Program PWSCF v.5.1.1 starts on 24May2015 at 10:49:20 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./CrI2.save/ file Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 72 31 8 2327 640 100 Max 73 32 9 2330 661 105 Sum 3467 1489 431 111763 31393 4937 bravais-lattice index = 14 lattice parameter (alat) = 13.3651 a.u. unit-cell volume = 677.4455 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 49.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.365108 celldm(2)= 1.000000 celldm(3)= 1.061151 celldm(4)= 0.831347 celldm(5)= 0.831347 celldm(6)= 0.845693 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.845693 0.533670 0.000000 ) a(3) = ( 0.882184 0.255078 0.531721 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.584672 -0.898909 ) b(2) = ( 0.000000 1.873816 -0.898909 ) b(3) = ( 0.000000 0.000000 1.880685 ) PseudoPot. # 1 for Cr read from file: /home/autes/Pseudo/Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5eb7f017135fb502322d448d1515490d Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1183 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 Cr 14.00 51.99610 Cr( 1.00) I 7.00 126.90450 I( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0106383 0.0030760 -0.0191257), wk = 0.0026455 k( 3) = ( 0.0212766 0.0061520 -0.0382515), wk = 0.0026455 k( 4) = ( 0.0319149 0.0092280 -0.0573772), wk = 0.0026455 k( 5) = ( 0.0425532 0.0123040 -0.0765029), wk = 0.0026455 k( 6) = ( 0.0531915 0.0153800 -0.0956287), wk = 0.0026455 k( 7) = ( 0.0638298 0.0184560 -0.1147544), wk = 0.0026455 k( 8) = ( 0.0744681 0.0215320 -0.1338801), wk = 0.0026455 k( 9) = ( 0.0851064 0.0246080 -0.1530059), wk = 0.0026455 k( 10) = ( 0.0957447 0.0276840 -0.1721316), wk = 0.0026455 k( 11) = ( 0.1063830 0.0307600 -0.1912573), wk = 0.0026455 k( 12) = ( 0.1170213 0.0338360 -0.2103831), wk = 0.0026455 k( 13) = ( 0.1276596 0.0369120 -0.2295088), wk = 0.0026455 k( 14) = ( 0.1382979 0.0399880 -0.2486345), wk = 0.0026455 k( 15) = ( 0.1489362 0.0430640 -0.2677603), wk = 0.0026455 k( 16) = ( 0.1595745 0.0461399 -0.2868860), wk = 0.0026455 k( 17) = ( 0.1702128 0.0492159 -0.3060117), wk = 0.0026455 k( 18) = ( 0.1808511 0.0522919 -0.3251375), wk = 0.0026455 k( 19) = ( 0.1914894 0.0553679 -0.3442632), wk = 0.0026455 k( 20) = ( 0.2021277 0.0584439 -0.3633889), wk = 0.0026455 k( 21) = ( 0.2127660 0.0615199 -0.3825147), wk = 0.0026455 k( 22) = ( 0.2234043 0.0645959 -0.4016404), wk = 0.0026455 k( 23) = ( 0.2340425 0.0676719 -0.4207661), wk = 0.0026455 k( 24) = ( 0.2446809 0.0707479 -0.4398919), wk = 0.0026455 k( 25) = ( 0.2553191 0.0738239 -0.4590176), wk = 0.0026455 k( 26) = ( 0.2659574 0.0768999 -0.4781433), wk = 0.0026455 k( 27) = ( 0.2765957 0.0799759 -0.4972691), wk = 0.0026455 k( 28) = ( 0.2872340 0.0830519 -0.5163948), wk = 0.0026455 k( 29) = ( 0.2978723 0.0861279 -0.5355205), wk = 0.0026455 k( 30) = ( 0.3085106 0.0892039 -0.5546463), wk = 0.0026455 k( 31) = ( 0.3191489 0.0922799 -0.5737720), wk = 0.0026455 k( 32) = ( 0.3297872 0.0953559 -0.5928977), wk = 0.0026455 k( 33) = ( 0.3404255 0.0984319 -0.6120235), wk = 0.0026455 k( 34) = ( 0.3510638 0.1015079 -0.6311492), wk = 0.0026455 k( 35) = ( 0.3617021 0.1045839 -0.6502749), wk = 0.0026455 k( 36) = ( 0.3723404 0.1076599 -0.6694007), wk = 0.0026455 k( 37) = ( 0.3829787 0.1107359 -0.6885264), wk = 0.0026455 k( 38) = ( 0.3936170 0.1138119 -0.7076521), wk = 0.0026455 k( 39) = ( 0.4042553 0.1168879 -0.7267779), wk = 0.0026455 k( 40) = ( 0.4148936 0.1199639 -0.7459036), wk = 0.0026455 k( 41) = ( 0.4255319 0.1230399 -0.7650293), wk = 0.0026455 k( 42) = ( 0.4361702 0.1261159 -0.7841551), wk = 0.0026455 k( 43) = ( 0.4468085 0.1291919 -0.8032808), wk = 0.0026455 k( 44) = ( 0.4574468 0.1322679 -0.8224065), wk = 0.0026455 k( 45) = ( 0.4680851 0.1353439 -0.8415323), wk = 0.0026455 k( 46) = ( 0.4787234 0.1384198 -0.8606580), wk = 0.0026455 k( 47) = ( 0.4893617 0.1414958 -0.8797837), wk = 0.0026455 k( 48) = ( 0.5000000 0.1445718 -0.8989095), wk = 0.0026455 k( 49) = ( 0.5000000 0.1445718 -0.8989095), wk = 0.0026455 k( 50) = ( 0.5171855 0.1495409 -0.8885512), wk = 0.0026455 k( 51) = ( 0.5343711 0.1545100 -0.8781929), wk = 0.0026455 k( 52) = ( 0.5515567 0.1594791 -0.8678346), wk = 0.0026455 k( 53) = ( 0.5687422 0.1644482 -0.8574763), wk = 0.0026455 k( 54) = ( 0.5687422 0.1644482 -0.8574763), wk = 0.0026455 k( 55) = ( 0.5670656 0.1639634 -0.8355517), wk = 0.0026455 k( 56) = ( 0.5653889 0.1634786 -0.8136270), wk = 0.0026455 k( 57) = ( 0.5637123 0.1629938 -0.7917024), wk = 0.0026455 k( 58) = ( 0.5620357 0.1625091 -0.7697778), wk = 0.0026455 k( 59) = ( 0.5603590 0.1620243 -0.7478532), wk = 0.0026455 k( 60) = ( 0.5586824 0.1615395 -0.7259286), wk = 0.0026455 k( 61) = ( 0.5570057 0.1610547 -0.7040039), wk = 0.0026455 k( 62) = ( 0.5553291 0.1605699 -0.6820793), wk = 0.0026455 k( 63) = ( 0.5536525 0.1600851 -0.6601547), wk = 0.0026455 k( 64) = ( 0.5519758 0.1596003 -0.6382301), wk = 0.0026455 k( 65) = ( 0.5502992 0.1591155 -0.6163054), wk = 0.0026455 k( 66) = ( 0.5486225 0.1586307 -0.5943808), wk = 0.0026455 k( 67) = ( 0.5469459 0.1581460 -0.5724562), wk = 0.0026455 k( 68) = ( 0.5452693 0.1576612 -0.5505316), wk = 0.0026455 k( 69) = ( 0.5435926 0.1571764 -0.5286070), wk = 0.0026455 k( 70) = ( 0.5419160 0.1566916 -0.5066823), wk = 0.0026455 k( 71) = ( 0.5402394 0.1562068 -0.4847577), wk = 0.0026455 k( 72) = ( 0.5385627 0.1557220 -0.4628331), wk = 0.0026455 k( 73) = ( 0.5368861 0.1552372 -0.4409085), wk = 0.0026455 k( 74) = ( 0.5352094 0.1547524 -0.4189839), wk = 0.0026455 k( 75) = ( 0.5335328 0.1542676 -0.3970592), wk = 0.0026455 k( 76) = ( 0.5318561 0.1537828 -0.3751346), wk = 0.0026455 k( 77) = ( 0.5301795 0.1532981 -0.3532100), wk = 0.0026455 k( 78) = ( 0.5285029 0.1528133 -0.3312854), wk = 0.0026455 k( 79) = ( 0.5268262 0.1523285 -0.3093608), wk = 0.0026455 k( 80) = ( 0.5251496 0.1518437 -0.2874361), wk = 0.0026455 k( 81) = ( 0.5234730 0.1513589 -0.2655115), wk = 0.0026455 k( 82) = ( 0.5217963 0.1508741 -0.2435869), wk = 0.0026455 k( 83) = ( 0.5201197 0.1503893 -0.2216623), wk = 0.0026455 k( 84) = ( 0.5184430 0.1499045 -0.1997376), wk = 0.0026455 k( 85) = ( 0.5167664 0.1494197 -0.1778130), wk = 0.0026455 k( 86) = ( 0.5150898 0.1489349 -0.1558884), wk = 0.0026455 k( 87) = ( 0.5134131 0.1484502 -0.1339638), wk = 0.0026455 k( 88) = ( 0.5117365 0.1479654 -0.1120392), wk = 0.0026455 k( 89) = ( 0.5100598 0.1474806 -0.0901146), wk = 0.0026455 k( 90) = ( 0.5083832 0.1469958 -0.0681899), wk = 0.0026455 k( 91) = ( 0.5067066 0.1465110 -0.0462653), wk = 0.0026455 k( 92) = ( 0.5050299 0.1460262 -0.0243407), wk = 0.0026455 k( 93) = ( 0.5033533 0.1455414 -0.0024161), wk = 0.0026455 k( 94) = ( 0.5016766 0.1450566 0.0195086), wk = 0.0026455 k( 95) = ( 0.5000000 0.1445718 0.0414332), wk = 0.0026455 k( 96) = ( 0.5000000 0.1445718 0.0414332), wk = 0.0026455 k( 97) = ( 0.5061914 0.1231588 0.0414332), wk = 0.0026455 k( 98) = ( 0.5123829 0.1017458 0.0414332), wk = 0.0026455 k( 99) = ( 0.5185743 0.0803327 0.0414332), wk = 0.0026455 k( 100) = ( 0.5247658 0.0589197 0.0414332), wk = 0.0026455 k( 101) = ( 0.5309572 0.0375067 0.0414332), wk = 0.0026455 k( 102) = ( 0.5371487 0.0160936 0.0414332), wk = 0.0026455 k( 103) = ( 0.5433401 -0.0053194 0.0414332), wk = 0.0026455 k( 104) = ( 0.5495315 -0.0267324 0.0414332), wk = 0.0026455 k( 105) = ( 0.5557230 -0.0481454 0.0414332), wk = 0.0026455 k( 106) = ( 0.5619144 -0.0695585 0.0414332), wk = 0.0026455 k( 107) = ( 0.5681059 -0.0909715 0.0414332), wk = 0.0026455 k( 108) = ( 0.5742973 -0.1123845 0.0414332), wk = 0.0026455 k( 109) = ( 0.5804888 -0.1337976 0.0414332), wk = 0.0026455 k( 110) = ( 0.5866802 -0.1552106 0.0414332), wk = 0.0026455 k( 111) = ( 0.5928716 -0.1766236 0.0414332), wk = 0.0026455 k( 112) = ( 0.5990631 -0.1980367 0.0414332), wk = 0.0026455 k( 113) = ( 0.6052545 -0.2194497 0.0414332), wk = 0.0026455 k( 114) = ( 0.6114460 -0.2408627 0.0414332), wk = 0.0026455 k( 115) = ( 0.6176374 -0.2622758 0.0414332), wk = 0.0026455 k( 116) = ( 0.6238289 -0.2836888 0.0414332), wk = 0.0026455 k( 117) = ( 0.6300203 -0.3051018 0.0414332), wk = 0.0026455 k( 118) = ( 0.6362117 -0.3265149 0.0414332), wk = 0.0026455 k( 119) = ( 0.6424032 -0.3479279 0.0414332), wk = 0.0026455 k( 120) = ( 0.6485946 -0.3693409 0.0414332), wk = 0.0026455 k( 121) = ( 0.6547861 -0.3907540 0.0414332), wk = 0.0026455 k( 122) = ( 0.6609775 -0.4121670 0.0414332), wk = 0.0026455 k( 123) = ( 0.6671689 -0.4335800 0.0414332), wk = 0.0026455 k( 124) = ( 0.6733604 -0.4549931 0.0414332), wk = 0.0026455 k( 125) = ( 0.6795518 -0.4764061 0.0414332), wk = 0.0026455 k( 126) = ( 0.6857433 -0.4978191 0.0414332), wk = 0.0026455 k( 127) = ( 0.6919347 -0.5192322 0.0414332), wk = 0.0026455 k( 128) = ( 0.6981262 -0.5406452 0.0414332), wk = 0.0026455 k( 129) = ( 0.7043176 -0.5620582 0.0414332), wk = 0.0026455 k( 130) = ( 0.7105090 -0.5834712 0.0414332), wk = 0.0026455 k( 131) = ( 0.7167005 -0.6048843 0.0414332), wk = 0.0026455 k( 132) = ( 0.7228919 -0.6262973 0.0414332), wk = 0.0026455 k( 133) = ( 0.7290834 -0.6477103 0.0414332), wk = 0.0026455 k( 134) = ( 0.7352748 -0.6691234 0.0414332), wk = 0.0026455 k( 135) = ( 0.7414663 -0.6905364 0.0414332), wk = 0.0026455 k( 136) = ( 0.7476577 -0.7119494 0.0414332), wk = 0.0026455 k( 137) = ( 0.7538491 -0.7333625 0.0414332), wk = 0.0026455 k( 138) = ( 0.7600406 -0.7547755 0.0414332), wk = 0.0026455 k( 139) = ( 0.7662320 -0.7761885 0.0414332), wk = 0.0026455 k( 140) = ( 0.7724235 -0.7976016 0.0414332), wk = 0.0026455 k( 141) = ( 0.7786149 -0.8190146 0.0414332), wk = 0.0026455 k( 142) = ( 0.7848064 -0.8404276 0.0414332), wk = 0.0026455 k( 143) = ( 0.7909978 -0.8618407 0.0414332), wk = 0.0026455 k( 144) = ( 0.7971892 -0.8832537 0.0414332), wk = 0.0026455 k( 145) = ( 0.2028108 -0.7014186 0.9403426), wk = 0.0026455 k( 146) = ( 0.1966650 -0.6801635 0.9403426), wk = 0.0026455 k( 147) = ( 0.1905192 -0.6589084 0.9403426), wk = 0.0026455 k( 148) = ( 0.1843734 -0.6376533 0.9403426), wk = 0.0026455 k( 149) = ( 0.1782276 -0.6163982 0.9403426), wk = 0.0026455 k( 150) = ( 0.1720819 -0.5951430 0.9403426), wk = 0.0026455 k( 151) = ( 0.1659361 -0.5738879 0.9403426), wk = 0.0026455 k( 152) = ( 0.1597903 -0.5526328 0.9403426), wk = 0.0026455 k( 153) = ( 0.1536445 -0.5313777 0.9403426), wk = 0.0026455 k( 154) = ( 0.1474987 -0.5101226 0.9403426), wk = 0.0026455 k( 155) = ( 0.1413529 -0.4888675 0.9403426), wk = 0.0026455 k( 156) = ( 0.1352072 -0.4676124 0.9403426), wk = 0.0026455 k( 157) = ( 0.1290614 -0.4463573 0.9403426), wk = 0.0026455 k( 158) = ( 0.1229156 -0.4251022 0.9403426), wk = 0.0026455 k( 159) = ( 0.1167698 -0.4038470 0.9403426), wk = 0.0026455 k( 160) = ( 0.1106240 -0.3825919 0.9403426), wk = 0.0026455 k( 161) = ( 0.1044783 -0.3613368 0.9403426), wk = 0.0026455 k( 162) = ( 0.0983325 -0.3400817 0.9403426), wk = 0.0026455 k( 163) = ( 0.0921867 -0.3188266 0.9403426), wk = 0.0026455 k( 164) = ( 0.0860409 -0.2975715 0.9403426), wk = 0.0026455 k( 165) = ( 0.0798951 -0.2763164 0.9403426), wk = 0.0026455 k( 166) = ( 0.0737494 -0.2550613 0.9403426), wk = 0.0026455 k( 167) = ( 0.0676036 -0.2338062 0.9403426), wk = 0.0026455 k( 168) = ( 0.0614578 -0.2125511 0.9403426), wk = 0.0026455 k( 169) = ( 0.0553120 -0.1912960 0.9403426), wk = 0.0026455 k( 170) = ( 0.0491662 -0.1700409 0.9403426), wk = 0.0026455 k( 171) = ( 0.0430205 -0.1487858 0.9403426), wk = 0.0026455 k( 172) = ( 0.0368747 -0.1275306 0.9403426), wk = 0.0026455 k( 173) = ( 0.0307289 -0.1062755 0.9403426), wk = 0.0026455 k( 174) = ( 0.0245831 -0.0850204 0.9403426), wk = 0.0026455 k( 175) = ( 0.0184373 -0.0637653 0.9403426), wk = 0.0026455 k( 176) = ( 0.0122916 -0.0425102 0.9403426), wk = 0.0026455 k( 177) = ( 0.0061458 -0.0212551 0.9403426), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.9403426), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.9403426), wk = 0.0026455 k( 180) = ( 0.0215629 0.0062348 0.9403426), wk = 0.0026455 k( 181) = ( 0.0431258 0.0124695 0.9403426), wk = 0.0026455 k( 182) = ( 0.0646887 0.0187043 0.9403426), wk = 0.0026455 k( 183) = ( 0.0862516 0.0249391 0.9403426), wk = 0.0026455 k( 184) = ( 0.1078145 0.0311739 0.9403426), wk = 0.0026455 k( 185) = ( 0.1293773 0.0374086 0.9403426), wk = 0.0026455 k( 186) = ( 0.1509402 0.0436434 0.9403426), wk = 0.0026455 k( 187) = ( 0.1725031 0.0498782 0.9403426), wk = 0.0026455 k( 188) = ( 0.1940660 0.0561130 0.9403426), wk = 0.0026455 k( 189) = ( 0.2156289 0.0623477 0.9403426), wk = 0.0026455 k( 190) = ( 0.2371918 0.0685825 0.9403426), wk = 0.0026455 k( 191) = ( 0.2587547 0.0748173 0.9403426), wk = 0.0026455 k( 192) = ( 0.2803176 0.0810521 0.9403426), wk = 0.0026455 k( 193) = ( 0.3018805 0.0872868 0.9403426), wk = 0.0026455 k( 194) = ( 0.3234433 0.0935216 0.9403426), wk = 0.0026455 k( 195) = ( 0.3450062 0.0997564 0.9403426), wk = 0.0026455 k( 196) = ( 0.3665691 0.1059911 0.9403426), wk = 0.0026455 k( 197) = ( 0.3881320 0.1122259 0.9403426), wk = 0.0026455 k( 198) = ( 0.4096949 0.1184607 0.9403426), wk = 0.0026455 k( 199) = ( 0.4312578 0.1246955 0.9403426), wk = 0.0026455 k( 200) = ( 0.5000000 0.1445718 -0.8989095), wk = 0.0026455 k( 201) = ( 0.5061761 0.1232117 -0.8989095), wk = 0.0026455 k( 202) = ( 0.5123523 0.1018516 -0.8989095), wk = 0.0026455 k( 203) = ( 0.5185284 0.0804915 -0.8989095), wk = 0.0026455 k( 204) = ( 0.5247046 0.0591314 -0.8989095), wk = 0.0026455 k( 205) = ( 0.5308807 0.0377713 -0.8989095), wk = 0.0026455 k( 206) = ( 0.5370569 0.0164112 -0.8989095), wk = 0.0026455 k( 207) = ( 0.5432330 -0.0049490 -0.8989095), wk = 0.0026455 k( 208) = ( 0.5494091 -0.0263091 -0.8989095), wk = 0.0026455 k( 209) = ( 0.5555853 -0.0476692 -0.8989095), wk = 0.0026455 k( 210) = ( 0.5617614 -0.0690293 -0.8989095), wk = 0.0026455 k( 211) = ( 0.5679376 -0.0903894 -0.8989095), wk = 0.0026455 k( 212) = ( 0.5741137 -0.1117496 -0.8989095), wk = 0.0026455 k( 213) = ( 0.5802898 -0.1331097 -0.8989095), wk = 0.0026455 k( 214) = ( 0.5864660 -0.1544698 -0.8989095), wk = 0.0026455 k( 215) = ( 0.5926421 -0.1758299 -0.8989095), wk = 0.0026455 k( 216) = ( 0.5988183 -0.1971900 -0.8989095), wk = 0.0026455 k( 217) = ( 0.6049944 -0.2185501 -0.8989095), wk = 0.0026455 k( 218) = ( 0.6111706 -0.2399102 -0.8989095), wk = 0.0026455 k( 219) = ( 0.6173467 -0.2612703 -0.8989095), wk = 0.0026455 k( 220) = ( 0.6235228 -0.2826305 -0.8989095), wk = 0.0026455 k( 221) = ( 0.6296990 -0.3039906 -0.8989095), wk = 0.0026455 k( 222) = ( 0.6358751 -0.3253507 -0.8989095), wk = 0.0026455 k( 223) = ( 0.6420513 -0.3467108 -0.8989095), wk = 0.0026455 k( 224) = ( 0.6482274 -0.3680709 -0.8989095), wk = 0.0026455 k( 225) = ( 0.6544036 -0.3894311 -0.8989095), wk = 0.0026455 k( 226) = ( 0.6605797 -0.4107912 -0.8989095), wk = 0.0026455 k( 227) = ( 0.6667558 -0.4321513 -0.8989095), wk = 0.0026455 k( 228) = ( 0.3332442 -1.1525210 -0.0000000), wk = 0.0026455 k( 229) = ( 0.3270730 -1.1311780 -0.0000000), wk = 0.0026455 k( 230) = ( 0.3209018 -1.1098350 -0.0000000), wk = 0.0026455 k( 231) = ( 0.3147306 -1.0884920 -0.0000000), wk = 0.0026455 k( 232) = ( 0.3085594 -1.0671491 -0.0000000), wk = 0.0026455 k( 233) = ( 0.3023882 -1.0458061 -0.0000000), wk = 0.0026455 k( 234) = ( 0.2962170 -1.0244631 -0.0000000), wk = 0.0026455 k( 235) = ( 0.2900458 -1.0031201 -0.0000000), wk = 0.0026455 k( 236) = ( 0.2838747 -0.9817771 -0.0000000), wk = 0.0026455 k( 237) = ( 0.2777035 -0.9604341 -0.0000000), wk = 0.0026455 k( 238) = ( 0.2715323 -0.9390912 -0.0000000), wk = 0.0026455 k( 239) = ( 0.2653611 -0.9177482 -0.0000000), wk = 0.0026455 k( 240) = ( 0.2591899 -0.8964052 -0.0000000), wk = 0.0026455 k( 241) = ( 0.2530187 -0.8750622 -0.0000000), wk = 0.0026455 k( 242) = ( 0.2468475 -0.8537192 -0.0000000), wk = 0.0026455 k( 243) = ( 0.2406763 -0.8323763 -0.0000000), wk = 0.0026455 k( 244) = ( 0.2345051 -0.8110333 -0.0000000), wk = 0.0026455 k( 245) = ( 0.2283340 -0.7896903 -0.0000000), wk = 0.0026455 k( 246) = ( 0.2221628 -0.7683473 -0.0000000), wk = 0.0026455 k( 247) = ( 0.2159916 -0.7470043 -0.0000000), wk = 0.0026455 k( 248) = ( 0.2098204 -0.7256614 -0.0000000), wk = 0.0026455 k( 249) = ( 0.2036492 -0.7043184 -0.0000000), wk = 0.0026455 k( 250) = ( 0.1974780 -0.6829754 -0.0000000), wk = 0.0026455 k( 251) = ( 0.1913068 -0.6616324 -0.0000000), wk = 0.0026455 k( 252) = ( 0.1851356 -0.6402894 -0.0000000), wk = 0.0026455 k( 253) = ( 0.1789644 -0.6189464 -0.0000000), wk = 0.0026455 k( 254) = ( 0.1727933 -0.5976035 -0.0000000), wk = 0.0026455 k( 255) = ( 0.1666221 -0.5762605 -0.0000000), wk = 0.0026455 k( 256) = ( 0.1604509 -0.5549175 -0.0000000), wk = 0.0026455 k( 257) = ( 0.1542797 -0.5335745 -0.0000000), wk = 0.0026455 k( 258) = ( 0.1481085 -0.5122315 -0.0000000), wk = 0.0026455 k( 259) = ( 0.1419373 -0.4908886 -0.0000000), wk = 0.0026455 k( 260) = ( 0.1357661 -0.4695456 -0.0000000), wk = 0.0026455 k( 261) = ( 0.1295949 -0.4482026 -0.0000000), wk = 0.0026455 k( 262) = ( 0.1234238 -0.4268596 -0.0000000), wk = 0.0026455 k( 263) = ( 0.1172526 -0.4055166 -0.0000000), wk = 0.0026455 k( 264) = ( 0.1110814 -0.3841737 -0.0000000), wk = 0.0026455 k( 265) = ( 0.1049102 -0.3628307 -0.0000000), wk = 0.0026455 k( 266) = ( 0.0987390 -0.3414877 -0.0000000), wk = 0.0026455 k( 267) = ( 0.0925678 -0.3201447 -0.0000000), wk = 0.0026455 k( 268) = ( 0.0863966 -0.2988017 -0.0000000), wk = 0.0026455 k( 269) = ( 0.0802255 -0.2774588 -0.0000000), wk = 0.0026455 k( 270) = ( 0.0740543 -0.2561158 -0.0000000), wk = 0.0026455 k( 271) = ( 0.0678831 -0.2347728 -0.0000000), wk = 0.0026455 k( 272) = ( 0.0617119 -0.2134298 -0.0000000), wk = 0.0026455 k( 273) = ( 0.0555407 -0.1920868 -0.0000000), wk = 0.0026455 k( 274) = ( 0.0493695 -0.1707438 -0.0000000), wk = 0.0026455 k( 275) = ( 0.0431983 -0.1494009 -0.0000000), wk = 0.0026455 k( 276) = ( 0.0370271 -0.1280579 -0.0000000), wk = 0.0026455 k( 277) = ( 0.0308559 -0.1067149 -0.0000000), wk = 0.0026455 k( 278) = ( 0.0246847 -0.0853719 -0.0000000), wk = 0.0026455 k( 279) = ( 0.0185136 -0.0640289 -0.0000000), wk = 0.0026455 k( 280) = ( 0.0123424 -0.0426860 -0.0000000), wk = 0.0026455 k( 281) = ( 0.0061712 -0.0213430 -0.0000000), wk = 0.0026455 k( 282) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 284) = ( 0.0106383 -0.0168582 -0.0095629), wk = 0.0026455 k( 285) = ( 0.0212766 -0.0337164 -0.0191257), wk = 0.0026455 k( 286) = ( 0.0319149 -0.0505746 -0.0286886), wk = 0.0026455 k( 287) = ( 0.0425532 -0.0674329 -0.0382515), wk = 0.0026455 k( 288) = ( 0.0531915 -0.0842911 -0.0478143), wk = 0.0026455 k( 289) = ( 0.0638298 -0.1011493 -0.0573772), wk = 0.0026455 k( 290) = ( 0.0744681 -0.1180075 -0.0669401), wk = 0.0026455 k( 291) = ( 0.0851064 -0.1348657 -0.0765029), wk = 0.0026455 k( 292) = ( 0.0957447 -0.1517239 -0.0860658), wk = 0.0026455 k( 293) = ( 0.1063830 -0.1685822 -0.0956287), wk = 0.0026455 k( 294) = ( 0.1170213 -0.1854404 -0.1051915), wk = 0.0026455 k( 295) = ( 0.1276596 -0.2022986 -0.1147544), wk = 0.0026455 k( 296) = ( 0.1382979 -0.2191568 -0.1243173), wk = 0.0026455 k( 297) = ( 0.1489362 -0.2360150 -0.1338801), wk = 0.0026455 k( 298) = ( 0.1595745 -0.2528732 -0.1434430), wk = 0.0026455 k( 299) = ( 0.1702128 -0.2697315 -0.1530059), wk = 0.0026455 k( 300) = ( 0.1808511 -0.2865897 -0.1625687), wk = 0.0026455 k( 301) = ( 0.1914894 -0.3034479 -0.1721316), wk = 0.0026455 k( 302) = ( 0.2021277 -0.3203061 -0.1816945), wk = 0.0026455 k( 303) = ( 0.2127660 -0.3371643 -0.1912573), wk = 0.0026455 k( 304) = ( 0.2234043 -0.3540225 -0.2008202), wk = 0.0026455 k( 305) = ( 0.2340425 -0.3708807 -0.2103831), wk = 0.0026455 k( 306) = ( 0.2446809 -0.3877390 -0.2199459), wk = 0.0026455 k( 307) = ( 0.2553191 -0.4045972 -0.2295088), wk = 0.0026455 k( 308) = ( 0.2659574 -0.4214554 -0.2390717), wk = 0.0026455 k( 309) = ( 0.2765957 -0.4383136 -0.2486345), wk = 0.0026455 k( 310) = ( 0.2872340 -0.4551718 -0.2581974), wk = 0.0026455 k( 311) = ( 0.2978723 -0.4720300 -0.2677603), wk = 0.0026455 k( 312) = ( 0.3085106 -0.4888883 -0.2773231), wk = 0.0026455 k( 313) = ( 0.3191489 -0.5057465 -0.2868860), wk = 0.0026455 k( 314) = ( 0.3297872 -0.5226047 -0.2964489), wk = 0.0026455 k( 315) = ( 0.3404255 -0.5394629 -0.3060117), wk = 0.0026455 k( 316) = ( 0.3510638 -0.5563211 -0.3155746), wk = 0.0026455 k( 317) = ( 0.3617021 -0.5731793 -0.3251375), wk = 0.0026455 k( 318) = ( 0.3723404 -0.5900376 -0.3347003), wk = 0.0026455 k( 319) = ( 0.3829787 -0.6068958 -0.3442632), wk = 0.0026455 k( 320) = ( 0.3936170 -0.6237540 -0.3538261), wk = 0.0026455 k( 321) = ( 0.4042553 -0.6406122 -0.3633889), wk = 0.0026455 k( 322) = ( 0.4148936 -0.6574704 -0.3729518), wk = 0.0026455 k( 323) = ( 0.4255319 -0.6743286 -0.3825147), wk = 0.0026455 k( 324) = ( 0.4361702 -0.6911868 -0.3920775), wk = 0.0026455 k( 325) = ( 0.4468085 -0.7080451 -0.4016404), wk = 0.0026455 k( 326) = ( 0.4574468 -0.7249033 -0.4112033), wk = 0.0026455 k( 327) = ( 0.4680851 -0.7417615 -0.4207661), wk = 0.0026455 k( 328) = ( 0.4787234 -0.7586197 -0.4303290), wk = 0.0026455 k( 329) = ( 0.4893617 -0.7754779 -0.4398919), wk = 0.0026455 k( 330) = ( 0.5000000 -0.7923361 -0.4494547), wk = 0.0026455 k( 331) = ( 0.5000000 -0.7923361 0.4908879), wk = 0.0026455 k( 332) = ( 0.4893617 -0.7754779 0.4804435), wk = 0.0026455 k( 333) = ( 0.4787234 -0.7586197 0.4699991), wk = 0.0026455 k( 334) = ( 0.4680851 -0.7417615 0.4595546), wk = 0.0026455 k( 335) = ( 0.4574468 -0.7249033 0.4491102), wk = 0.0026455 k( 336) = ( 0.4468085 -0.7080451 0.4386658), wk = 0.0026455 k( 337) = ( 0.4361702 -0.6911868 0.4282214), wk = 0.0026455 k( 338) = ( 0.4255319 -0.6743286 0.4177769), wk = 0.0026455 k( 339) = ( 0.4148936 -0.6574704 0.4073325), wk = 0.0026455 k( 340) = ( 0.4042553 -0.6406122 0.3968881), wk = 0.0026455 k( 341) = ( 0.3936170 -0.6237540 0.3864437), wk = 0.0026455 k( 342) = ( 0.3829787 -0.6068958 0.3759992), wk = 0.0026455 k( 343) = ( 0.3723404 -0.5900376 0.3655548), wk = 0.0026455 k( 344) = ( 0.3617021 -0.5731793 0.3551104), wk = 0.0026455 k( 345) = ( 0.3510638 -0.5563211 0.3446660), wk = 0.0026455 k( 346) = ( 0.3404255 -0.5394629 0.3342216), wk = 0.0026455 k( 347) = ( 0.3297872 -0.5226047 0.3237771), wk = 0.0026455 k( 348) = ( 0.3191489 -0.5057465 0.3133327), wk = 0.0026455 k( 349) = ( 0.3085106 -0.4888883 0.3028883), wk = 0.0026455 k( 350) = ( 0.2978723 -0.4720300 0.2924439), wk = 0.0026455 k( 351) = ( 0.2872340 -0.4551718 0.2819994), wk = 0.0026455 k( 352) = ( 0.2765957 -0.4383136 0.2715550), wk = 0.0026455 k( 353) = ( 0.2659574 -0.4214554 0.2611106), wk = 0.0026455 k( 354) = ( 0.2553191 -0.4045972 0.2506662), wk = 0.0026455 k( 355) = ( 0.2446809 -0.3877390 0.2402217), wk = 0.0026455 k( 356) = ( 0.2340425 -0.3708807 0.2297773), wk = 0.0026455 k( 357) = ( 0.2234043 -0.3540225 0.2193329), wk = 0.0026455 k( 358) = ( 0.2127660 -0.3371643 0.2088885), wk = 0.0026455 k( 359) = ( 0.2021277 -0.3203061 0.1984440), wk = 0.0026455 k( 360) = ( 0.1914894 -0.3034479 0.1879996), wk = 0.0026455 k( 361) = ( 0.1808511 -0.2865897 0.1775552), wk = 0.0026455 k( 362) = ( 0.1702128 -0.2697315 0.1671108), wk = 0.0026455 k( 363) = ( 0.1595745 -0.2528732 0.1566664), wk = 0.0026455 k( 364) = ( 0.1489362 -0.2360150 0.1462219), wk = 0.0026455 k( 365) = ( 0.1382979 -0.2191568 0.1357775), wk = 0.0026455 k( 366) = ( 0.1276596 -0.2022986 0.1253331), wk = 0.0026455 k( 367) = ( 0.1170213 -0.1854404 0.1148887), wk = 0.0026455 k( 368) = ( 0.1063830 -0.1685822 0.1044442), wk = 0.0026455 k( 369) = ( 0.0957447 -0.1517239 0.0939998), wk = 0.0026455 k( 370) = ( 0.0851064 -0.1348657 0.0835554), wk = 0.0026455 k( 371) = ( 0.0744681 -0.1180075 0.0731110), wk = 0.0026455 k( 372) = ( 0.0638298 -0.1011493 0.0626665), wk = 0.0026455 k( 373) = ( 0.0531915 -0.0842911 0.0522221), wk = 0.0026455 k( 374) = ( 0.0425532 -0.0674329 0.0417777), wk = 0.0026455 k( 375) = ( 0.0319149 -0.0505746 0.0313333), wk = 0.0026455 k( 376) = ( 0.0212766 -0.0337164 0.0208889), wk = 0.0026455 k( 377) = ( 0.0106383 -0.0168582 0.0104444), wk = 0.0026455 k( 378) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0026455 k( 3) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0026455 k( 4) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0026455 k( 5) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0026455 k( 6) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0026455 k( 7) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0026455 k( 8) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0026455 k( 9) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0026455 k( 10) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0026455 k( 11) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0026455 k( 12) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0026455 k( 13) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0026455 k( 14) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0026455 k( 15) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0026455 k( 16) = ( 0.1595745 0.1595745 0.0000000), wk = 0.0026455 k( 17) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0026455 k( 18) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0026455 k( 19) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0026455 k( 20) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0026455 k( 21) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0026455 k( 22) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0026455 k( 23) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0026455 k( 24) = ( 0.2446809 0.2446808 0.0000000), wk = 0.0026455 k( 25) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0026455 k( 26) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0026455 k( 27) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0026455 k( 28) = ( 0.2872340 0.2872340 0.0000000), wk = 0.0026455 k( 29) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0026455 k( 30) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0026455 k( 31) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0026455 k( 32) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0026455 k( 33) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0026455 k( 34) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0026455 k( 35) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0026455 k( 36) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0026455 k( 37) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0026455 k( 38) = ( 0.3936170 0.3936170 0.0000000), wk = 0.0026455 k( 39) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0026455 k( 40) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0026455 k( 41) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0026455 k( 42) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0026455 k( 43) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0026455 k( 44) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0026455 k( 45) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0026455 k( 46) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0026455 k( 47) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0026455 k( 48) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 49) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 50) = ( 0.5171855 0.5171855 0.0219360), wk = 0.0026455 k( 51) = ( 0.5343711 0.5343711 0.0438721), wk = 0.0026455 k( 52) = ( 0.5515567 0.5515567 0.0658082), wk = 0.0026455 k( 53) = ( 0.5687422 0.5687422 0.0877442), wk = 0.0026455 k( 54) = ( 0.5687422 0.5687422 0.0877442), wk = 0.0026455 k( 55) = ( 0.5670656 0.5670656 0.0977992), wk = 0.0026455 k( 56) = ( 0.5653889 0.5653889 0.1078542), wk = 0.0026455 k( 57) = ( 0.5637123 0.5637123 0.1179093), wk = 0.0026455 k( 58) = ( 0.5620357 0.5620357 0.1279643), wk = 0.0026455 k( 59) = ( 0.5603590 0.5603590 0.1380193), wk = 0.0026455 k( 60) = ( 0.5586824 0.5586824 0.1480743), wk = 0.0026455 k( 61) = ( 0.5570057 0.5570057 0.1581293), wk = 0.0026455 k( 62) = ( 0.5553291 0.5553291 0.1681844), wk = 0.0026455 k( 63) = ( 0.5536525 0.5536525 0.1782394), wk = 0.0026455 k( 64) = ( 0.5519758 0.5519758 0.1882944), wk = 0.0026455 k( 65) = ( 0.5502992 0.5502992 0.1983494), wk = 0.0026455 k( 66) = ( 0.5486225 0.5486225 0.2084044), wk = 0.0026455 k( 67) = ( 0.5469459 0.5469459 0.2184595), wk = 0.0026455 k( 68) = ( 0.5452693 0.5452693 0.2285145), wk = 0.0026455 k( 69) = ( 0.5435926 0.5435926 0.2385695), wk = 0.0026455 k( 70) = ( 0.5419160 0.5419160 0.2486245), wk = 0.0026455 k( 71) = ( 0.5402394 0.5402394 0.2586795), wk = 0.0026455 k( 72) = ( 0.5385627 0.5385627 0.2687346), wk = 0.0026455 k( 73) = ( 0.5368861 0.5368861 0.2787896), wk = 0.0026455 k( 74) = ( 0.5352094 0.5352094 0.2888446), wk = 0.0026455 k( 75) = ( 0.5335328 0.5335328 0.2988996), wk = 0.0026455 k( 76) = ( 0.5318561 0.5318561 0.3089546), wk = 0.0026455 k( 77) = ( 0.5301795 0.5301795 0.3190097), wk = 0.0026455 k( 78) = ( 0.5285029 0.5285029 0.3290647), wk = 0.0026455 k( 79) = ( 0.5268262 0.5268262 0.3391197), wk = 0.0026455 k( 80) = ( 0.5251496 0.5251496 0.3491747), wk = 0.0026455 k( 81) = ( 0.5234730 0.5234729 0.3592297), wk = 0.0026455 k( 82) = ( 0.5217963 0.5217963 0.3692848), wk = 0.0026455 k( 83) = ( 0.5201197 0.5201197 0.3793398), wk = 0.0026455 k( 84) = ( 0.5184430 0.5184430 0.3893948), wk = 0.0026455 k( 85) = ( 0.5167664 0.5167664 0.3994498), wk = 0.0026455 k( 86) = ( 0.5150898 0.5150898 0.4095048), wk = 0.0026455 k( 87) = ( 0.5134131 0.5134131 0.4195599), wk = 0.0026455 k( 88) = ( 0.5117365 0.5117365 0.4296149), wk = 0.0026455 k( 89) = ( 0.5100598 0.5100598 0.4396699), wk = 0.0026455 k( 90) = ( 0.5083832 0.5083832 0.4497249), wk = 0.0026455 k( 91) = ( 0.5067066 0.5067066 0.4597799), wk = 0.0026455 k( 92) = ( 0.5050299 0.5050299 0.4698349), wk = 0.0026455 k( 93) = ( 0.5033533 0.5033533 0.4798900), wk = 0.0026455 k( 94) = ( 0.5016766 0.5016766 0.4899450), wk = 0.0026455 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 97) = ( 0.5061914 0.4938086 0.5000000), wk = 0.0026455 k( 98) = ( 0.5123829 0.4876171 0.5000000), wk = 0.0026455 k( 99) = ( 0.5185743 0.4814257 0.5000000), wk = 0.0026455 k( 100) = ( 0.5247658 0.4752342 0.5000000), wk = 0.0026455 k( 101) = ( 0.5309572 0.4690428 0.5000000), wk = 0.0026455 k( 102) = ( 0.5371487 0.4628513 0.5000000), wk = 0.0026455 k( 103) = ( 0.5433401 0.4566599 0.5000000), wk = 0.0026455 k( 104) = ( 0.5495315 0.4504685 0.5000000), wk = 0.0026455 k( 105) = ( 0.5557230 0.4442770 0.5000000), wk = 0.0026455 k( 106) = ( 0.5619144 0.4380856 0.5000000), wk = 0.0026455 k( 107) = ( 0.5681059 0.4318941 0.5000000), wk = 0.0026455 k( 108) = ( 0.5742973 0.4257027 0.5000000), wk = 0.0026455 k( 109) = ( 0.5804888 0.4195112 0.5000000), wk = 0.0026455 k( 110) = ( 0.5866802 0.4133198 0.5000000), wk = 0.0026455 k( 111) = ( 0.5928716 0.4071284 0.5000000), wk = 0.0026455 k( 112) = ( 0.5990631 0.4009369 0.5000000), wk = 0.0026455 k( 113) = ( 0.6052545 0.3947455 0.5000000), wk = 0.0026455 k( 114) = ( 0.6114460 0.3885540 0.5000000), wk = 0.0026455 k( 115) = ( 0.6176374 0.3823626 0.5000000), wk = 0.0026455 k( 116) = ( 0.6238289 0.3761711 0.5000000), wk = 0.0026455 k( 117) = ( 0.6300203 0.3699797 0.5000000), wk = 0.0026455 k( 118) = ( 0.6362117 0.3637883 0.5000000), wk = 0.0026455 k( 119) = ( 0.6424032 0.3575968 0.5000000), wk = 0.0026455 k( 120) = ( 0.6485946 0.3514054 0.5000000), wk = 0.0026455 k( 121) = ( 0.6547861 0.3452139 0.5000000), wk = 0.0026455 k( 122) = ( 0.6609775 0.3390225 0.5000000), wk = 0.0026455 k( 123) = ( 0.6671689 0.3328311 0.5000000), wk = 0.0026455 k( 124) = ( 0.6733604 0.3266396 0.5000000), wk = 0.0026455 k( 125) = ( 0.6795518 0.3204482 0.5000000), wk = 0.0026455 k( 126) = ( 0.6857433 0.3142567 0.5000000), wk = 0.0026455 k( 127) = ( 0.6919347 0.3080653 0.5000000), wk = 0.0026455 k( 128) = ( 0.6981262 0.3018738 0.5000000), wk = 0.0026455 k( 129) = ( 0.7043176 0.2956824 0.5000000), wk = 0.0026455 k( 130) = ( 0.7105090 0.2894910 0.5000000), wk = 0.0026455 k( 131) = ( 0.7167005 0.2832995 0.5000000), wk = 0.0026455 k( 132) = ( 0.7228919 0.2771081 0.5000000), wk = 0.0026455 k( 133) = ( 0.7290834 0.2709166 0.5000000), wk = 0.0026455 k( 134) = ( 0.7352748 0.2647252 0.5000000), wk = 0.0026455 k( 135) = ( 0.7414663 0.2585337 0.5000000), wk = 0.0026455 k( 136) = ( 0.7476577 0.2523423 0.5000000), wk = 0.0026455 k( 137) = ( 0.7538491 0.2461509 0.5000000), wk = 0.0026455 k( 138) = ( 0.7600406 0.2399594 0.5000000), wk = 0.0026455 k( 139) = ( 0.7662320 0.2337680 0.5000000), wk = 0.0026455 k( 140) = ( 0.7724235 0.2275765 0.5000000), wk = 0.0026455 k( 141) = ( 0.7786149 0.2213851 0.5000000), wk = 0.0026455 k( 142) = ( 0.7848064 0.2151936 0.5000000), wk = 0.0026455 k( 143) = ( 0.7909978 0.2090022 0.5000000), wk = 0.0026455 k( 144) = ( 0.7971892 0.2028108 0.5000000), wk = 0.0026455 k( 145) = ( 0.2028108 -0.2028108 0.5000000), wk = 0.0026455 k( 146) = ( 0.1966650 -0.1966650 0.5000000), wk = 0.0026455 k( 147) = ( 0.1905192 -0.1905192 0.5000000), wk = 0.0026455 k( 148) = ( 0.1843734 -0.1843734 0.5000000), wk = 0.0026455 k( 149) = ( 0.1782276 -0.1782276 0.5000000), wk = 0.0026455 k( 150) = ( 0.1720819 -0.1720818 0.5000000), wk = 0.0026455 k( 151) = ( 0.1659361 -0.1659361 0.5000000), wk = 0.0026455 k( 152) = ( 0.1597903 -0.1597903 0.5000000), wk = 0.0026455 k( 153) = ( 0.1536445 -0.1536445 0.5000000), wk = 0.0026455 k( 154) = ( 0.1474987 -0.1474987 0.5000000), wk = 0.0026455 k( 155) = ( 0.1413529 -0.1413529 0.5000000), wk = 0.0026455 k( 156) = ( 0.1352072 -0.1352072 0.5000000), wk = 0.0026455 k( 157) = ( 0.1290614 -0.1290614 0.5000000), wk = 0.0026455 k( 158) = ( 0.1229156 -0.1229156 0.5000000), wk = 0.0026455 k( 159) = ( 0.1167698 -0.1167698 0.5000000), wk = 0.0026455 k( 160) = ( 0.1106240 -0.1106240 0.5000000), wk = 0.0026455 k( 161) = ( 0.1044783 -0.1044783 0.5000000), wk = 0.0026455 k( 162) = ( 0.0983325 -0.0983325 0.5000000), wk = 0.0026455 k( 163) = ( 0.0921867 -0.0921867 0.5000000), wk = 0.0026455 k( 164) = ( 0.0860409 -0.0860409 0.5000000), wk = 0.0026455 k( 165) = ( 0.0798951 -0.0798951 0.5000000), wk = 0.0026455 k( 166) = ( 0.0737494 -0.0737494 0.5000000), wk = 0.0026455 k( 167) = ( 0.0676036 -0.0676036 0.5000000), wk = 0.0026455 k( 168) = ( 0.0614578 -0.0614578 0.5000000), wk = 0.0026455 k( 169) = ( 0.0553120 -0.0553120 0.5000000), wk = 0.0026455 k( 170) = ( 0.0491662 -0.0491662 0.5000000), wk = 0.0026455 k( 171) = ( 0.0430205 -0.0430205 0.5000000), wk = 0.0026455 k( 172) = ( 0.0368747 -0.0368747 0.5000000), wk = 0.0026455 k( 173) = ( 0.0307289 -0.0307289 0.5000000), wk = 0.0026455 k( 174) = ( 0.0245831 -0.0245831 0.5000000), wk = 0.0026455 k( 175) = ( 0.0184373 -0.0184373 0.5000000), wk = 0.0026455 k( 176) = ( 0.0122916 -0.0122916 0.5000000), wk = 0.0026455 k( 177) = ( 0.0061458 -0.0061458 0.5000000), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 180) = ( 0.0215629 0.0215629 0.5206128), wk = 0.0026455 k( 181) = ( 0.0431258 0.0431258 0.5412256), wk = 0.0026455 k( 182) = ( 0.0646887 0.0646887 0.5618384), wk = 0.0026455 k( 183) = ( 0.0862516 0.0862516 0.5824512), wk = 0.0026455 k( 184) = ( 0.1078145 0.1078145 0.6030640), wk = 0.0026455 k( 185) = ( 0.1293773 0.1293773 0.6236767), wk = 0.0026455 k( 186) = ( 0.1509402 0.1509402 0.6442895), wk = 0.0026455 k( 187) = ( 0.1725031 0.1725031 0.6649023), wk = 0.0026455 k( 188) = ( 0.1940660 0.1940660 0.6855151), wk = 0.0026455 k( 189) = ( 0.2156289 0.2156289 0.7061279), wk = 0.0026455 k( 190) = ( 0.2371918 0.2371918 0.7267407), wk = 0.0026455 k( 191) = ( 0.2587547 0.2587547 0.7473535), wk = 0.0026455 k( 192) = ( 0.2803176 0.2803176 0.7679663), wk = 0.0026455 k( 193) = ( 0.3018805 0.3018805 0.7885791), wk = 0.0026455 k( 194) = ( 0.3234433 0.3234433 0.8091918), wk = 0.0026455 k( 195) = ( 0.3450062 0.3450062 0.8298046), wk = 0.0026455 k( 196) = ( 0.3665691 0.3665691 0.8504174), wk = 0.0026455 k( 197) = ( 0.3881320 0.3881320 0.8710302), wk = 0.0026455 k( 198) = ( 0.4096949 0.4096949 0.8916430), wk = 0.0026455 k( 199) = ( 0.4312578 0.4312578 0.9122558), wk = 0.0026455 k( 200) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026455 k( 201) = ( 0.5061761 0.4938239 0.0000000), wk = 0.0026455 k( 202) = ( 0.5123523 0.4876477 0.0000000), wk = 0.0026455 k( 203) = ( 0.5185284 0.4814716 0.0000000), wk = 0.0026455 k( 204) = ( 0.5247046 0.4752954 0.0000000), wk = 0.0026455 k( 205) = ( 0.5308807 0.4691193 0.0000000), wk = 0.0026455 k( 206) = ( 0.5370569 0.4629432 -0.0000000), wk = 0.0026455 k( 207) = ( 0.5432330 0.4567670 0.0000000), wk = 0.0026455 k( 208) = ( 0.5494091 0.4505909 0.0000000), wk = 0.0026455 k( 209) = ( 0.5555853 0.4444147 0.0000000), wk = 0.0026455 k( 210) = ( 0.5617614 0.4382386 -0.0000000), wk = 0.0026455 k( 211) = ( 0.5679376 0.4320624 0.0000000), wk = 0.0026455 k( 212) = ( 0.5741137 0.4258863 -0.0000000), wk = 0.0026455 k( 213) = ( 0.5802898 0.4197102 0.0000000), wk = 0.0026455 k( 214) = ( 0.5864660 0.4135340 0.0000000), wk = 0.0026455 k( 215) = ( 0.5926421 0.4073579 -0.0000000), wk = 0.0026455 k( 216) = ( 0.5988183 0.4011817 0.0000000), wk = 0.0026455 k( 217) = ( 0.6049944 0.3950056 0.0000000), wk = 0.0026455 k( 218) = ( 0.6111706 0.3888294 -0.0000000), wk = 0.0026455 k( 219) = ( 0.6173467 0.3826533 0.0000000), wk = 0.0026455 k( 220) = ( 0.6235228 0.3764772 0.0000000), wk = 0.0026455 k( 221) = ( 0.6296990 0.3703010 0.0000000), wk = 0.0026455 k( 222) = ( 0.6358751 0.3641249 0.0000000), wk = 0.0026455 k( 223) = ( 0.6420513 0.3579487 0.0000000), wk = 0.0026455 k( 224) = ( 0.6482274 0.3517726 -0.0000000), wk = 0.0026455 k( 225) = ( 0.6544036 0.3455964 0.0000000), wk = 0.0026455 k( 226) = ( 0.6605797 0.3394203 0.0000000), wk = 0.0026455 k( 227) = ( 0.6667558 0.3332442 -0.0000000), wk = 0.0026455 k( 228) = ( 0.3332442 -0.3332442 -0.0000000), wk = 0.0026455 k( 229) = ( 0.3270730 -0.3270730 0.0000000), wk = 0.0026455 k( 230) = ( 0.3209018 -0.3209018 -0.0000000), wk = 0.0026455 k( 231) = ( 0.3147306 -0.3147306 -0.0000000), wk = 0.0026455 k( 232) = ( 0.3085594 -0.3085594 0.0000000), wk = 0.0026455 k( 233) = ( 0.3023882 -0.3023882 0.0000000), wk = 0.0026455 k( 234) = ( 0.2962170 -0.2962170 0.0000000), wk = 0.0026455 k( 235) = ( 0.2900458 -0.2900458 -0.0000000), wk = 0.0026455 k( 236) = ( 0.2838747 -0.2838746 0.0000000), wk = 0.0026455 k( 237) = ( 0.2777035 -0.2777035 0.0000000), wk = 0.0026455 k( 238) = ( 0.2715323 -0.2715323 -0.0000000), wk = 0.0026455 k( 239) = ( 0.2653611 -0.2653611 0.0000000), wk = 0.0026455 k( 240) = ( 0.2591899 -0.2591899 0.0000000), wk = 0.0026455 k( 241) = ( 0.2530187 -0.2530187 -0.0000000), wk = 0.0026455 k( 242) = ( 0.2468475 -0.2468475 0.0000000), wk = 0.0026455 k( 243) = ( 0.2406763 -0.2406763 0.0000000), wk = 0.0026455 k( 244) = ( 0.2345051 -0.2345051 0.0000000), wk = 0.0026455 k( 245) = ( 0.2283340 -0.2283340 -0.0000000), wk = 0.0026455 k( 246) = ( 0.2221628 -0.2221628 -0.0000000), wk = 0.0026455 k( 247) = ( 0.2159916 -0.2159916 -0.0000000), wk = 0.0026455 k( 248) = ( 0.2098204 -0.2098204 -0.0000000), wk = 0.0026455 k( 249) = ( 0.2036492 -0.2036492 0.0000000), wk = 0.0026455 k( 250) = ( 0.1974780 -0.1974780 0.0000000), wk = 0.0026455 k( 251) = ( 0.1913068 -0.1913068 -0.0000000), wk = 0.0026455 k( 252) = ( 0.1851356 -0.1851356 -0.0000000), wk = 0.0026455 k( 253) = ( 0.1789644 -0.1789644 0.0000000), wk = 0.0026455 k( 254) = ( 0.1727933 -0.1727933 -0.0000000), wk = 0.0026455 k( 255) = ( 0.1666221 -0.1666221 -0.0000000), wk = 0.0026455 k( 256) = ( 0.1604509 -0.1604509 -0.0000000), wk = 0.0026455 k( 257) = ( 0.1542797 -0.1542797 0.0000000), wk = 0.0026455 k( 258) = ( 0.1481085 -0.1481085 0.0000000), wk = 0.0026455 k( 259) = ( 0.1419373 -0.1419373 0.0000000), wk = 0.0026455 k( 260) = ( 0.1357661 -0.1357661 -0.0000000), wk = 0.0026455 k( 261) = ( 0.1295949 -0.1295949 0.0000000), wk = 0.0026455 k( 262) = ( 0.1234238 -0.1234238 0.0000000), wk = 0.0026455 k( 263) = ( 0.1172526 -0.1172526 -0.0000000), wk = 0.0026455 k( 264) = ( 0.1110814 -0.1110814 0.0000000), wk = 0.0026455 k( 265) = ( 0.1049102 -0.1049102 -0.0000000), wk = 0.0026455 k( 266) = ( 0.0987390 -0.0987390 0.0000000), wk = 0.0026455 k( 267) = ( 0.0925678 -0.0925678 -0.0000000), wk = 0.0026455 k( 268) = ( 0.0863966 -0.0863966 0.0000000), wk = 0.0026455 k( 269) = ( 0.0802255 -0.0802254 0.0000000), wk = 0.0026455 k( 270) = ( 0.0740543 -0.0740543 0.0000000), wk = 0.0026455 k( 271) = ( 0.0678831 -0.0678831 -0.0000000), wk = 0.0026455 k( 272) = ( 0.0617119 -0.0617119 0.0000000), wk = 0.0026455 k( 273) = ( 0.0555407 -0.0555407 -0.0000000), wk = 0.0026455 k( 274) = ( 0.0493695 -0.0493695 0.0000000), wk = 0.0026455 k( 275) = ( 0.0431983 -0.0431983 -0.0000000), wk = 0.0026455 k( 276) = ( 0.0370271 -0.0370271 0.0000000), wk = 0.0026455 k( 277) = ( 0.0308559 -0.0308559 0.0000000), wk = 0.0026455 k( 278) = ( 0.0246847 -0.0246847 0.0000000), wk = 0.0026455 k( 279) = ( 0.0185136 -0.0185136 0.0000000), wk = 0.0026455 k( 280) = ( 0.0123424 -0.0123424 0.0000000), wk = 0.0026455 k( 281) = ( 0.0061712 -0.0061712 0.0000000), wk = 0.0026455 k( 282) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 284) = ( 0.0106383 0.0000000 0.0000000), wk = 0.0026455 k( 285) = ( 0.0212766 0.0000000 0.0000000), wk = 0.0026455 k( 286) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0026455 k( 287) = ( 0.0425532 0.0000000 0.0000000), wk = 0.0026455 k( 288) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0026455 k( 289) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0026455 k( 290) = ( 0.0744681 0.0000000 0.0000000), wk = 0.0026455 k( 291) = ( 0.0851064 0.0000000 0.0000000), wk = 0.0026455 k( 292) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0026455 k( 293) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0026455 k( 294) = ( 0.1170213 0.0000000 0.0000000), wk = 0.0026455 k( 295) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0026455 k( 296) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0026455 k( 297) = ( 0.1489362 0.0000000 0.0000000), wk = 0.0026455 k( 298) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0026455 k( 299) = ( 0.1702128 0.0000000 0.0000000), wk = 0.0026455 k( 300) = ( 0.1808511 0.0000000 0.0000000), wk = 0.0026455 k( 301) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0026455 k( 302) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0026455 k( 303) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0026455 k( 304) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0026455 k( 305) = ( 0.2340425 -0.0000000 0.0000000), wk = 0.0026455 k( 306) = ( 0.2446809 0.0000000 0.0000000), wk = 0.0026455 k( 307) = ( 0.2553191 0.0000000 0.0000000), wk = 0.0026455 k( 308) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0026455 k( 309) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0026455 k( 310) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0026455 k( 311) = ( 0.2978723 0.0000000 0.0000000), wk = 0.0026455 k( 312) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0026455 k( 313) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0026455 k( 314) = ( 0.3297872 0.0000000 0.0000000), wk = 0.0026455 k( 315) = ( 0.3404255 -0.0000000 -0.0000000), wk = 0.0026455 k( 316) = ( 0.3510638 0.0000000 0.0000000), wk = 0.0026455 k( 317) = ( 0.3617021 -0.0000000 -0.0000000), wk = 0.0026455 k( 318) = ( 0.3723404 0.0000000 0.0000000), wk = 0.0026455 k( 319) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0026455 k( 320) = ( 0.3936170 0.0000000 0.0000000), wk = 0.0026455 k( 321) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0026455 k( 322) = ( 0.4148936 -0.0000000 0.0000000), wk = 0.0026455 k( 323) = ( 0.4255319 0.0000000 0.0000000), wk = 0.0026455 k( 324) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0026455 k( 325) = ( 0.4468085 0.0000000 0.0000000), wk = 0.0026455 k( 326) = ( 0.4574468 0.0000000 0.0000000), wk = 0.0026455 k( 327) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0026455 k( 328) = ( 0.4787234 0.0000000 0.0000000), wk = 0.0026455 k( 329) = ( 0.4893617 0.0000000 0.0000000), wk = 0.0026455 k( 330) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026455 k( 331) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026455 k( 332) = ( 0.4893617 0.0000000 0.4893617), wk = 0.0026455 k( 333) = ( 0.4787234 0.0000000 0.4787234), wk = 0.0026455 k( 334) = ( 0.4680851 0.0000000 0.4680851), wk = 0.0026455 k( 335) = ( 0.4574468 0.0000000 0.4574468), wk = 0.0026455 k( 336) = ( 0.4468085 0.0000000 0.4468085), wk = 0.0026455 k( 337) = ( 0.4361702 0.0000000 0.4361702), wk = 0.0026455 k( 338) = ( 0.4255319 0.0000000 0.4255319), wk = 0.0026455 k( 339) = ( 0.4148936 -0.0000000 0.4148936), wk = 0.0026455 k( 340) = ( 0.4042553 0.0000000 0.4042553), wk = 0.0026455 k( 341) = ( 0.3936170 0.0000000 0.3936170), wk = 0.0026455 k( 342) = ( 0.3829787 0.0000000 0.3829787), wk = 0.0026455 k( 343) = ( 0.3723404 0.0000000 0.3723404), wk = 0.0026455 k( 344) = ( 0.3617021 -0.0000000 0.3617021), wk = 0.0026455 k( 345) = ( 0.3510638 0.0000000 0.3510638), wk = 0.0026455 k( 346) = ( 0.3404255 -0.0000000 0.3404255), wk = 0.0026455 k( 347) = ( 0.3297872 0.0000000 0.3297872), wk = 0.0026455 k( 348) = ( 0.3191489 0.0000000 0.3191489), wk = 0.0026455 k( 349) = ( 0.3085106 0.0000000 0.3085106), wk = 0.0026455 k( 350) = ( 0.2978723 0.0000000 0.2978723), wk = 0.0026455 k( 351) = ( 0.2872340 0.0000000 0.2872340), wk = 0.0026455 k( 352) = ( 0.2765957 0.0000000 0.2765957), wk = 0.0026455 k( 353) = ( 0.2659574 0.0000000 0.2659574), wk = 0.0026455 k( 354) = ( 0.2553191 0.0000000 0.2553191), wk = 0.0026455 k( 355) = ( 0.2446809 0.0000000 0.2446809), wk = 0.0026455 k( 356) = ( 0.2340425 -0.0000000 0.2340425), wk = 0.0026455 k( 357) = ( 0.2234043 0.0000000 0.2234043), wk = 0.0026455 k( 358) = ( 0.2127660 0.0000000 0.2127660), wk = 0.0026455 k( 359) = ( 0.2021277 0.0000000 0.2021277), wk = 0.0026455 k( 360) = ( 0.1914894 0.0000000 0.1914894), wk = 0.0026455 k( 361) = ( 0.1808511 0.0000000 0.1808511), wk = 0.0026455 k( 362) = ( 0.1702128 0.0000000 0.1702128), wk = 0.0026455 k( 363) = ( 0.1595745 0.0000000 0.1595745), wk = 0.0026455 k( 364) = ( 0.1489362 0.0000000 0.1489362), wk = 0.0026455 k( 365) = ( 0.1382979 0.0000000 0.1382979), wk = 0.0026455 k( 366) = ( 0.1276596 0.0000000 0.1276596), wk = 0.0026455 k( 367) = ( 0.1170213 0.0000000 0.1170213), wk = 0.0026455 k( 368) = ( 0.1063830 0.0000000 0.1063830), wk = 0.0026455 k( 369) = ( 0.0957447 0.0000000 0.0957447), wk = 0.0026455 k( 370) = ( 0.0851064 0.0000000 0.0851064), wk = 0.0026455 k( 371) = ( 0.0744681 0.0000000 0.0744681), wk = 0.0026455 k( 372) = ( 0.0638298 0.0000000 0.0638298), wk = 0.0026455 k( 373) = ( 0.0531915 0.0000000 0.0531915), wk = 0.0026455 k( 374) = ( 0.0425532 0.0000000 0.0425532), wk = 0.0026455 k( 375) = ( 0.0319149 0.0000000 0.0319149), wk = 0.0026455 k( 376) = ( 0.0212766 0.0000000 0.0212766), wk = 0.0026455 k( 377) = ( 0.0106383 0.0000000 0.0106383), wk = 0.0026455 k( 378) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 Dense grid: 111763 G-vectors FFT dimensions: ( 96, 96, 100) Smooth grid: 31393 G-vectors FFT dimensions: ( 60, 60, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 168, 36) NL pseudopotentials 0.13 Mb ( 84, 102) Each V/rho on FFT grid 0.42 Mb ( 27648) Each G-vector array 0.02 Mb ( 2328) G-vector shells 0.02 Mb ( 2252) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 168, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.11 Mb ( 102, 2, 36) The potential is recalculated from file : ./CrI2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.2 secs Computing kpt #: 2 total cpu time spent up to now is 47.0 secs Computing kpt #: 3 total cpu time spent up to now is 48.7 secs Computing kpt #: 4 total cpu time spent up to now is 50.2 secs Computing kpt #: 5 total cpu time spent up to now is 51.7 secs Computing kpt #: 6 total cpu time spent up to now is 53.3 secs Computing kpt #: 7 total cpu time spent up to now is 54.9 secs Computing kpt #: 8 total cpu time spent up to now is 56.4 secs Computing kpt #: 9 total cpu time spent up to now is 57.9 secs Computing kpt #: 10 total cpu time spent up to now is 59.4 secs Computing kpt #: 11 total cpu time spent up to now is 60.9 secs Computing kpt #: 12 total cpu time spent up to now is 62.4 secs Computing kpt #: 13 total cpu time spent up to now is 63.9 secs Computing kpt #: 14 total cpu time spent up to now is 65.5 secs Computing kpt #: 15 total cpu time spent up to now is 67.2 secs Computing kpt #: 16 total cpu time spent up to now is 68.8 secs Computing kpt #: 17 total cpu time spent up to now is 70.3 secs Computing kpt #: 18 total cpu time spent up to now is 72.0 secs Computing kpt #: 19 total cpu time spent up to now is 73.7 secs Computing kpt #: 20 total cpu time spent up to now is 75.4 secs Computing kpt #: 21 total cpu time spent up to now is 77.2 secs Computing kpt #: 22 total cpu time spent up to now is 79.0 secs Computing kpt #: 23 total cpu time spent up to now is 80.9 secs Computing kpt #: 24 total cpu time spent up to now is 82.9 secs Computing kpt #: 25 total cpu time spent up to now is 84.9 secs Computing kpt #: 26 total cpu time spent up to now is 86.8 secs Computing kpt #: 27 total cpu time spent up to now is 88.8 secs Computing kpt #: 28 total cpu time spent up to now is 90.5 secs Computing kpt #: 29 total cpu time spent up to now is 92.1 secs Computing kpt #: 30 total cpu time spent up to now is 93.9 secs Computing kpt #: 31 total cpu time spent up to now is 95.6 secs Computing kpt #: 32 total cpu time spent up to now is 97.2 secs Computing kpt #: 33 total cpu time spent up to now is 98.9 secs Computing kpt #: 34 total cpu time spent up to now is 100.7 secs Computing kpt #: 35 total cpu time spent up to now is 102.4 secs Computing kpt #: 36 total cpu time spent up to now is 103.9 secs Computing kpt #: 37 total cpu time spent up to now is 105.6 secs Computing kpt #: 38 total cpu time spent up to now is 107.2 secs Computing kpt #: 39 total cpu time spent up to now is 108.8 secs Computing kpt #: 40 total cpu time spent up to now is 110.4 secs Computing kpt #: 41 total cpu time spent up to now is 111.9 secs Computing kpt #: 42 total cpu time spent up to now is 113.5 secs Computing kpt #: 43 total cpu time spent up to now is 115.2 secs Computing kpt #: 44 total cpu time spent up to now is 116.8 secs Computing kpt #: 45 total cpu time spent up to now is 118.3 secs Computing kpt #: 46 total cpu time spent up to now is 119.9 secs Computing kpt #: 47 total cpu time spent up to now is 121.5 secs Computing kpt #: 48 total cpu time spent up to now is 123.0 secs Computing kpt #: 49 total cpu time spent up to now is 124.5 secs Computing kpt #: 50 total cpu time spent up to now is 126.0 secs Computing kpt #: 51 total cpu time spent up to now is 127.6 secs Computing kpt #: 52 total cpu time spent up to now is 129.1 secs Computing kpt #: 53 total cpu time spent up to now is 130.6 secs Computing kpt #: 54 total cpu time spent up to now is 132.1 secs Computing kpt #: 55 total cpu time spent up to now is 133.6 secs Computing kpt #: 56 total cpu time spent up to now is 135.1 secs Computing kpt #: 57 total cpu time spent up to now is 136.7 secs Computing kpt #: 58 total cpu time spent up to now is 138.1 secs Computing kpt #: 59 total cpu time spent up to now is 139.6 secs Computing kpt #: 60 total cpu time spent up to now is 141.1 secs Computing kpt #: 61 total cpu time spent up to now is 142.6 secs Computing kpt #: 62 total cpu time spent up to now is 144.1 secs Computing kpt #: 63 total cpu time spent up to now is 145.7 secs Computing kpt #: 64 total cpu time spent up to now is 147.2 secs Computing kpt #: 65 total cpu time spent up to now is 148.7 secs Computing kpt #: 66 total cpu time spent up to now is 150.2 secs Computing kpt #: 67 total cpu time spent up to now is 151.7 secs Computing kpt #: 68 total cpu time spent up to now is 153.2 secs Computing kpt #: 69 total cpu time spent up to now is 154.7 secs Computing kpt #: 70 total cpu time spent up to now is 156.3 secs Computing kpt #: 71 total cpu time spent up to now is 157.8 secs Computing kpt #: 72 total cpu time spent up to now is 159.3 secs Computing kpt #: 73 total cpu time spent up to now is 160.9 secs Computing kpt #: 74 total cpu time spent up to now is 162.5 secs Computing kpt #: 75 total cpu time spent up to now is 164.1 secs Computing kpt #: 76 total cpu time spent up to now is 165.6 secs Computing kpt #: 77 total cpu time spent up to now is 167.3 secs Computing kpt #: 78 total cpu time spent up to now is 168.9 secs Computing kpt #: 79 total cpu time spent up to now is 170.6 secs Computing kpt #: 80 total cpu time spent up to now is 172.3 secs Computing kpt #: 81 total cpu time spent up to now is 174.2 secs Computing kpt #: 82 total cpu time spent up to now is 176.2 secs Computing kpt #: 83 total cpu time spent up to now is 178.2 secs Computing kpt #: 84 total cpu time spent up to now is 180.2 secs Computing kpt #: 85 total cpu time spent up to now is 182.1 secs Computing kpt #: 86 total cpu time spent up to now is 184.0 secs Computing kpt #: 87 total cpu time spent up to now is 185.8 secs Computing kpt #: 88 total cpu time spent up to now is 187.4 secs Computing kpt #: 89 total cpu time spent up to now is 189.0 secs Computing kpt #: 90 total cpu time spent up to now is 190.6 secs Computing kpt #: 91 total cpu time spent up to now is 192.2 secs Computing kpt #: 92 total cpu time spent up to now is 193.8 secs Computing kpt #: 93 total cpu time spent up to now is 195.4 secs Computing kpt #: 94 total cpu time spent up to now is 197.0 secs Computing kpt #: 95 total cpu time spent up to now is 198.6 secs Computing kpt #: 96 total cpu time spent up to now is 200.3 secs Computing kpt #: 97 total cpu time spent up to now is 202.0 secs Computing kpt #: 98 total cpu time spent up to now is 203.6 secs Computing kpt #: 99 total cpu time spent up to now is 205.4 secs Computing kpt #: 100 total cpu time spent up to now is 207.1 secs Computing kpt #: 101 total cpu time spent up to now is 208.8 secs Computing kpt #: 102 total cpu time spent up to now is 210.5 secs Computing kpt #: 103 total cpu time spent up to now is 212.1 secs Computing kpt #: 104 total cpu time spent up to now is 213.8 secs Computing kpt #: 105 total cpu time spent up to now is 215.5 secs Computing kpt #: 106 total cpu time spent up to now is 217.2 secs Computing kpt #: 107 total cpu time spent up to now is 218.8 secs Computing kpt #: 108 total cpu time spent up to now is 220.5 secs Computing kpt #: 109 total cpu time spent up to now is 222.3 secs Computing kpt #: 110 total cpu time spent up to now is 224.0 secs Computing kpt #: 111 total cpu time spent up to now is 225.7 secs Computing kpt #: 112 total cpu time spent up to now is 227.7 secs Computing kpt #: 113 total cpu time spent up to now is 229.6 secs Computing kpt #: 114 total cpu time spent up to now is 231.4 secs Computing kpt #: 115 total cpu time spent up to now is 233.4 secs Computing kpt #: 116 total cpu time spent up to now is 235.3 secs Computing kpt #: 117 total cpu time spent up to now is 237.0 secs Computing kpt #: 118 total cpu time spent up to now is 238.7 secs Computing kpt #: 119 total cpu time spent up to now is 240.2 secs Computing kpt #: 120 total cpu time spent up to now is 241.8 secs Computing kpt #: 121 total cpu time spent up to now is 243.3 secs Computing kpt #: 122 total cpu time spent up to now is 244.9 secs Computing kpt #: 123 total cpu time spent up to now is 246.5 secs Computing kpt #: 124 total cpu time spent up to now is 248.2 secs Computing kpt #: 125 total cpu time spent up to now is 249.7 secs Computing kpt #: 126 total cpu time spent up to now is 251.2 secs Computing kpt #: 127 total cpu time spent up to now is 252.7 secs Computing kpt #: 128 total cpu time spent up to now is 254.2 secs Computing kpt #: 129 total cpu time spent up to now is 255.7 secs Computing kpt #: 130 total cpu time spent up to now is 257.2 secs Computing kpt #: 131 total cpu time spent up to now is 258.8 secs Computing kpt #: 132 total cpu time spent up to now is 260.3 secs Computing kpt #: 133 total cpu time spent up to now is 261.8 secs Computing kpt #: 134 total cpu time spent up to now is 263.4 secs Computing kpt #: 135 total cpu time spent up to now is 264.9 secs Computing kpt #: 136 total cpu time spent up to now is 266.4 secs Computing kpt #: 137 total cpu time spent up to now is 267.9 secs Computing kpt #: 138 total cpu time spent up to now is 269.4 secs Computing kpt #: 139 total cpu time spent up to now is 271.0 secs Computing kpt #: 140 total cpu time spent up to now is 272.5 secs Computing kpt #: 141 total cpu time spent up to now is 273.9 secs Computing kpt #: 142 total cpu time spent up to now is 275.4 secs Computing kpt #: 143 total cpu time spent up to now is 276.9 secs Computing kpt #: 144 total cpu time spent up to now is 278.5 secs Computing kpt #: 145 total cpu time spent up to now is 280.0 secs Computing kpt #: 146 total cpu time spent up to now is 281.5 secs Computing kpt #: 147 total cpu time spent up to now is 283.0 secs Computing kpt #: 148 total cpu time spent up to now is 284.5 secs Computing kpt #: 149 total cpu time spent up to now is 286.0 secs Computing kpt #: 150 total cpu time spent up to now is 287.6 secs Computing kpt #: 151 total cpu time spent up to now is 289.1 secs Computing kpt #: 152 total cpu time spent up to now is 290.6 secs Computing kpt #: 153 total cpu time spent up to now is 292.1 secs Computing kpt #: 154 total cpu time spent up to now is 293.7 secs Computing kpt #: 155 total cpu time spent up to now is 295.2 secs Computing kpt #: 156 total cpu time spent up to now is 296.7 secs Computing kpt #: 157 total cpu time spent up to now is 298.3 secs Computing kpt #: 158 total cpu time spent up to now is 299.9 secs Computing kpt #: 159 total cpu time spent up to now is 301.5 secs Computing kpt #: 160 total cpu time spent up to now is 303.1 secs Computing kpt #: 161 total cpu time spent up to now is 304.7 secs Computing kpt #: 162 total cpu time spent up to now is 306.3 secs Computing kpt #: 163 total cpu time spent up to now is 307.8 secs Computing kpt #: 164 total cpu time spent up to now is 309.4 secs Computing kpt #: 165 total cpu time spent up to now is 311.0 secs Computing kpt #: 166 total cpu time spent up to now is 312.6 secs Computing kpt #: 167 total cpu time spent up to now is 314.1 secs Computing kpt #: 168 total cpu time spent up to now is 315.7 secs Computing kpt #: 169 total cpu time spent up to now is 317.2 secs Computing kpt #: 170 total cpu time spent up to now is 318.8 secs Computing kpt #: 171 total cpu time spent up to now is 320.3 secs Computing kpt #: 172 total cpu time spent up to now is 321.8 secs Computing kpt #: 173 total cpu time spent up to now is 323.4 secs Computing kpt #: 174 total cpu time spent up to now is 325.0 secs Computing kpt #: 175 total cpu time spent up to now is 326.6 secs Computing kpt #: 176 total cpu time spent up to now is 328.1 secs Computing kpt #: 177 total cpu time spent up to now is 329.7 secs Computing kpt #: 178 total cpu time spent up to now is 331.3 secs Computing kpt #: 179 total cpu time spent up to now is 332.8 secs Computing kpt #: 180 total cpu time spent up to now is 334.4 secs Computing kpt #: 181 total cpu time spent up to now is 336.0 secs Computing kpt #: 182 total cpu time spent up to now is 337.6 secs Computing kpt #: 183 total cpu time spent up to now is 339.2 secs Computing kpt #: 184 total cpu time spent up to now is 340.8 secs Computing kpt #: 185 total cpu time spent up to now is 342.4 secs Computing kpt #: 186 total cpu time spent up to now is 343.9 secs Computing kpt #: 187 total cpu time spent up to now is 345.4 secs Computing kpt #: 188 total cpu time spent up to now is 347.0 secs Computing kpt #: 189 total cpu time spent up to now is 348.5 secs Computing kpt #: 190 total cpu time spent up to now is 350.0 secs Computing kpt #: 191 total cpu time spent up to now is 351.5 secs Computing kpt #: 192 total cpu time spent up to now is 352.8 secs Computing kpt #: 193 total cpu time spent up to now is 354.2 secs Computing kpt #: 194 total cpu time spent up to now is 355.6 secs Computing kpt #: 195 total cpu time spent up to now is 356.9 secs Computing kpt #: 196 total cpu time spent up to now is 358.4 secs Computing kpt #: 197 total cpu time spent up to now is 360.0 secs Computing kpt #: 198 total cpu time spent up to now is 361.3 secs Computing kpt #: 199 total cpu time spent up to now is 362.8 secs Computing kpt #: 200 total cpu time spent up to now is 364.1 secs Computing kpt #: 201 total cpu time spent up to now is 365.7 secs Computing kpt #: 202 total cpu time spent up to now is 367.0 secs Computing kpt #: 203 total cpu time spent up to now is 368.3 secs Computing kpt #: 204 total cpu time spent up to now is 369.8 secs Computing kpt #: 205 total cpu time spent up to now is 371.3 secs Computing kpt #: 206 total cpu time spent up to now is 372.8 secs Computing kpt #: 207 total cpu time spent up to now is 374.3 secs Computing kpt #: 208 total cpu time spent up to now is 375.8 secs Computing kpt #: 209 total cpu time spent up to now is 377.3 secs Computing kpt #: 210 total cpu time spent up to now is 378.9 secs Computing kpt #: 211 total cpu time spent up to now is 380.4 secs Computing kpt #: 212 total cpu time spent up to now is 381.9 secs Computing kpt #: 213 total cpu time spent up to now is 383.5 secs Computing kpt #: 214 total cpu time spent up to now is 385.0 secs Computing kpt #: 215 total cpu time spent up to now is 386.5 secs Computing kpt #: 216 total cpu time spent up to now is 388.1 secs Computing kpt #: 217 total cpu time spent up to now is 389.9 secs Computing kpt #: 218 total cpu time spent up to now is 391.4 secs Computing kpt #: 219 total cpu time spent up to now is 393.0 secs Computing kpt #: 220 total cpu time spent up to now is 394.5 secs Computing kpt #: 221 total cpu time spent up to now is 396.1 secs Computing kpt #: 222 total cpu time spent up to now is 397.6 secs Computing kpt #: 223 total cpu time spent up to now is 399.1 secs Computing kpt #: 224 total cpu time spent up to now is 400.7 secs Computing kpt #: 225 total cpu time spent up to now is 402.2 secs Computing kpt #: 226 total cpu time spent up to now is 403.7 secs Computing kpt #: 227 total cpu time spent up to now is 405.0 secs Computing kpt #: 228 total cpu time spent up to now is 406.3 secs Computing kpt #: 229 total cpu time spent up to now is 407.6 secs Computing kpt #: 230 total cpu time spent up to now is 409.0 secs Computing kpt #: 231 total cpu time spent up to now is 410.3 secs Computing kpt #: 232 total cpu time spent up to now is 411.6 secs Computing kpt #: 233 total cpu time spent up to now is 413.0 secs Computing kpt #: 234 total cpu time spent up to now is 414.3 secs Computing kpt #: 235 total cpu time spent up to now is 415.6 secs Computing kpt #: 236 total cpu time spent up to now is 416.9 secs Computing kpt #: 237 total cpu time spent up to now is 418.2 secs Computing kpt #: 238 total cpu time spent up to now is 419.6 secs Computing kpt #: 239 total cpu time spent up to now is 420.9 secs Computing kpt #: 240 total cpu time spent up to now is 422.2 secs Computing kpt #: 241 total cpu time spent up to now is 423.5 secs Computing kpt #: 242 total cpu time spent up to now is 424.8 secs Computing kpt #: 243 total cpu time spent up to now is 426.1 secs Computing kpt #: 244 total cpu time spent up to now is 427.4 secs Computing kpt #: 245 total cpu time spent up to now is 428.9 secs Computing kpt #: 246 total cpu time spent up to now is 430.3 secs Computing kpt #: 247 total cpu time spent up to now is 431.8 secs Computing kpt #: 248 total cpu time spent up to now is 433.3 secs Computing kpt #: 249 total cpu time spent up to now is 434.8 secs Computing kpt #: 250 total cpu time spent up to now is 436.3 secs Computing kpt #: 251 total cpu time spent up to now is 437.8 secs Computing kpt #: 252 total cpu time spent up to now is 439.4 secs Computing kpt #: 253 total cpu time spent up to now is 440.9 secs Computing kpt #: 254 total cpu time spent up to now is 442.4 secs Computing kpt #: 255 total cpu time spent up to now is 444.2 secs Computing kpt #: 256 total cpu time spent up to now is 445.8 secs Computing kpt #: 257 total cpu time spent up to now is 447.8 secs Computing kpt #: 258 total cpu time spent up to now is 449.8 secs Computing kpt #: 259 total cpu time spent up to now is 451.7 secs Computing kpt #: 260 total cpu time spent up to now is 453.7 secs Computing kpt #: 261 total cpu time spent up to now is 455.9 secs Computing kpt #: 262 total cpu time spent up to now is 457.8 secs Computing kpt #: 263 total cpu time spent up to now is 459.8 secs Computing kpt #: 264 total cpu time spent up to now is 461.7 secs Computing kpt #: 265 total cpu time spent up to now is 463.6 secs Computing kpt #: 266 total cpu time spent up to now is 465.6 secs Computing kpt #: 267 total cpu time spent up to now is 467.2 secs Computing kpt #: 268 total cpu time spent up to now is 469.0 secs Computing kpt #: 269 total cpu time spent up to now is 470.9 secs Computing kpt #: 270 total cpu time spent up to now is 472.5 secs Computing kpt #: 271 total cpu time spent up to now is 474.1 secs Computing kpt #: 272 total cpu time spent up to now is 475.7 secs Computing kpt #: 273 total cpu time spent up to now is 477.3 secs Computing kpt #: 274 total cpu time spent up to now is 478.9 secs Computing kpt #: 275 total cpu time spent up to now is 480.5 secs Computing kpt #: 276 total cpu time spent up to now is 482.1 secs Computing kpt #: 277 total cpu time spent up to now is 483.6 secs Computing kpt #: 278 total cpu time spent up to now is 485.2 secs Computing kpt #: 279 total cpu time spent up to now is 486.7 secs Computing kpt #: 280 total cpu time spent up to now is 488.2 secs Computing kpt #: 281 total cpu time spent up to now is 489.7 secs Computing kpt #: 282 total cpu time spent up to now is 491.2 secs Computing kpt #: 283 total cpu time spent up to now is 492.8 secs Computing kpt #: 284 total cpu time spent up to now is 494.3 secs Computing kpt #: 285 total cpu time spent up to now is 495.6 secs Computing kpt #: 286 total cpu time spent up to now is 497.1 secs Computing kpt #: 287 total cpu time spent up to now is 498.9 secs Computing kpt #: 288 total cpu time spent up to now is 500.5 secs Computing kpt #: 289 total cpu time spent up to now is 502.0 secs Computing kpt #: 290 total cpu time spent up to now is 503.6 secs Computing kpt #: 291 total cpu time spent up to now is 505.2 secs Computing kpt #: 292 total cpu time spent up to now is 506.8 secs Computing kpt #: 293 total cpu time spent up to now is 508.3 secs Computing kpt #: 294 total cpu time spent up to now is 510.0 secs Computing kpt #: 295 total cpu time spent up to now is 511.6 secs Computing kpt #: 296 total cpu time spent up to now is 513.2 secs Computing kpt #: 297 total cpu time spent up to now is 515.2 secs Computing kpt #: 298 total cpu time spent up to now is 517.2 secs Computing kpt #: 299 total cpu time spent up to now is 519.0 secs Computing kpt #: 300 total cpu time spent up to now is 520.9 secs Computing kpt #: 301 total cpu time spent up to now is 522.9 secs Computing kpt #: 302 total cpu time spent up to now is 524.6 secs Computing kpt #: 303 total cpu time spent up to now is 526.3 secs Computing kpt #: 304 total cpu time spent up to now is 528.0 secs Computing kpt #: 305 total cpu time spent up to now is 529.6 secs Computing kpt #: 306 total cpu time spent up to now is 531.2 secs Computing kpt #: 307 total cpu time spent up to now is 532.8 secs Computing kpt #: 308 total cpu time spent up to now is 534.4 secs Computing kpt #: 309 total cpu time spent up to now is 536.0 secs Computing kpt #: 310 total cpu time spent up to now is 537.6 secs Computing kpt #: 311 total cpu time spent up to now is 539.1 secs Computing kpt #: 312 total cpu time spent up to now is 540.7 secs Computing kpt #: 313 total cpu time spent up to now is 542.2 secs Computing kpt #: 314 total cpu time spent up to now is 543.7 secs Computing kpt #: 315 total cpu time spent up to now is 545.4 secs Computing kpt #: 316 total cpu time spent up to now is 546.9 secs Computing kpt #: 317 total cpu time spent up to now is 548.5 secs Computing kpt #: 318 total cpu time spent up to now is 550.0 secs Computing kpt #: 319 total cpu time spent up to now is 551.6 secs Computing kpt #: 320 total cpu time spent up to now is 553.3 secs Computing kpt #: 321 total cpu time spent up to now is 554.8 secs Computing kpt #: 322 total cpu time spent up to now is 556.5 secs Computing kpt #: 323 total cpu time spent up to now is 558.1 secs Computing kpt #: 324 total cpu time spent up to now is 559.7 secs Computing kpt #: 325 total cpu time spent up to now is 561.3 secs Computing kpt #: 326 total cpu time spent up to now is 563.0 secs Computing kpt #: 327 total cpu time spent up to now is 564.6 secs Computing kpt #: 328 total cpu time spent up to now is 566.2 secs Computing kpt #: 329 total cpu time spent up to now is 567.7 secs Computing kpt #: 330 total cpu time spent up to now is 569.2 secs Computing kpt #: 331 total cpu time spent up to now is 570.5 secs Computing kpt #: 332 total cpu time spent up to now is 571.8 secs Computing kpt #: 333 total cpu time spent up to now is 573.3 secs Computing kpt #: 334 total cpu time spent up to now is 574.7 secs Computing kpt #: 335 total cpu time spent up to now is 576.2 secs Computing kpt #: 336 total cpu time spent up to now is 577.7 secs Computing kpt #: 337 total cpu time spent up to now is 579.2 secs Computing kpt #: 338 total cpu time spent up to now is 580.8 secs Computing kpt #: 339 total cpu time spent up to now is 582.4 secs Computing kpt #: 340 total cpu time spent up to now is 583.9 secs Computing kpt #: 341 total cpu time spent up to now is 585.4 secs Computing kpt #: 342 total cpu time spent up to now is 586.9 secs Computing kpt #: 343 total cpu time spent up to now is 588.5 secs Computing kpt #: 344 total cpu time spent up to now is 590.0 secs Computing kpt #: 345 total cpu time spent up to now is 591.6 secs Computing kpt #: 346 total cpu time spent up to now is 593.1 secs Computing kpt #: 347 total cpu time spent up to now is 594.8 secs Computing kpt #: 348 total cpu time spent up to now is 596.4 secs Computing kpt #: 349 total cpu time spent up to now is 598.1 secs Computing kpt #: 350 total cpu time spent up to now is 599.7 secs Computing kpt #: 351 total cpu time spent up to now is 601.3 secs Computing kpt #: 352 total cpu time spent up to now is 603.0 secs Computing kpt #: 353 total cpu time spent up to now is 604.6 secs Computing kpt #: 354 total cpu time spent up to now is 606.3 secs Computing kpt #: 355 total cpu time spent up to now is 608.0 secs Computing kpt #: 356 total cpu time spent up to now is 609.6 secs Computing kpt #: 357 total cpu time spent up to now is 611.5 secs Computing kpt #: 358 total cpu time spent up to now is 613.2 secs Computing kpt #: 359 total cpu time spent up to now is 615.1 secs Computing kpt #: 360 total cpu time spent up to now is 617.0 secs Computing kpt #: 361 total cpu time spent up to now is 619.0 secs Computing kpt #: 362 total cpu time spent up to now is 620.6 secs Computing kpt #: 363 total cpu time spent up to now is 622.5 secs Computing kpt #: 364 total cpu time spent up to now is 624.2 secs Computing kpt #: 365 total cpu time spent up to now is 625.8 secs Computing kpt #: 366 total cpu time spent up to now is 627.4 secs Computing kpt #: 367 total cpu time spent up to now is 628.9 secs Computing kpt #: 368 total cpu time spent up to now is 630.6 secs Computing kpt #: 369 total cpu time spent up to now is 632.3 secs Computing kpt #: 370 total cpu time spent up to now is 633.8 secs Computing kpt #: 371 total cpu time spent up to now is 635.4 secs Computing kpt #: 372 total cpu time spent up to now is 636.9 secs Computing kpt #: 373 total cpu time spent up to now is 638.5 secs Computing kpt #: 374 total cpu time spent up to now is 640.0 secs Computing kpt #: 375 total cpu time spent up to now is 641.5 secs Computing kpt #: 376 total cpu time spent up to now is 643.1 secs Computing kpt #: 377 total cpu time spent up to now is 644.5 secs Computing kpt #: 378 total cpu time spent up to now is 646.0 secs ethr = 3.57E-11, avg # of iterations = 27.7 total cpu time spent up to now is 646.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3883 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0584 -8.0584 -7.3017 -7.3017 0.4779 0.4779 2.6236 2.6236 3.1002 3.1002 3.3052 3.3052 4.4877 4.4877 4.5222 4.5222 5.5555 5.5555 5.7748 5.7748 5.8752 5.8752 6.5716 6.5716 7.3701 7.3701 8.8722 8.8722 k = 0.0106 0.0031-0.0191 ( 3886 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0578 -8.0578 -7.3017 -7.3017 0.4793 0.4793 2.6223 2.6223 3.0980 3.0980 3.3041 3.3041 4.4838 4.4838 4.5190 4.5190 5.5563 5.5563 5.7756 5.7756 5.8772 5.8772 6.5700 6.5700 7.3694 7.3694 8.8778 8.8778 k = 0.0213 0.0062-0.0383 ( 3886 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0559 -8.0559 -7.3017 -7.3017 0.4834 0.4834 2.6182 2.6182 3.0913 3.0913 3.3008 3.3008 4.4711 4.4711 4.5107 4.5107 5.5584 5.5584 5.7780 5.7780 5.8832 5.8832 6.5652 6.5652 7.3673 7.3673 8.8943 8.8943 k = 0.0319 0.0092-0.0574 ( 3890 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0528 -8.0528 -7.3018 -7.3018 0.4902 0.4902 2.6113 2.6113 3.0805 3.0805 3.2950 3.2950 4.4479 4.4479 4.5001 4.5001 5.5616 5.5616 5.7817 5.7817 5.8929 5.8929 6.5575 6.5575 7.3640 7.3640 8.9215 8.9215 k = 0.0426 0.0123-0.0765 ( 3886 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0485 -8.0485 -7.3019 -7.3019 0.4997 0.4997 2.6014 2.6014 3.0664 3.0664 3.2862 3.2862 4.4143 4.4143 4.4881 4.4881 5.5655 5.5655 5.7867 5.7867 5.9063 5.9063 6.5472 6.5472 7.3596 7.3596 8.9590 8.9590 k = 0.0532 0.0154-0.0956 ( 3896 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0430 -8.0430 -7.3021 -7.3021 0.5118 0.5118 2.5884 2.5884 3.0494 3.0494 3.2741 3.2741 4.3724 4.3724 4.4743 4.4743 5.5698 5.5698 5.7928 5.7928 5.9229 5.9229 6.5347 6.5347 7.3542 7.3542 9.0060 9.0060 k = 0.0638 0.0185-0.1148 ( 3897 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0363 -8.0363 -7.3022 -7.3022 0.5265 0.5265 2.5719 2.5719 3.0302 3.0302 3.2581 3.2581 4.3240 4.3240 4.4585 4.4585 5.5740 5.5740 5.7999 5.7999 5.9421 5.9421 6.5207 6.5207 7.3480 7.3480 9.0617 9.0617 k = 0.0745 0.0215-0.1339 ( 3904 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0284 -8.0284 -7.3024 -7.3024 0.5436 0.5436 2.5518 2.5518 3.0097 3.0097 3.2381 3.2381 4.2710 4.2710 4.4406 4.4406 5.5780 5.5780 5.8078 5.8078 5.9635 5.9635 6.5056 6.5056 7.3412 7.3412 9.1252 9.1252 k = 0.0851 0.0246-0.1530 ( 3900 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0193 -8.0193 -7.3026 -7.3026 0.5632 0.5632 2.5279 2.5279 2.9882 2.9882 3.2136 3.2136 4.2150 4.2150 4.4206 4.4206 5.5815 5.5815 5.8166 5.8166 5.9865 5.9865 6.4900 6.4900 7.3341 7.3341 9.1955 9.1955 k = 0.0957 0.0277-0.1721 ( 3900 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0092 -8.0092 -7.3028 -7.3028 0.5850 0.5850 2.4998 2.4998 2.9662 2.9662 3.1848 3.1848 4.1576 4.1576 4.3987 4.3987 5.5845 5.5845 5.8259 5.8259 6.0106 6.0106 6.4746 6.4746 7.3267 7.3267 9.2713 9.2713 k = 0.1064 0.0308-0.1913 ( 3896 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -7.9979 -7.9979 -7.3030 -7.3030 0.6089 0.6089 2.4676 2.4676 2.9439 2.9439 3.1518 3.1518 4.0999 4.0999 4.3750 4.3750 5.5869 5.5869 5.8357 5.8357 6.0350 6.0350 6.4600 6.4600 7.3194 7.3194 9.3515 9.3515 k = 0.1170 0.0338-0.2104 ( 3903 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5860 -36.5860 -36.5383 -36.5383 -7.9856 -7.9856 -7.3032 -7.3032 0.6347 0.6347 2.4312 2.4312 2.9210 2.9210 3.1152 3.1152 4.0430 4.0430 4.3497 4.3497 5.5886 5.5886 5.8460 5.8460 6.0592 6.0592 6.4467 6.4467 7.3123 7.3123 9.4345 9.4345 k = 0.1277 0.0369-0.2295 ( 3904 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5860 -36.5860 -36.5384 -36.5384 -7.9722 -7.9722 -7.3035 -7.3035 0.6623 0.6623 2.3906 2.3906 2.8969 2.8969 3.0762 3.0762 3.9877 3.9877 4.3229 4.3229 5.5898 5.5898 5.8566 5.8566 6.0827 6.0827 6.4355 6.4355 7.3055 7.3055 9.5191 9.5191 k = 0.1383 0.0400-0.2486 ( 3904 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5860 -36.5860 -36.5384 -36.5384 -7.9579 -7.9579 -7.3037 -7.3037 0.6915 0.6915 2.3461 2.3461 2.8704 2.8704 3.0367 3.0367 3.9346 3.9346 4.2948 4.2948 5.5903 5.5903 5.8674 5.8674 6.1045 6.1045 6.4270 6.4270 7.2991 7.2991 9.6038 9.6038 k = 0.1489 0.0431-0.2678 ( 3902 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5860 -36.5860 -36.5384 -36.5384 -7.9426 -7.9426 -7.3039 -7.3039 0.7218 0.7218 2.2978 2.2978 2.8398 2.8398 2.9993 2.9993 3.8838 3.8838 4.2657 4.2657 5.5902 5.5902 5.8784 5.8784 6.1241 6.1241 6.4221 6.4221 7.2935 7.2935 9.6869 9.6869 k = 0.1596 0.0461-0.2869 ( 3904 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5860 -36.5860 -36.5384 -36.5384 -7.9265 -7.9265 -7.3042 -7.3042 0.7532 0.7532 2.2460 2.2460 2.8034 2.8034 2.9663 2.9663 3.8357 3.8357 4.2357 4.2357 5.5894 5.5894 5.8893 5.8893 6.1407 6.1407 6.4212 6.4212 7.2885 7.2885 9.7667 9.7667 k = 0.1702 0.0492-0.3060 ( 3906 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5860 -36.5860 -36.5384 -36.5384 -7.9095 -7.9095 -7.3044 -7.3044 0.7851 0.7851 2.1907 2.1907 2.7610 2.7610 2.9393 2.9393 3.7900 3.7900 4.2049 4.2049 5.5881 5.5881 5.9002 5.9002 6.1538 6.1538 6.4249 6.4249 7.2844 7.2844 9.8417 9.8417 k = 0.1809 0.0523-0.3251 ( 3912 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5860 -36.5860 -36.5385 -36.5385 -7.8917 -7.8917 -7.3046 -7.3046 0.8171 0.8171 2.1323 2.1323 2.7139 2.7139 2.9178 2.9178 3.7468 3.7468 4.1736 4.1736 5.5861 5.5861 5.9110 5.9110 6.1633 6.1633 6.4333 6.4333 7.2812 7.2812 9.9101 9.9101 k = 0.1915 0.0554-0.3443 ( 3916 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5861 -36.5861 -36.5385 -36.5385 -7.8732 -7.8732 -7.3048 -7.3048 0.8489 0.8489 2.0710 2.0710 2.6645 2.6645 2.9008 2.9008 3.7058 3.7058 4.1419 4.1419 5.5836 5.5836 5.9216 5.9216 6.1693 6.1693 6.4460 6.4460 7.2791 7.2791 9.9704 9.9704 k = 0.2021 0.0584-0.3634 ( 3919 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5861 -36.5861 -36.5385 -36.5385 -7.8540 -7.8540 -7.3050 -7.3050 0.8798 0.8798 2.0070 2.0070 2.6153 2.6153 2.8870 2.8870 3.6668 3.6668 4.1100 4.1100 5.5805 5.5805 5.9319 5.9319 6.1724 6.1724 6.4624 6.4624 7.2779 7.2779 10.0210 10.0210 k = 0.2128 0.0615-0.3825 ( 3919 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5861 -36.5861 -36.5386 -36.5386 -7.8343 -7.8343 -7.3051 -7.3051 0.9092 0.9092 1.9407 1.9407 2.5681 2.5681 2.8757 2.8757 3.6297 3.6297 4.0779 4.0779 5.5769 5.5769 5.9419 5.9419 6.1733 6.1733 6.4817 6.4817 7.2779 7.2779 10.0608 10.0608 k = 0.2234 0.0646-0.4016 ( 3919 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5861 -36.5861 -36.5386 -36.5386 -7.8141 -7.8141 -7.3053 -7.3053 0.9365 0.9365 1.8725 1.8725 2.5246 2.5246 2.8661 2.8661 3.5942 3.5942 4.0459 4.0459 5.5726 5.5726 5.9516 5.9516 6.1728 6.1728 6.5030 6.5030 7.2790 7.2790 10.0888 10.0888 k = 0.2340 0.0677-0.4208 ( 3931 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5862 -36.5862 -36.5386 -36.5386 -7.7934 -7.7934 -7.3054 -7.3054 0.9609 0.9609 1.8028 1.8028 2.4861 2.4861 2.8580 2.8580 3.5604 3.5604 4.0141 4.0141 5.5678 5.5678 5.9608 5.9608 6.1714 6.1714 6.5256 6.5256 7.2810 7.2810 10.1044 10.1044 k = 0.2447 0.0707-0.4399 ( 3932 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5862 -36.5862 -36.5387 -36.5387 -7.7724 -7.7724 -7.3055 -7.3055 0.9816 0.9816 1.7322 1.7322 2.4535 2.4535 2.8511 2.8511 3.5280 3.5280 3.9825 3.9825 5.5624 5.5624 5.9697 5.9697 6.1696 6.1696 6.5490 6.5490 7.2842 7.2842 10.1060 10.1060 k = 0.2553 0.0738-0.4590 ( 3930 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5862 -36.5862 -36.5387 -36.5387 -7.7511 -7.7511 -7.3056 -7.3056 0.9979 0.9979 1.6614 1.6614 2.4276 2.4276 2.8453 2.8453 3.4970 3.4970 3.9513 3.9513 5.5565 5.5565 5.9781 5.9781 6.1676 6.1676 6.5728 6.5728 7.2883 7.2883 10.0882 10.0882 k = 0.2660 0.0769-0.4781 ( 3930 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5862 -36.5862 -36.5387 -36.5387 -7.7296 -7.7296 -7.3056 -7.3056 1.0088 1.0088 1.5913 1.5913 2.4089 2.4089 2.8406 2.8406 3.4674 3.4674 3.9206 3.9206 5.5501 5.5501 5.9861 5.9861 6.1657 6.1657 6.5967 6.5967 7.2933 7.2933 10.0437 10.0437 k = 0.2766 0.0800-0.4973 ( 3932 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5862 -36.5862 -36.5387 -36.5387 -7.7080 -7.7080 -7.3057 -7.3057 1.0138 1.0138 1.5227 1.5227 2.3977 2.3977 2.8367 2.8367 3.4392 3.4392 3.8906 3.8906 5.5431 5.5431 5.9937 5.9937 6.1640 6.1640 6.6203 6.6203 7.2992 7.2992 9.9838 9.9838 k = 0.2872 0.0831-0.5164 ( 3942 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5862 -36.5862 -36.5388 -36.5388 -7.6864 -7.6864 -7.3058 -7.3058 1.0121 1.0121 1.4567 1.4567 2.3938 2.3938 2.8337 2.8337 3.4124 3.4124 3.8613 3.8613 5.5356 5.5356 6.0008 6.0008 6.1625 6.1625 6.6435 6.6435 7.3058 7.3058 9.9190 9.9190 k = 0.2979 0.0861-0.5355 ( 3943 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5863 -36.5863 -36.5388 -36.5388 -7.6649 -7.6649 -7.3058 -7.3058 1.0030 1.0030 1.3943 1.3943 2.3970 2.3970 2.8317 2.8317 3.3870 3.3870 3.8328 3.8328 5.5276 5.5276 6.0075 6.0075 6.1614 6.1614 6.6662 6.6662 7.3130 7.3130 9.8520 9.8520 k = 0.3085 0.0892-0.5546 ( 3945 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5863 -36.5863 -36.5389 -36.5389 -7.6436 -7.6436 -7.3059 -7.3059 0.9863 0.9863 1.3368 1.3368 2.4066 2.4066 2.8306 2.8306 3.3630 3.3630 3.8053 3.8053 5.5192 5.5192 6.0137 6.0137 6.1607 6.1607 6.6882 6.6882 7.3208 7.3208 9.7835 9.7835 k = 0.3191 0.0923-0.5738 ( 3952 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5863 -36.5863 -36.5389 -36.5389 -7.6226 -7.6226 -7.3059 -7.3059 0.9618 0.9618 1.2849 1.2849 2.4219 2.4219 2.8305 2.8305 3.3405 3.3405 3.7789 3.7789 5.5104 5.5104 6.0196 6.0196 6.1602 6.1602 6.7094 6.7094 7.3290 7.3290 9.7139 9.7139 k = 0.3298 0.0954-0.5929 ( 3951 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5863 -36.5863 -36.5389 -36.5389 -7.6020 -7.6020 -7.3060 -7.3060 0.9301 0.9301 1.2392 1.2392 2.4417 2.4417 2.8314 2.8314 3.3195 3.3195 3.7537 3.7537 5.5011 5.5011 6.0251 6.0251 6.1601 6.1601 6.7298 6.7298 7.3376 7.3376 9.6435 9.6435 k = 0.3404 0.0984-0.6120 ( 3952 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5389 -36.5389 -7.5820 -7.5820 -7.3061 -7.3061 0.8923 0.8923 1.1994 1.1994 2.4649 2.4649 2.8336 2.8336 3.3001 3.3001 3.7300 3.7300 5.4915 5.4915 6.0303 6.0303 6.1603 6.1603 6.7492 6.7492 7.3463 7.3463 9.5725 9.5725 k = 0.3511 0.1015-0.6311 ( 3958 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5390 -36.5390 -7.5625 -7.5625 -7.3063 -7.3063 0.8502 0.8502 1.1647 1.1647 2.4904 2.4904 2.8371 2.8371 3.2823 3.2823 3.7077 3.7077 5.4816 5.4816 6.0350 6.0350 6.1607 6.1607 6.7676 6.7676 7.3550 7.3550 9.5014 9.5014 k = 0.3617 0.1046-0.6503 ( 3959 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5390 -36.5390 -7.5437 -7.5437 -7.3065 -7.3065 0.8058 0.8058 1.1341 1.1341 2.5169 2.5169 2.8421 2.8421 3.2660 3.2660 3.6872 3.6872 5.4715 5.4715 6.0394 6.0394 6.1613 6.1613 6.7850 6.7850 7.3638 7.3638 9.4308 9.4308 k = 0.3723 0.1077-0.6694 ( 3958 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5390 -36.5390 -7.5257 -7.5257 -7.3067 -7.3067 0.7606 0.7606 1.1067 1.1067 2.5432 2.5432 2.8487 2.8487 3.2514 3.2514 3.6684 3.6684 5.4613 5.4613 6.0434 6.0434 6.1621 6.1621 6.8013 6.8013 7.3724 7.3724 9.3612 9.3612 k = 0.3830 0.1107-0.6885 ( 3950 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5390 -36.5390 -7.5086 -7.5086 -7.3070 -7.3070 0.7160 0.7160 1.0821 1.0821 2.5683 2.5683 2.8569 2.8569 3.2383 3.2383 3.6517 3.6517 5.4510 5.4510 6.0471 6.0471 6.1630 6.1630 6.8164 6.8164 7.3807 7.3807 9.2935 9.2935 k = 0.3936 0.1138-0.7077 ( 3944 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5391 -36.5391 -7.4925 -7.4925 -7.3074 -7.3074 0.6732 0.6732 1.0597 1.0597 2.5911 2.5911 2.8669 2.8669 3.2267 3.2267 3.6371 3.6371 5.4409 5.4409 6.0506 6.0506 6.1639 6.1639 6.8304 6.8304 7.3887 7.3887 9.2284 9.2284 k = 0.4043 0.1169-0.7268 ( 3944 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5391 -36.5391 -7.4774 -7.4774 -7.3078 -7.3078 0.6329 0.6329 1.0394 1.0394 2.6113 2.6113 2.8784 2.8784 3.2165 3.2165 3.6247 3.6247 5.4309 5.4309 6.0536 6.0536 6.1649 6.1649 6.8431 6.8431 7.3963 7.3963 9.1667 9.1667 k = 0.4149 0.1200-0.7459 ( 3940 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5391 -36.5391 -7.4636 -7.4636 -7.3083 -7.3083 0.5957 0.5957 1.0211 1.0211 2.6283 2.6283 2.8909 2.8909 3.2078 3.2078 3.6146 3.6146 5.4213 5.4213 6.0564 6.0564 6.1658 6.1658 6.8546 6.8546 7.4033 7.4033 9.1090 9.1090 k = 0.4255 0.1230-0.7650 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5391 -36.5391 -7.4511 -7.4511 -7.3089 -7.3089 0.5621 0.5621 1.0048 1.0048 2.6422 2.6422 2.9038 2.9038 3.2002 3.2002 3.6066 3.6066 5.4122 5.4122 6.0588 6.0588 6.1667 6.1667 6.8648 6.8648 7.4097 7.4097 9.0563 9.0563 k = 0.4362 0.1261-0.7842 ( 3940 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4399 -7.4399 -7.3095 -7.3095 0.5323 0.5323 0.9906 0.9906 2.6534 2.6534 2.9165 2.9165 3.1938 3.1938 3.6007 3.6007 5.4037 5.4037 6.0609 6.0609 6.1675 6.1675 6.8737 6.8737 7.4153 7.4153 9.0090 9.0090 k = 0.4468 0.1292-0.8033 ( 3940 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4302 -7.4302 -7.3101 -7.3101 0.5067 0.5067 0.9784 0.9784 2.6620 2.6620 2.9284 2.9284 3.1884 3.1884 3.5966 3.5966 5.3962 5.3962 6.0627 6.0627 6.1682 6.1682 6.8813 6.8813 7.4202 7.4202 8.9679 8.9679 k = 0.4574 0.1323-0.8224 ( 3942 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5865 -36.5865 -36.5391 -36.5391 -7.4220 -7.4220 -7.3108 -7.3108 0.4856 0.4856 0.9683 0.9683 2.6684 2.6684 2.9388 2.9388 3.1840 3.1840 3.5941 3.5941 5.3897 5.3897 6.0642 6.0642 6.1688 6.1688 6.8875 6.8875 7.4243 7.4243 8.9335 8.9335 k = 0.4681 0.1353-0.8415 ( 3938 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4155 -7.4155 -7.3114 -7.3114 0.4689 0.4689 0.9605 0.9605 2.6731 2.6731 2.9473 2.9473 3.1806 3.1806 3.5926 3.5926 5.3845 5.3845 6.0654 6.0654 6.1692 6.1692 6.8924 6.8924 7.4275 7.4275 8.9063 8.9063 k = 0.4787 0.1384-0.8607 ( 3931 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4108 -7.4108 -7.3119 -7.3119 0.4570 0.4570 0.9548 0.9548 2.6763 2.6763 2.9535 2.9535 3.1781 3.1781 3.5919 3.5919 5.3806 5.3806 6.0662 6.0662 6.1696 6.1696 6.8959 6.8959 7.4299 7.4299 8.8866 8.8866 k = 0.4894 0.1415-0.8798 ( 3931 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4079 -7.4079 -7.3122 -7.3122 0.4497 0.4497 0.9514 0.9514 2.6781 2.6781 2.9574 2.9574 3.1766 3.1766 3.5916 3.5916 5.3782 5.3782 6.0667 6.0667 6.1698 6.1698 6.8980 6.8980 7.4313 7.4313 8.8747 8.8747 k = 0.5000 0.1446-0.8989 ( 3932 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4070 -7.4070 -7.3123 -7.3123 0.4473 0.4473 0.9503 0.9503 2.6787 2.6787 2.9587 2.9587 3.1761 3.1761 3.5916 3.5916 5.3774 5.3774 6.0669 6.0669 6.1699 6.1699 6.8986 6.8986 7.4317 7.4317 8.8707 8.8707 k = 0.5000 0.1446-0.8989 ( 3932 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4070 -7.4070 -7.3123 -7.3123 0.4473 0.4473 0.9503 0.9503 2.6787 2.6787 2.9587 2.9587 3.1761 3.1761 3.5916 3.5916 5.3774 5.3774 6.0669 6.0669 6.1699 6.1699 6.8986 6.8986 7.4317 7.4317 8.8707 8.8707 k = 0.5172 0.1495-0.8886 ( 3931 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4074 -7.4074 -7.3120 -7.3120 0.4480 0.4480 0.9516 0.9516 2.6773 2.6773 2.9587 2.9587 3.1746 3.1746 3.5918 3.5918 5.3777 5.3777 6.0668 6.0668 6.1699 6.1699 6.8972 6.8972 7.4310 7.4310 8.8717 8.8717 k = 0.5344 0.1545-0.8782 ( 3931 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4087 -7.4087 -7.3113 -7.3113 0.4501 0.4501 0.9555 0.9555 2.6732 2.6732 2.9586 2.9586 3.1701 3.1701 3.5924 3.5924 5.3785 5.3785 6.0668 6.0668 6.1701 6.1701 6.8928 6.8928 7.4287 7.4287 8.8750 8.8750 k = 0.5516 0.1595-0.8678 ( 3940 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5392 -36.5392 -7.4108 -7.4108 -7.3101 -7.3101 0.4537 0.4537 0.9620 0.9620 2.6663 2.6663 2.9585 2.9585 3.1628 3.1628 3.5933 3.5933 5.3798 5.3798 6.0666 6.0666 6.1703 6.1703 6.8856 6.8856 7.4251 7.4251 8.8810 8.8810 k = 0.5687 0.1644-0.8575 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4137 -7.4137 -7.3084 -7.3084 0.4586 0.4586 0.9710 0.9710 2.6566 2.6566 2.9583 2.9583 3.1530 3.1530 3.5945 3.5945 5.3816 5.3816 6.0664 6.0664 6.1706 6.1706 6.8760 6.8760 7.4201 7.4201 8.8904 8.8904 k = 0.5687 0.1644-0.8575 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4137 -7.4137 -7.3084 -7.3084 0.4586 0.4586 0.9710 0.9710 2.6566 2.6566 2.9583 2.9583 3.1530 3.1530 3.5945 3.5945 5.3816 5.3816 6.0664 6.0664 6.1706 6.1706 6.8760 6.8760 7.4201 7.4201 8.8904 8.8904 k = 0.5671 0.1640-0.8356 ( 3930 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4176 -7.4176 -7.3088 -7.3088 0.4628 0.4628 0.9801 0.9801 2.6560 2.6560 2.9659 2.9659 3.1494 3.1494 3.5994 3.5994 5.3808 5.3808 6.0658 6.0658 6.1712 6.1712 6.8674 6.8674 7.4200 7.4200 8.8866 8.8866 k = 0.5654 0.1635-0.8136 ( 3934 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4233 -7.4233 -7.3094 -7.3094 0.4711 0.4711 0.9922 0.9922 2.6549 2.6549 2.9730 2.9730 3.1465 3.1465 3.6054 3.6054 5.3807 5.3807 6.0647 6.0647 6.1717 6.1717 6.8568 6.8568 7.4196 7.4196 8.8881 8.8881 k = 0.5637 0.1630-0.7917 ( 3938 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4308 -7.4308 -7.3103 -7.3103 0.4832 0.4832 1.0072 1.0072 2.6535 2.6535 2.9795 2.9795 3.1446 3.1446 3.6123 3.6123 5.3815 5.3815 6.0633 6.0633 6.1723 6.1723 6.8442 6.8442 7.4189 7.4189 8.8949 8.8949 k = 0.5620 0.1625-0.7698 ( 3938 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5391 -36.5391 -7.4397 -7.4397 -7.3116 -7.3116 0.4991 0.4991 1.0251 1.0251 2.6519 2.6519 2.9852 2.9852 3.1439 3.1439 3.6199 3.6199 5.3832 5.3832 6.0615 6.0615 6.1730 6.1730 6.8298 6.8298 7.4179 7.4179 8.9073 8.9073 k = 0.5604 0.1620-0.7479 ( 3940 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5391 -36.5391 -7.4500 -7.4500 -7.3133 -7.3133 0.5187 0.5187 1.0459 1.0459 2.6502 2.6502 2.9896 2.9896 3.1449 3.1449 3.6282 3.6282 5.3857 5.3857 6.0593 6.0593 6.1738 6.1738 6.8136 6.8136 7.4167 7.4167 8.9254 8.9254 k = 0.5587 0.1615-0.7259 ( 3940 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5391 -36.5391 -7.4614 -7.4614 -7.3157 -7.3157 0.5417 0.5417 1.0693 1.0693 2.6487 2.6487 2.9926 2.9926 3.1477 3.1477 3.6370 3.6370 5.3890 5.3890 6.0567 6.0567 6.1746 6.1746 6.7958 6.7958 7.4153 7.4153 8.9493 8.9493 k = 0.5570 0.1611-0.7040 ( 3934 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5864 -36.5864 -36.5391 -36.5391 -7.4739 -7.4739 -7.3187 -7.3187 0.5681 0.5681 1.0954 1.0954 2.6475 2.6475 2.9941 2.9941 3.1525 3.1525 3.6463 3.6463 5.3933 5.3933 6.0537 6.0537 6.1757 6.1757 6.7765 6.7765 7.4138 7.4138 8.9790 8.9790 k = 0.5553 0.1606-0.6821 ( 3930 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5863 -36.5863 -36.5390 -36.5390 -7.4873 -7.4873 -7.3223 -7.3223 0.5975 0.5975 1.1240 1.1240 2.6468 2.6468 2.9941 2.9941 3.1594 3.1594 3.6560 3.6560 5.3983 5.3983 6.0503 6.0503 6.1769 6.1769 6.7559 6.7559 7.4121 7.4121 9.0144 9.0144 k = 0.5537 0.1601-0.6602 ( 3930 PWs) bands (ev): -65.5210 -65.5210 -37.5893 -37.5893 -36.5863 -36.5863 -36.5390 -36.5390 -7.5015 -7.5015 -7.3266 -7.3266 0.6298 0.6298 1.1548 1.1548 2.6467 2.6467 2.9928 2.9928 3.1682 3.1682 3.6660 3.6660 5.4041 5.4041 6.0465 6.0465 6.1784 6.1784 6.7341 6.7341 7.4103 7.4103 9.0555 9.0555 k = 0.5520 0.1596-0.6382 ( 3932 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5863 -36.5863 -36.5390 -36.5390 -7.5164 -7.5164 -7.3315 -7.3315 0.6646 0.6646 1.1879 1.1879 2.6476 2.6476 2.9903 2.9903 3.1787 3.1787 3.6765 3.6765 5.4106 5.4106 6.0422 6.0422 6.1801 6.1801 6.7112 6.7112 7.4085 7.4085 9.1021 9.1021 k = 0.5503 0.1591-0.6163 ( 3938 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5863 -36.5863 -36.5390 -36.5390 -7.5319 -7.5319 -7.3370 -7.3370 0.7017 0.7017 1.2230 1.2230 2.6496 2.6496 2.9870 2.9870 3.1906 3.1906 3.6874 3.6874 5.4178 5.4178 6.0374 6.0374 6.1822 6.1822 6.6874 6.6874 7.4067 7.4067 9.1541 9.1541 k = 0.5486 0.1586-0.5944 ( 3940 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5863 -36.5863 -36.5389 -36.5389 -7.5479 -7.5479 -7.3431 -7.3431 0.7406 0.7406 1.2599 1.2599 2.6529 2.6529 2.9831 2.9831 3.2037 3.2037 3.6988 3.6988 5.4256 5.4256 6.0321 6.0321 6.1848 6.1848 6.6628 6.6628 7.4048 7.4048 9.2111 9.2111 k = 0.5469 0.1581-0.5725 ( 3940 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5863 -36.5863 -36.5389 -36.5389 -7.5642 -7.5642 -7.3497 -7.3497 0.7810 0.7810 1.2984 1.2984 2.6578 2.6578 2.9789 2.9789 3.2177 3.2177 3.7106 3.7106 5.4339 5.4339 6.0264 6.0264 6.1880 6.1880 6.6375 6.6375 7.4031 7.4031 9.2729 9.2729 k = 0.5453 0.1577-0.5505 ( 3942 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5863 -36.5863 -36.5389 -36.5389 -7.5809 -7.5809 -7.3568 -7.3568 0.8225 0.8225 1.3385 1.3385 2.6646 2.6646 2.9746 2.9746 3.2323 3.2323 3.7231 3.7231 5.4428 5.4428 6.0201 6.0201 6.1919 6.1919 6.6115 6.6115 7.4014 7.4014 9.3393 9.3393 k = 0.5436 0.1572-0.5286 ( 3942 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5863 -36.5863 -36.5388 -36.5388 -7.5978 -7.5978 -7.3643 -7.3643 0.8647 0.8647 1.3798 1.3798 2.6733 2.6733 2.9704 2.9704 3.2475 3.2475 3.7361 3.7361 5.4521 5.4521 6.0133 6.0133 6.1966 6.1966 6.5851 6.5851 7.3998 7.3998 9.4098 9.4098 k = 0.5419 0.1567-0.5067 ( 3940 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5862 -36.5862 -36.5388 -36.5388 -7.6149 -7.6149 -7.3722 -7.3722 0.9070 0.9070 1.4222 1.4222 2.6843 2.6843 2.9665 2.9665 3.2631 3.2631 3.7499 3.7499 5.4617 5.4617 6.0059 6.0059 6.2022 6.2022 6.5582 6.5582 7.3984 7.3984 9.4842 9.4842 k = 0.5402 0.1562-0.4848 ( 3948 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5862 -36.5862 -36.5388 -36.5388 -7.6319 -7.6319 -7.3803 -7.3803 0.9489 0.9489 1.4656 1.4656 2.6975 2.6975 2.9630 2.9630 3.2789 3.2789 3.7644 3.7644 5.4715 5.4715 5.9980 5.9980 6.2089 6.2089 6.5310 6.5310 7.3972 7.3972 9.5619 9.5619 k = 0.5386 0.1557-0.4628 ( 3943 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5862 -36.5862 -36.5387 -36.5387 -7.6490 -7.6490 -7.3888 -7.3888 0.9900 0.9900 1.5100 1.5100 2.7129 2.7129 2.9603 2.9603 3.2949 3.2949 3.7799 3.7799 5.4816 5.4816 5.9896 5.9896 6.2167 6.2167 6.5035 6.5035 7.3962 7.3962 9.6425 9.6425 k = 0.5369 0.1552-0.4409 ( 3941 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5862 -36.5862 -36.5387 -36.5387 -7.6659 -7.6659 -7.3974 -7.3974 1.0298 1.0298 1.5551 1.5551 2.7302 2.7302 2.9586 2.9586 3.3111 3.3111 3.7963 3.7963 5.4916 5.4916 5.9806 5.9806 6.2257 6.2257 6.4759 6.4759 7.3954 7.3954 9.7255 9.7255 k = 0.5352 0.1548-0.4190 ( 3943 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5862 -36.5862 -36.5387 -36.5387 -7.6827 -7.6827 -7.4061 -7.4061 1.0677 1.0677 1.6010 1.6010 2.7491 2.7491 2.9584 2.9584 3.3274 3.3274 3.8138 3.8138 5.5017 5.5017 5.9711 5.9711 6.2358 6.2358 6.4484 6.4484 7.3949 7.3949 9.8103 9.8103 k = 0.5335 0.1543-0.3971 ( 3941 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5861 -36.5861 -36.5386 -36.5386 -7.6992 -7.6992 -7.4148 -7.4148 1.1033 1.1033 1.6475 1.6475 2.7686 2.7686 2.9603 2.9603 3.3440 3.3440 3.8325 3.8325 5.5116 5.5116 5.9610 5.9610 6.2466 6.2466 6.4215 6.4215 7.3946 7.3946 9.8961 9.8961 k = 0.5319 0.1538-0.3751 ( 3938 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5861 -36.5861 -36.5386 -36.5386 -7.7153 -7.7153 -7.4236 -7.4236 1.1362 1.1362 1.6948 1.6948 2.7875 2.7875 2.9651 2.9651 3.3609 3.3609 3.8524 3.8524 5.5213 5.5213 5.9505 5.9505 6.2571 6.2571 6.3962 6.3962 7.3947 7.3947 9.9823 9.9823 k = 0.5302 0.1533-0.3532 ( 3942 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5861 -36.5861 -36.5386 -36.5386 -7.7311 -7.7311 -7.4323 -7.4323 1.1662 1.1662 1.7426 1.7426 2.8043 2.8043 2.9738 2.9738 3.3785 3.3785 3.8736 3.8736 5.5307 5.5307 5.9395 5.9395 6.2648 6.2648 6.3751 6.3751 7.3951 7.3951 10.0677 10.0677 k = 0.5285 0.1528-0.3313 ( 3946 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5861 -36.5861 -36.5386 -36.5386 -7.7464 -7.7464 -7.4409 -7.4409 1.1932 1.1932 1.7908 1.7908 2.8177 2.8177 2.9870 2.9870 3.3970 3.3970 3.8962 3.8962 5.5397 5.5397 5.9282 5.9282 6.2645 6.2645 6.3634 6.3634 7.3958 7.3958 10.1511 10.1511 k = 0.5268 0.1523-0.3094 ( 3944 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5861 -36.5861 -36.5385 -36.5385 -7.7611 -7.7611 -7.4493 -7.4493 1.2170 1.2170 1.8395 1.8395 2.8268 2.8268 3.0047 3.0047 3.4168 3.4168 3.9202 3.9202 5.5482 5.5482 5.9166 5.9166 6.2517 6.2517 6.3656 6.3656 7.3969 7.3969 10.2307 10.2307 k = 0.5251 0.1518-0.2874 ( 3940 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5861 -36.5861 -36.5385 -36.5385 -7.7753 -7.7753 -7.4574 -7.4574 1.2377 1.2377 1.8882 1.8882 2.8318 2.8318 3.0256 3.0256 3.4382 3.4382 3.9458 3.9458 5.5562 5.5562 5.9048 5.9048 6.2289 6.2289 6.3793 6.3793 7.3983 7.3983 10.3040 10.3040 k = 0.5235 0.1514-0.2655 ( 3934 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5860 -36.5860 -36.5384 -36.5384 -7.7888 -7.7888 -7.4653 -7.4653 1.2555 1.2555 1.9370 1.9370 2.8333 2.8333 3.0482 3.0482 3.4615 3.4615 3.9728 3.9728 5.5637 5.5637 5.8927 5.8927 6.2007 6.2007 6.3995 6.3995 7.4001 7.4001 10.3667 10.3667 k = 0.5218 0.1509-0.2436 ( 3934 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5860 -36.5860 -36.5384 -36.5384 -7.8016 -7.8016 -7.4728 -7.4728 1.2706 1.2706 1.9854 1.9854 2.8321 2.8321 3.0706 3.0706 3.4868 3.4868 4.0015 4.0015 5.5706 5.5706 5.8807 5.8807 6.1699 6.1699 6.4236 6.4236 7.4021 7.4021 10.4105 10.4105 k = 0.5201 0.1504-0.2217 ( 3935 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5860 -36.5860 -36.5384 -36.5384 -7.8137 -7.8137 -7.4800 -7.4800 1.2832 1.2832 2.0332 2.0332 2.8289 2.8289 3.0916 3.0916 3.5142 3.5142 4.0316 4.0316 5.5769 5.5769 5.8686 5.8686 6.1375 6.1375 6.4501 6.4501 7.4045 7.4045 10.4043 10.4043 k = 0.5184 0.1499-0.1997 ( 3935 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5860 -36.5860 -36.5384 -36.5384 -7.8249 -7.8249 -7.4867 -7.4867 1.2935 1.2935 2.0800 2.0800 2.8240 2.8240 3.1102 3.1102 3.5431 3.5431 4.0633 4.0633 5.5825 5.5825 5.8568 5.8568 6.1044 6.1044 6.4783 6.4783 7.4072 7.4072 10.3188 10.3188 k = 0.5168 0.1494-0.1778 ( 3935 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5860 -36.5860 -36.5384 -36.5384 -7.8354 -7.8354 -7.4930 -7.4930 1.3019 1.3019 2.1256 2.1256 2.8177 2.8177 3.1261 3.1261 3.5729 3.5729 4.0963 4.0963 5.5874 5.5874 5.8452 5.8452 6.0710 6.0710 6.5075 6.5075 7.4102 7.4102 10.2113 10.2113 k = 0.5151 0.1489-0.1559 ( 3932 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5860 -36.5860 -36.5383 -36.5383 -7.8449 -7.8449 -7.4988 -7.4988 1.3087 1.3087 2.1696 2.1696 2.8103 2.8103 3.1392 3.1392 3.6028 3.6028 4.1304 4.1304 5.5917 5.5917 5.8341 5.8341 6.0378 6.0378 6.5371 6.5371 7.4135 7.4135 10.1038 10.1038 k = 0.5134 0.1485-0.1340 ( 3923 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -7.8535 -7.8535 -7.5041 -7.5041 1.3140 1.3140 2.2116 2.2116 2.8019 2.8019 3.1496 3.1496 3.6318 3.6318 4.1650 4.1650 5.5952 5.5952 5.8235 5.8235 6.0054 6.0054 6.5665 6.5665 7.4169 7.4169 10.0012 10.0012 k = 0.5117 0.1480-0.1120 ( 3920 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -7.8612 -7.8612 -7.5089 -7.5089 1.3182 1.3182 2.2512 2.2512 2.7927 2.7927 3.1577 3.1577 3.6591 3.6591 4.1995 4.1995 5.5979 5.5979 5.8136 5.8136 5.9743 5.9743 6.5948 6.5948 7.4204 7.4204 9.9057 9.9057 k = 0.5101 0.1475-0.0901 ( 3926 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -7.8680 -7.8680 -7.5130 -7.5130 1.3213 1.3213 2.2879 2.2879 2.7829 2.7829 3.1639 3.1639 3.6838 3.6838 4.2331 4.2331 5.5999 5.5999 5.8045 5.8045 5.9454 5.9454 6.6214 6.6214 7.4240 7.4240 9.8192 9.8192 k = 0.5084 0.1470-0.0682 ( 3920 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -7.8737 -7.8737 -7.5165 -7.5165 1.3237 1.3237 2.3211 2.3211 2.7729 2.7729 3.1685 3.1685 3.7055 3.7055 4.2645 4.2645 5.6012 5.6012 5.7963 5.7963 5.9193 5.9193 6.6456 6.6456 7.4274 7.4274 9.7430 9.7430 k = 0.5067 0.1465-0.0463 ( 3918 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -7.8784 -7.8784 -7.5195 -7.5195 1.3255 1.3255 2.3502 2.3502 2.7631 2.7631 3.1717 3.1717 3.7236 3.7236 4.2927 4.2927 5.6019 5.6019 5.7891 5.7891 5.8969 5.8969 6.6667 6.6667 7.4305 7.4305 9.6786 9.6786 k = 0.5050 0.1460-0.0243 ( 3918 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -7.8821 -7.8821 -7.5218 -7.5218 1.3267 1.3267 2.3743 2.3743 2.7542 2.7542 3.1740 3.1740 3.7379 3.7379 4.3164 4.3164 5.6021 5.6021 5.7831 5.7831 5.8789 5.8789 6.6839 6.6839 7.4332 7.4332 9.6270 9.6270 k = 0.5034 0.1455-0.0024 ( 3913 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -7.8847 -7.8847 -7.5234 -7.5234 1.3276 1.3276 2.3925 2.3925 2.7470 2.7470 3.1754 3.1754 3.7483 3.7483 4.3343 4.3343 5.6020 5.6020 5.7785 5.7785 5.8657 5.8657 6.6967 6.6967 7.4354 7.4354 9.5894 9.5894 k = 0.5017 0.1451 0.0195 ( 3913 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -7.8863 -7.8863 -7.5244 -7.5244 1.3280 1.3280 2.4039 2.4039 2.7422 2.7422 3.1763 3.1763 3.7545 3.7545 4.3455 4.3455 5.6018 5.6018 5.7756 5.7756 5.8578 5.8578 6.7046 6.7046 7.4367 7.4367 9.5664 9.5664 k = 0.5000 0.1446 0.0414 ( 3912 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -7.8869 -7.8869 -7.5247 -7.5247 1.3282 1.3282 2.4079 2.4079 2.7405 2.7405 3.1765 3.1765 3.7566 3.7566 4.3493 4.3493 5.6017 5.6017 5.7746 5.7746 5.8551 5.8551 6.7072 6.7072 7.4371 7.4371 9.5587 9.5587 k = 0.5000 0.1446 0.0414 ( 3912 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -7.8869 -7.8869 -7.5247 -7.5247 1.3282 1.3282 2.4079 2.4079 2.7405 2.7405 3.1765 3.1765 3.7566 3.7566 4.3493 4.3493 5.6017 5.6017 5.7746 5.7746 5.8551 5.8551 6.7072 6.7072 7.4371 7.4371 9.5587 9.5587 k = 0.5062 0.1232 0.0414 ( 3912 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -7.8862 -7.8862 -7.5243 -7.5243 1.3287 1.3287 2.4040 2.4040 2.7424 2.7424 3.1767 3.1767 3.7536 3.7536 4.3431 4.3431 5.6055 5.6055 5.7752 5.7752 5.8560 5.8560 6.7066 6.7066 7.4322 7.4322 9.5634 9.5634 k = 0.5124 0.1017 0.0414 ( 3916 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -7.8840 -7.8840 -7.5230 -7.5230 1.3304 1.3304 2.3927 2.3927 2.7478 2.7478 3.1773 3.1773 3.7447 3.7447 4.3252 4.3252 5.6164 5.6164 5.7768 5.7768 5.8589 5.8589 6.7049 6.7049 7.4176 7.4176 9.5773 9.5773 k = 0.5186 0.0803 0.0414 ( 3922 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -7.8805 -7.8805 -7.5207 -7.5207 1.3331 1.3331 2.3748 2.3748 2.7560 2.7560 3.1779 3.1779 3.7298 3.7298 4.2970 4.2970 5.6330 5.6330 5.7796 5.7796 5.8639 5.8639 6.7020 6.7020 7.3941 7.3941 9.5995 9.5995 k = 0.5248 0.0589 0.0414 ( 3928 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -7.8756 -7.8756 -7.5176 -7.5176 1.3368 1.3368 2.3514 2.3514 2.7658 2.7658 3.1784 3.1784 3.7088 3.7088 4.2607 4.2607 5.6534 5.6534 5.7836 5.7836 5.8715 5.8715 6.6980 6.6980 7.3631 7.3631 9.6292 9.6292 k = 0.5310 0.0375 0.0414 ( 3922 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -7.8693 -7.8693 -7.5137 -7.5137 1.3415 1.3415 2.3233 2.3233 2.7765 2.7765 3.1781 3.1781 3.6820 3.6820 4.2186 4.2186 5.6752 5.6752 5.7886 5.7886 5.8822 5.8822 6.6928 6.6928 7.3260 7.3260 9.6651 9.6651 k = 0.5371 0.0161 0.0414 ( 3930 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5384 -36.5384 -7.8617 -7.8617 -7.5088 -7.5088 1.3470 1.3470 2.2915 2.2915 2.7871 2.7871 3.1763 3.1763 3.6498 3.6498 4.1730 4.1730 5.6963 5.6963 5.7947 5.7947 5.8966 5.8966 6.6866 6.6866 7.2843 7.2843 9.7060 9.7060 k = 0.5433-0.0053 0.0414 ( 3934 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5385 -36.5385 -7.8527 -7.8527 -7.5032 -7.5032 1.3533 1.3533 2.2566 2.2566 2.7970 2.7970 3.1721 3.1721 3.6130 3.6130 4.1260 4.1260 5.7149 5.7149 5.8019 5.8019 5.9147 5.9147 6.6794 6.6794 7.2397 7.2397 9.7508 9.7508 k = 0.5495-0.0267 0.0414 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5386 -36.5386 -7.8425 -7.8425 -7.4967 -7.4967 1.3601 1.3601 2.2192 2.2192 2.8054 2.8054 3.1643 3.1643 3.5734 3.5734 4.0790 4.0790 5.7302 5.7302 5.8100 5.8100 5.9364 5.9364 6.6713 6.6713 7.1937 7.1937 9.7984 9.7984 k = 0.5557-0.0481 0.0414 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5386 -36.5386 -7.8309 -7.8309 -7.4895 -7.4895 1.3672 1.3672 2.1795 2.1795 2.8116 2.8116 3.1515 3.1515 3.5331 3.5331 4.0329 4.0329 5.7421 5.7421 5.8189 5.8189 5.9608 5.9608 6.6623 6.6623 7.1477 7.1477 9.8482 9.8482 k = 0.5619-0.0696 0.0414 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5859 -36.5859 -36.5387 -36.5387 -7.8182 -7.8182 -7.4814 -7.4814 1.3745 1.3745 2.1380 2.1380 2.8146 2.8146 3.1327 3.1327 3.4950 3.4950 3.9882 3.9882 5.7511 5.7511 5.8284 5.8284 5.9868 5.9868 6.6526 6.6526 7.1028 7.1028 9.8993 9.8993 k = 0.5681-0.0910 0.0414 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5859 -36.5859 -36.5388 -36.5388 -7.8042 -7.8042 -7.4727 -7.4727 1.3817 1.3817 2.0949 2.0949 2.8130 2.8130 3.1079 3.1079 3.4613 3.4613 3.9452 3.9452 5.7577 5.7577 5.8383 5.8383 6.0132 6.0132 6.6421 6.6421 7.0601 7.0601 9.9514 9.9514 k = 0.5743-0.1124 0.0414 ( 3928 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5859 -36.5859 -36.5389 -36.5389 -7.7892 -7.7892 -7.4633 -7.4633 1.3884 1.3884 2.0503 2.0503 2.8047 2.8047 3.0788 3.0788 3.4334 3.4334 3.9036 3.9036 5.7624 5.7624 5.8485 5.8485 6.0393 6.0393 6.6312 6.6312 7.0206 7.0206 10.0040 10.0040 k = 0.5805-0.1338 0.0414 ( 3932 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5859 -36.5859 -36.5390 -36.5390 -7.7730 -7.7730 -7.4532 -7.4532 1.3943 1.3943 2.0043 2.0043 2.7874 2.7874 3.0494 3.0494 3.4110 3.4110 3.8635 3.8635 5.7657 5.7657 5.8589 5.8589 6.0642 6.0642 6.6198 6.6198 6.9849 6.9849 10.0566 10.0566 k = 0.5867-0.1552 0.0414 ( 3918 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5859 -36.5859 -36.5391 -36.5391 -7.7559 -7.7559 -7.4425 -7.4425 1.3989 1.3989 1.9571 1.9571 2.7593 2.7593 3.0236 3.0236 3.3930 3.3930 3.8248 3.8248 5.7679 5.7679 5.8693 5.8693 6.0875 6.0875 6.6081 6.6081 6.9537 6.9537 10.1089 10.1089 k = 0.5929-0.1766 0.0414 ( 3916 PWs) bands (ev): -65.5209 -65.5209 -37.5891 -37.5891 -36.5859 -36.5859 -36.5392 -36.5392 -7.7378 -7.7378 -7.4313 -7.4313 1.4018 1.4018 1.9088 1.9088 2.7207 2.7207 3.0036 3.0036 3.3778 3.3778 3.7875 3.7875 5.7689 5.7689 5.8796 5.8796 6.1089 6.1089 6.5961 6.5961 6.9274 6.9274 10.1604 10.1604 k = 0.5991-0.1980 0.0414 ( 3924 PWs) bands (ev): -65.5209 -65.5209 -37.5892 -37.5892 -36.5859 -36.5859 -36.5393 -36.5393 -7.7188 -7.7188 -7.4195 -7.4195 1.4023 1.4023 1.8593 1.8593 2.6746 2.6746 2.9890 2.9890 3.3641 3.3641 3.7515 3.7515 5.7690 5.7690 5.8896 5.8896 6.1280 6.1280 6.5840 6.5840 6.9064 6.9064 10.2104 10.2104 k = 0.6053-0.2194 0.0414 ( 3922 PWs) bands (ev): -65.5209 -65.5209 -37.5892 -37.5892 -36.5859 -36.5859 -36.5394 -36.5394 -7.6990 -7.6990 -7.4073 -7.4073 1.3998 1.3998 1.8089 1.8089 2.6249 2.6249 2.9777 2.9777 3.3512 3.3512 3.7170 3.7170 5.7683 5.7683 5.8994 5.8994 6.1449 6.1449 6.5719 6.5719 6.8909 6.8909 10.2582 10.2582 k = 0.6114-0.2409 0.0414 ( 3918 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5859 -36.5859 -36.5395 -36.5395 -7.6784 -7.6784 -7.3946 -7.3946 1.3936 1.3936 1.7578 1.7578 2.5751 2.5751 2.9678 2.9678 3.3383 3.3383 3.6839 3.6839 5.7668 5.7668 5.9089 5.9089 6.1593 6.1593 6.5599 6.5599 6.8810 6.8810 10.3027 10.3027 k = 0.6176-0.2623 0.0414 ( 3914 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5859 -36.5859 -36.5397 -36.5397 -7.6572 -7.6572 -7.3816 -7.3816 1.3829 1.3829 1.7063 1.7063 2.5279 2.5279 2.9577 2.9577 3.3253 3.3253 3.6523 3.6523 5.7645 5.7645 5.9181 5.9181 6.1712 6.1712 6.5483 6.5483 6.8765 6.8765 10.3412 10.3412 k = 0.6238-0.2837 0.0414 ( 3918 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5859 -36.5859 -36.5398 -36.5398 -7.6355 -7.6355 -7.3683 -7.3683 1.3671 1.3671 1.6551 1.6551 2.4852 2.4852 2.9463 2.9463 3.3122 3.3122 3.6221 3.6221 5.7615 5.7615 5.9270 5.9270 6.1806 6.1806 6.5373 6.5373 6.8773 6.8773 10.3472 10.3472 k = 0.6300-0.3051 0.0414 ( 3918 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5859 -36.5859 -36.5399 -36.5399 -7.6133 -7.6133 -7.3547 -7.3547 1.3451 1.3451 1.6049 1.6049 2.4480 2.4480 2.9327 2.9327 3.2991 3.2991 3.5932 3.5932 5.7578 5.7578 5.9359 5.9359 6.1873 6.1873 6.5270 6.5270 6.8828 6.8828 10.2869 10.2869 k = 0.6362-0.3265 0.0414 ( 3908 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5859 -36.5859 -36.5400 -36.5400 -7.5907 -7.5907 -7.3410 -7.3410 1.3165 1.3165 1.5568 1.5568 2.4170 2.4170 2.9167 2.9167 3.2862 3.2862 3.5654 3.5654 5.7536 5.7536 5.9446 5.9446 6.1917 6.1917 6.5178 6.5178 6.8927 6.8927 10.2168 10.2168 k = 0.6424-0.3479 0.0414 ( 3904 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5859 -36.5859 -36.5401 -36.5401 -7.5678 -7.5678 -7.3271 -7.3271 1.2809 1.2809 1.5116 1.5116 2.3922 2.3922 2.8979 2.8979 3.2736 3.2736 3.5384 3.5384 5.7488 5.7488 5.9534 5.9534 6.1935 6.1935 6.5097 6.5097 6.9064 6.9064 10.1454 10.1454 k = 0.6486-0.3693 0.0414 ( 3908 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5859 -36.5859 -36.5403 -36.5403 -7.5448 -7.5448 -7.3132 -7.3132 1.2387 1.2387 1.4700 1.4700 2.3732 2.3732 2.8763 2.8763 3.2616 3.2616 3.5121 3.5121 5.7435 5.7435 5.9623 5.9623 6.1931 6.1931 6.5030 6.5030 6.9234 6.9234 10.0748 10.0748 k = 0.6548-0.3908 0.0414 ( 3906 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5859 -36.5859 -36.5404 -36.5404 -7.5218 -7.5218 -7.2993 -7.2993 1.1910 1.1910 1.4316 1.4316 2.3594 2.3594 2.8521 2.8521 3.2500 3.2500 3.4861 3.4861 5.7381 5.7381 5.9713 5.9713 6.1905 6.1905 6.4977 6.4977 6.9430 6.9430 10.0059 10.0059 k = 0.6610-0.4122 0.0414 ( 3902 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5859 -36.5859 -36.5405 -36.5405 -7.4987 -7.4987 -7.2855 -7.2855 1.1394 1.1394 1.3963 1.3963 2.3499 2.3499 2.8257 2.8257 3.2388 3.2388 3.4604 3.4604 5.7324 5.7324 5.9805 5.9805 6.1862 6.1862 6.4938 6.4938 6.9648 6.9648 9.9395 9.9395 k = 0.6672-0.4336 0.0414 ( 3908 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5860 -36.5860 -36.5407 -36.5407 -7.4759 -7.4759 -7.2718 -7.2718 1.0856 1.0856 1.3633 1.3633 2.3439 2.3439 2.7975 2.7975 3.2277 3.2277 3.4347 3.4347 5.7268 5.7268 5.9898 5.9898 6.1804 6.1804 6.4911 6.4911 6.9881 6.9881 9.8764 9.8764 k = 0.6734-0.4550 0.0414 ( 3908 PWs) bands (ev): -65.5208 -65.5208 -37.5897 -37.5897 -36.5860 -36.5860 -36.5408 -36.5408 -7.4533 -7.4533 -7.2584 -7.2584 1.0311 1.0311 1.3324 1.3324 2.3403 2.3403 2.7678 2.7678 3.2166 3.2166 3.4089 3.4089 5.7214 5.7214 5.9992 5.9992 6.1734 6.1734 6.4896 6.4896 7.0125 7.0125 9.8168 9.8168 k = 0.6796-0.4764 0.0414 ( 3914 PWs) bands (ev): -65.5208 -65.5208 -37.5898 -37.5898 -36.5860 -36.5860 -36.5409 -36.5409 -7.4312 -7.4312 -7.2452 -7.2452 0.9770 0.9770 1.3033 1.3033 2.3383 2.3383 2.7371 2.7371 3.2053 3.2053 3.3830 3.3830 5.7163 5.7163 6.0086 6.0086 6.1656 6.1656 6.4892 6.4892 7.0374 7.0374 9.7613 9.7613 k = 0.6857-0.4978 0.0414 ( 3924 PWs) bands (ev): -65.5209 -65.5209 -37.5899 -37.5899 -36.5860 -36.5860 -36.5410 -36.5410 -7.4095 -7.4095 -7.2323 -7.2323 0.9243 0.9243 1.2760 1.2760 2.3371 2.3371 2.7058 2.7058 3.1936 3.1936 3.3570 3.3570 5.7117 5.7117 6.0178 6.0178 6.1574 6.1574 6.4897 6.4897 7.0622 7.0622 9.7100 9.7100 k = 0.6919-0.5192 0.0414 ( 3924 PWs) bands (ev): -65.5208 -65.5208 -37.5899 -37.5899 -36.5860 -36.5860 -36.5411 -36.5411 -7.3885 -7.3885 -7.2199 -7.2199 0.8739 0.8739 1.2506 1.2506 2.3359 2.3359 2.6741 2.6741 3.1812 3.1812 3.3310 3.3310 5.7078 5.7078 6.0268 6.0268 6.1493 6.1493 6.4911 6.4911 7.0866 7.0866 9.6633 9.6633 k = 0.6981-0.5406 0.0414 ( 3922 PWs) bands (ev): -65.5208 -65.5208 -37.5899 -37.5899 -36.5860 -36.5860 -36.5412 -36.5412 -7.3682 -7.3682 -7.2079 -7.2079 0.8264 0.8264 1.2271 1.2271 2.3339 2.3339 2.6424 2.6424 3.1681 3.1681 3.3051 3.3051 5.7047 5.7047 6.0353 6.0353 6.1415 6.1415 6.4932 6.4932 7.1101 7.1101 9.6213 9.6213 k = 0.7043-0.5621 0.0414 ( 3926 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5860 -36.5860 -36.5413 -36.5413 -7.3487 -7.3487 -7.1965 -7.1965 0.7822 0.7822 1.2057 1.2057 2.3306 2.3306 2.6109 2.6109 3.1540 3.1540 3.2795 3.2795 5.7025 5.7025 6.0430 6.0430 6.1345 6.1345 6.4959 6.4959 7.1321 7.1321 9.5840 9.5840 k = 0.7105-0.5835 0.0414 ( 3924 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5861 -36.5861 -36.5414 -36.5414 -7.3302 -7.3302 -7.1856 -7.1856 0.7418 0.7418 1.1865 1.1865 2.3253 2.3253 2.5798 2.5798 3.1389 3.1389 3.2543 3.2543 5.7013 5.7013 6.0497 6.0497 6.1289 6.1289 6.4991 6.4991 7.1523 7.1523 9.5517 9.5517 k = 0.7167-0.6049 0.0414 ( 3920 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5861 -36.5861 -36.5414 -36.5414 -7.3128 -7.3128 -7.1753 -7.1753 0.7057 0.7057 1.1696 1.1696 2.3177 2.3177 2.5493 2.5493 3.1225 3.1225 3.2299 3.2299 5.7011 5.7011 6.0552 6.0552 6.1249 6.1249 6.5029 6.5029 7.1702 7.1702 9.5242 9.5242 k = 0.7229-0.6263 0.0414 ( 3920 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5861 -36.5861 -36.5415 -36.5415 -7.2965 -7.2965 -7.1658 -7.1658 0.6739 0.6739 1.1551 1.1551 2.3073 2.3073 2.5195 2.5195 3.1046 3.1046 3.2065 3.2065 5.7019 5.7019 6.0591 6.0591 6.1228 6.1228 6.5070 6.5070 7.1855 7.1855 9.5018 9.5018 k = 0.7291-0.6477 0.0414 ( 3920 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5415 -36.5415 -7.2814 -7.2814 -7.1569 -7.1569 0.6469 0.6469 1.1430 1.1430 2.2939 2.2939 2.4905 2.4905 3.0853 3.0853 3.1842 3.1842 5.7039 5.7039 6.0618 6.0618 6.1228 6.1228 6.5114 6.5114 7.1977 7.1977 9.4844 9.4844 k = 0.7353-0.6691 0.0414 ( 3920 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.2677 -7.2677 -7.1488 -7.1488 0.6249 0.6249 1.1336 1.1336 2.2774 2.2774 2.4625 2.4625 3.0645 3.0645 3.1632 3.1632 5.7070 5.7070 6.0634 6.0634 6.1244 6.1244 6.5161 6.5161 7.2066 7.2066 9.4719 9.4719 k = 0.7415-0.6905 0.0414 ( 3922 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.2553 -7.2553 -7.1415 -7.1415 0.6078 0.6078 1.1267 1.1267 2.2578 2.2578 2.4354 2.4354 3.0425 3.0425 3.1432 3.1432 5.7112 5.7112 6.0646 6.0646 6.1270 6.1270 6.5211 6.5211 7.2119 7.2119 9.4645 9.4645 k = 0.7477-0.7119 0.0414 ( 3920 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.2443 -7.2443 -7.1350 -7.1350 0.5960 0.5960 1.1223 1.1223 2.2351 2.2351 2.4093 2.4093 3.0197 3.0197 3.1240 3.1240 5.7165 5.7165 6.0659 6.0659 6.1304 6.1304 6.5262 6.5262 7.2134 7.2134 9.4620 9.4620 k = 0.7538-0.7334 0.0414 ( 3918 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5417 -36.5417 -7.2348 -7.2348 -7.1293 -7.1293 0.5895 0.5895 1.1205 1.1205 2.2095 2.2095 2.3842 2.3842 2.9964 2.9964 3.1053 3.1053 5.7228 5.7228 6.0676 6.0676 6.1340 6.1340 6.5316 6.5316 7.2111 7.2111 9.4646 9.4646 k = 0.7600-0.7548 0.0414 ( 3920 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5417 -36.5417 -7.2268 -7.2268 -7.1244 -7.1244 0.5883 0.5883 1.1211 1.1211 2.1814 2.1814 2.3600 2.3600 2.9731 2.9731 3.0868 3.0868 5.7302 5.7302 6.0697 6.0697 6.1376 6.1376 6.5370 6.5370 7.2049 7.2049 9.4720 9.4720 k = 0.7662-0.7762 0.0414 ( 3928 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5862 -36.5862 -36.5417 -36.5417 -7.2203 -7.2203 -7.1205 -7.1205 0.5924 0.5924 1.1241 1.1241 2.1511 2.1511 2.3367 2.3367 2.9500 2.9500 3.0682 3.0682 5.7387 5.7387 6.0724 6.0724 6.1411 6.1411 6.5426 6.5426 7.1949 7.1949 9.4845 9.4845 k = 0.7724-0.7976 0.0414 ( 3926 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5862 -36.5862 -36.5417 -36.5417 -7.2154 -7.2154 -7.1173 -7.1173 0.6019 0.6019 1.1292 1.1292 2.1188 2.1188 2.3144 2.3144 2.9275 2.9275 3.0493 3.0493 5.7482 5.7482 6.0756 6.0756 6.1444 6.1444 6.5483 6.5483 7.1814 7.1814 9.5018 9.5018 k = 0.7786-0.8190 0.0414 ( 3918 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5862 -36.5862 -36.5416 -36.5416 -7.2119 -7.2119 -7.1150 -7.1150 0.6166 0.6166 1.1363 1.1363 2.0851 2.0851 2.2932 2.2932 2.9058 2.9058 3.0300 3.0300 5.7586 5.7586 6.0791 6.0791 6.1476 6.1476 6.5541 6.5541 7.1645 7.1645 9.5240 9.5240 k = 0.7848-0.8404 0.0414 ( 3920 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5862 -36.5862 -36.5416 -36.5416 -7.2100 -7.2100 -7.1136 -7.1136 0.6364 0.6364 1.1451 1.1451 2.0502 2.0502 2.2731 2.2731 2.8851 2.8851 3.0103 3.0103 5.7699 5.7699 6.0826 6.0826 6.1505 6.1505 6.5599 6.5599 7.1447 7.1447 9.5511 9.5511 k = 0.7910-0.8618 0.0414 ( 3922 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5862 -36.5862 -36.5416 -36.5416 -7.2095 -7.2095 -7.1130 -7.1130 0.6612 0.6612 1.1554 1.1554 2.0147 2.0147 2.2544 2.2544 2.8655 2.8655 2.9901 2.9901 5.7820 5.7820 6.0860 6.0860 6.1532 6.1532 6.5659 6.5659 7.1222 7.1222 9.5830 9.5830 k = 0.7972-0.8833 0.0414 ( 3928 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5862 -36.5862 -36.5416 -36.5416 -7.2105 -7.2105 -7.1131 -7.1131 0.6908 0.6908 1.1666 1.1666 1.9789 1.9789 2.2372 2.2372 2.8470 2.8470 2.9696 2.9696 5.7948 5.7948 6.0891 6.0891 6.1557 6.1557 6.5720 6.5720 7.0976 7.0976 9.6196 9.6196 k = 0.2028-0.7014 0.9403 ( 3928 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5862 -36.5862 -36.5416 -36.5416 -7.2105 -7.2105 -7.1131 -7.1131 0.6908 0.6908 1.1666 1.1666 1.9789 1.9789 2.2372 2.2372 2.8470 2.8470 2.9696 2.9696 5.7948 5.7948 6.0891 6.0891 6.1557 6.1557 6.5720 6.5720 7.0976 7.0976 9.6196 9.6196 k = 0.1967-0.6802 0.9403 ( 3932 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5862 -36.5862 -36.5415 -36.5415 -7.2127 -7.2127 -7.1140 -7.1140 0.7246 0.7246 1.1783 1.1783 1.9437 1.9437 2.2220 2.2220 2.8298 2.8298 2.9491 2.9491 5.8082 5.8082 6.0917 6.0917 6.1580 6.1580 6.5781 6.5781 7.0716 7.0716 9.6605 9.6605 k = 0.1905-0.6589 0.9403 ( 3934 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5862 -36.5862 -36.5415 -36.5415 -7.2163 -7.2163 -7.1157 -7.1157 0.7625 0.7625 1.1900 1.1900 1.9093 1.9093 2.2088 2.2088 2.8136 2.8136 2.9288 2.9288 5.8220 5.8220 6.0937 6.0937 6.1599 6.1599 6.5842 6.5842 7.0444 7.0444 9.7058 9.7058 k = 0.1844-0.6377 0.9403 ( 3932 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5862 -36.5862 -36.5414 -36.5414 -7.2211 -7.2211 -7.1180 -7.1180 0.8041 0.8041 1.2013 1.2013 1.8764 1.8764 2.1980 2.1980 2.7982 2.7982 2.9091 2.9091 5.8361 5.8361 6.0951 6.0951 6.1615 6.1615 6.5905 6.5905 7.0166 7.0166 9.7553 9.7553 k = 0.1782-0.6164 0.9403 ( 3934 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5863 -36.5863 -36.5413 -36.5413 -7.2270 -7.2270 -7.1210 -7.1210 0.8487 0.8487 1.2115 1.2115 1.8456 1.8456 2.1899 2.1899 2.7834 2.7834 2.8903 2.8903 5.8504 5.8504 6.0957 6.0957 6.1625 6.1625 6.5968 6.5968 6.9886 6.9886 9.8088 9.8088 k = 0.1721-0.5951 0.9403 ( 3934 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5863 -36.5863 -36.5412 -36.5412 -7.2339 -7.2339 -7.1245 -7.1245 0.8957 0.8957 1.2200 1.2200 1.8177 1.8177 2.1848 2.1848 2.7688 2.7688 2.8732 2.8732 5.8647 5.8647 6.0957 6.0957 6.1630 6.1630 6.6032 6.6032 6.9610 6.9610 9.8660 9.8660 k = 0.1659-0.5739 0.9403 ( 3936 PWs) bands (ev): -65.5209 -65.5209 -37.5900 -37.5900 -36.5863 -36.5863 -36.5412 -36.5412 -7.2418 -7.2418 -7.1286 -7.1286 0.9440 0.9440 1.2263 1.2263 1.7937 1.7937 2.1829 2.1829 2.7541 2.7541 2.8584 2.8584 5.8788 5.8788 6.0949 6.0949 6.1628 6.1628 6.6096 6.6096 6.9343 6.9343 9.9265 9.9265 k = 0.1598-0.5526 0.9403 ( 3940 PWs) bands (ev): -65.5209 -65.5209 -37.5900 -37.5900 -36.5863 -36.5863 -36.5411 -36.5411 -7.2505 -7.2505 -7.1333 -7.1333 0.9923 0.9923 1.2301 1.2301 1.7747 1.7747 2.1846 2.1846 2.7388 2.7388 2.8464 2.8464 5.8925 5.8925 6.0933 6.0933 6.1620 6.1620 6.6160 6.6160 6.9089 6.9089 9.9898 9.9898 k = 0.1536-0.5314 0.9403 ( 3940 PWs) bands (ev): -65.5209 -65.5209 -37.5900 -37.5900 -36.5863 -36.5863 -36.5410 -36.5410 -7.2599 -7.2599 -7.1383 -7.1383 1.0387 1.0387 1.2316 1.2316 1.7618 1.7618 2.1899 2.1899 2.7231 2.7231 2.8375 2.8375 5.9055 5.9055 6.0910 6.0910 6.1606 6.1606 6.6223 6.6223 6.8853 6.8853 10.0554 10.0554 k = 0.1475-0.5101 0.9403 ( 3936 PWs) bands (ev): -65.5209 -65.5209 -37.5900 -37.5900 -36.5863 -36.5863 -36.5409 -36.5409 -7.2700 -7.2700 -7.1437 -7.1437 1.0803 1.0803 1.2319 1.2319 1.7562 1.7562 2.1988 2.1988 2.7072 2.7072 2.8319 2.8319 5.9176 5.9176 6.0881 6.0881 6.1585 6.1585 6.6285 6.6285 6.8640 6.8640 10.1226 10.1226 k = 0.1414-0.4889 0.9403 ( 3936 PWs) bands (ev): -65.5209 -65.5209 -37.5899 -37.5899 -36.5863 -36.5863 -36.5408 -36.5408 -7.2807 -7.2807 -7.1495 -7.1495 1.1125 1.1125 1.2338 1.2338 1.7592 1.7592 2.2113 2.2113 2.6916 2.6916 2.8295 2.8295 5.9282 5.9282 6.0846 6.0846 6.1560 6.1560 6.6345 6.6345 6.8454 6.8454 10.1903 10.1903 k = 0.1352-0.4676 0.9403 ( 3938 PWs) bands (ev): -65.5209 -65.5209 -37.5899 -37.5899 -36.5863 -36.5863 -36.5407 -36.5407 -7.2918 -7.2918 -7.1555 -7.1555 1.1299 1.1299 1.2412 1.2412 1.7715 1.7715 2.2273 2.2273 2.6769 2.6769 2.8302 2.8302 5.9368 5.9368 6.0808 6.0808 6.1532 6.1532 6.6404 6.6404 6.8299 6.8299 10.2577 10.2577 k = 0.1291-0.4464 0.9403 ( 3938 PWs) bands (ev): -65.5209 -65.5209 -37.5899 -37.5899 -36.5863 -36.5863 -36.5406 -36.5406 -7.3032 -7.3032 -7.1618 -7.1618 1.1311 1.1311 1.2547 1.2547 1.7935 1.7935 2.2464 2.2464 2.6637 2.6637 2.8338 2.8338 5.9427 5.9427 6.0772 6.0772 6.1500 6.1500 6.6459 6.6459 6.8179 6.8179 10.3233 10.3233 k = 0.1229-0.4251 0.9403 ( 3936 PWs) bands (ev): -65.5209 -65.5209 -37.5898 -37.5898 -36.5863 -36.5863 -36.5405 -36.5405 -7.3148 -7.3148 -7.1682 -7.1682 1.1208 1.1208 1.2695 1.2695 1.8244 1.8244 2.2685 2.2685 2.6527 2.6527 2.8404 2.8404 5.9452 5.9452 6.0743 6.0743 6.1469 6.1469 6.6512 6.6512 6.8097 6.8097 10.3854 10.3854 k = 0.1168-0.4038 0.9403 ( 3942 PWs) bands (ev): -65.5209 -65.5209 -37.5898 -37.5898 -36.5864 -36.5864 -36.5404 -36.5404 -7.3265 -7.3265 -7.1747 -7.1747 1.1041 1.1041 1.2813 1.2813 1.8621 1.8621 2.2934 2.2934 2.6445 2.6445 2.8499 2.8499 5.9433 5.9433 6.0727 6.0727 6.1437 6.1437 6.6562 6.6562 6.8056 6.8056 10.4423 10.4423 k = 0.1106-0.3826 0.9403 ( 3942 PWs) bands (ev): -65.5209 -65.5209 -37.5898 -37.5898 -36.5864 -36.5864 -36.5403 -36.5403 -7.3383 -7.3383 -7.1812 -7.1812 1.0839 1.0839 1.2890 1.2890 1.9039 1.9039 2.3213 2.3213 2.6396 2.6396 2.8627 2.8627 5.9366 5.9366 6.0726 6.0726 6.1407 6.1407 6.6608 6.6608 6.8058 6.8058 10.4918 10.4918 k = 0.1045-0.3613 0.9403 ( 3942 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5864 -36.5864 -36.5402 -36.5402 -7.3500 -7.3500 -7.1878 -7.1878 1.0618 1.0618 1.2926 1.2926 1.9464 1.9464 2.3524 2.3524 2.6385 2.6385 2.8789 2.8789 5.9252 5.9252 6.0740 6.0740 6.1381 6.1381 6.6652 6.6652 6.8102 6.8102 10.5313 10.5313 k = 0.0983-0.3401 0.9403 ( 3936 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5864 -36.5864 -36.5401 -36.5401 -7.3615 -7.3615 -7.1942 -7.1942 1.0387 1.0387 1.2928 1.2928 1.9862 1.9862 2.3871 2.3871 2.6412 2.6412 2.8992 2.8992 5.9093 5.9093 6.0762 6.0762 6.1361 6.1361 6.6694 6.6694 6.8190 6.8190 10.5588 10.5588 k = 0.0922-0.3188 0.9403 ( 3932 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5864 -36.5864 -36.5400 -36.5400 -7.3728 -7.3728 -7.2006 -7.2006 1.0153 1.0153 1.2905 1.2905 2.0206 2.0206 2.4254 2.4254 2.6478 2.6478 2.9242 2.9242 5.8895 5.8895 6.0785 6.0785 6.1349 6.1349 6.6734 6.6734 6.8321 6.8321 10.5722 10.5722 k = 0.0860-0.2976 0.9403 ( 3930 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5864 -36.5864 -36.5399 -36.5399 -7.3837 -7.3837 -7.2068 -7.2068 0.9921 0.9921 1.2863 1.2863 2.0481 2.0481 2.4666 2.4666 2.6579 2.6579 2.9545 2.9545 5.8662 5.8662 6.0802 6.0802 6.1348 6.1348 6.6772 6.6772 6.8494 6.8494 10.5704 10.5704 k = 0.0799-0.2763 0.9403 ( 3928 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5864 -36.5864 -36.5398 -36.5398 -7.3943 -7.3943 -7.2127 -7.2127 0.9696 0.9696 1.2808 1.2808 2.0683 2.0683 2.5088 2.5088 2.6711 2.6711 2.9909 2.9909 5.8400 5.8400 6.0810 6.0810 6.1359 6.1359 6.6808 6.6808 6.8706 6.8706 10.5535 10.5535 k = 0.0737-0.2551 0.9403 ( 3924 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5864 -36.5864 -36.5397 -36.5397 -7.4043 -7.4043 -7.2185 -7.2185 0.9479 0.9479 1.2746 1.2746 2.0819 2.0819 2.5496 2.5496 2.6870 2.6870 3.0338 3.0338 5.8113 5.8113 6.0809 6.0809 6.1381 6.1381 6.6841 6.6841 6.8955 6.8955 10.5229 10.5229 k = 0.0676-0.2338 0.9403 ( 3926 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5864 -36.5864 -36.5396 -36.5396 -7.4138 -7.4138 -7.2239 -7.2239 0.9274 0.9274 1.2679 1.2679 2.0902 2.0902 2.5867 2.5867 2.7051 2.7051 3.0834 3.0834 5.7804 5.7804 6.0798 6.0798 6.1411 6.1411 6.6871 6.6871 6.9236 6.9236 10.4811 10.4811 k = 0.0615-0.2126 0.9403 ( 3932 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5864 -36.5864 -36.5395 -36.5395 -7.4227 -7.4227 -7.2290 -7.2290 0.9082 0.9082 1.2611 1.2611 2.0945 2.0945 2.6186 2.6186 2.7250 2.7250 3.1389 3.1389 5.7477 5.7477 6.0782 6.0782 6.1446 6.1446 6.6898 6.6898 6.9544 6.9544 10.4312 10.4312 k = 0.0553-0.1913 0.9403 ( 3940 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5864 -36.5864 -36.5395 -36.5395 -7.4309 -7.4309 -7.2337 -7.2337 0.8905 0.8905 1.2544 1.2544 2.0959 2.0959 2.6448 2.6448 2.7457 2.7457 3.1989 3.1989 5.7138 5.7138 6.0762 6.0762 6.1482 6.1482 6.6921 6.6921 6.9873 6.9873 10.3765 10.3765 k = 0.0492-0.1700 0.9403 ( 3938 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5394 -36.5394 -7.4384 -7.4384 -7.2380 -7.2380 0.8743 0.8743 1.2479 1.2479 2.0954 2.0954 2.6658 2.6658 2.7662 2.7662 3.2615 3.2615 5.6793 5.6793 6.0742 6.0742 6.1518 6.1518 6.6942 6.6942 7.0215 7.0215 10.3201 10.3201 k = 0.0430-0.1488 0.9403 ( 3930 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5393 -36.5393 -7.4452 -7.4452 -7.2418 -7.2418 0.8598 0.8598 1.2420 1.2420 2.0936 2.0936 2.6827 2.6827 2.7856 2.7856 3.3244 3.3244 5.6449 5.6449 6.0723 6.0723 6.1552 6.1552 6.6960 6.6960 7.0558 7.0558 10.2647 10.2647 k = 0.0369-0.1275 0.9403 ( 3928 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5392 -36.5392 -7.4511 -7.4511 -7.2452 -7.2452 0.8472 0.8472 1.2366 1.2366 2.0912 2.0912 2.6963 2.6963 2.8029 2.8029 3.3853 3.3853 5.6115 5.6115 6.0704 6.0704 6.1583 6.1583 6.6975 6.6975 7.0894 7.0894 10.2128 10.2128 k = 0.0307-0.1063 0.9403 ( 3930 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5392 -36.5392 -7.4561 -7.4561 -7.2482 -7.2482 0.8363 0.8363 1.2319 1.2319 2.0886 2.0886 2.7072 2.7072 2.8179 2.8179 3.4420 3.4420 5.5802 5.5802 6.0688 6.0688 6.1610 6.1610 6.6988 6.6988 7.1208 7.1208 10.1661 10.1661 k = 0.0246-0.0850 0.9403 ( 3936 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5392 -36.5392 -7.4603 -7.4603 -7.2506 -7.2506 0.8274 0.8274 1.2280 1.2280 2.0861 2.0861 2.7157 2.7157 2.8303 2.8303 3.4921 3.4921 5.5521 5.5521 6.0674 6.0674 6.1632 6.1632 6.6997 6.6997 7.1489 7.1489 10.1262 10.1262 k = 0.0184-0.0638 0.9403 ( 3938 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5392 -36.5392 -7.4636 -7.4636 -7.2525 -7.2525 0.8204 0.8204 1.2248 1.2248 2.0840 2.0840 2.7222 2.7222 2.8399 2.8399 3.5337 3.5337 5.5285 5.5285 6.0663 6.0663 6.1650 6.1650 6.7005 6.7005 7.1724 7.1724 10.0942 10.0942 k = 0.0123-0.0425 0.9403 ( 3938 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4659 -7.4659 -7.2538 -7.2538 0.8154 0.8154 1.2226 1.2226 2.0823 2.0823 2.7268 2.7268 2.8469 2.8469 3.5649 3.5649 5.5105 5.5105 6.0655 6.0655 6.1663 6.1663 6.7010 6.7010 7.1901 7.1901 10.0708 10.0708 k = 0.0061-0.0213 0.9403 ( 3944 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5865 -36.5865 -36.5391 -36.5391 -7.4673 -7.4673 -7.2546 -7.2546 0.8123 0.8123 1.2212 1.2212 2.0813 2.0813 2.7295 2.7295 2.8510 2.8510 3.5842 3.5842 5.4993 5.4993 6.0650 6.0650 6.1671 6.1671 6.7013 6.7013 7.2011 7.2011 10.0566 10.0566 k = 0.0000 0.0000 0.9403 ( 3946 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5865 -36.5865 -36.5391 -36.5391 -7.4678 -7.4678 -7.2549 -7.2549 0.8113 0.8113 1.2207 1.2207 2.0809 2.0809 2.7304 2.7304 2.8524 2.8524 3.5908 3.5908 5.4955 5.4955 6.0649 6.0649 6.1673 6.1673 6.7013 6.7013 7.2049 7.2049 10.0518 10.0518 k = 0.0000 0.0000 0.9403 ( 3946 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5865 -36.5865 -36.5391 -36.5391 -7.4678 -7.4678 -7.2549 -7.2549 0.8113 0.8113 1.2207 1.2207 2.0809 2.0809 2.7304 2.7304 2.8524 2.8524 3.5908 3.5908 5.4955 5.4955 6.0649 6.0649 6.1673 6.1673 6.7013 6.7013 7.2049 7.2049 10.0518 10.0518 k = 0.0216 0.0062 0.9403 ( 3936 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4676 -7.4676 -7.2551 -7.2551 0.8086 0.8086 1.2198 1.2198 2.0843 2.0843 2.7317 2.7317 2.8540 2.8540 3.5905 3.5905 5.4951 5.4951 6.0649 6.0649 6.1674 6.1674 6.7019 6.7019 7.2059 7.2059 10.0389 10.0389 k = 0.0431 0.0125 0.9403 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4670 -7.4670 -7.2557 -7.2557 0.8004 0.8004 1.2170 1.2170 2.0941 2.0941 2.7355 2.7355 2.8588 2.8588 3.5896 3.5896 5.4937 5.4937 6.0649 6.0649 6.1675 6.1675 6.7036 6.7036 7.2088 7.2088 10.0035 10.0035 k = 0.0647 0.0187 0.9403 ( 3934 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4661 -7.4661 -7.2566 -7.2566 0.7873 0.7873 1.2121 1.2121 2.1102 2.1102 2.7417 2.7417 2.8667 2.8667 3.5882 3.5882 5.4915 5.4915 6.0650 6.0650 6.1676 6.1676 6.7064 6.7064 7.2136 7.2136 9.9515 9.9515 k = 0.0863 0.0249 0.9403 ( 3931 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5864 -36.5864 -36.5391 -36.5391 -7.4647 -7.4647 -7.2579 -7.2579 0.7700 0.7700 1.2051 1.2051 2.1321 2.1321 2.7497 2.7497 2.8778 2.8778 3.5865 3.5865 5.4883 5.4883 6.0651 6.0651 6.1678 6.1678 6.7103 6.7103 7.2203 7.2203 9.8884 9.8884 k = 0.1078 0.0312 0.9403 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4630 -7.4630 -7.2595 -7.2595 0.7495 0.7495 1.1958 1.1958 2.1594 2.1594 2.7592 2.7592 2.8920 2.8920 3.5844 3.5844 5.4843 5.4843 6.0652 6.0652 6.1681 6.1681 6.7153 6.7153 7.2286 7.2286 9.8179 9.8179 k = 0.1294 0.0374 0.9403 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4609 -7.4609 -7.2615 -7.2615 0.7265 0.7265 1.1843 1.1843 2.1912 2.1912 2.7699 2.7699 2.9088 2.9088 3.5821 3.5821 5.4795 5.4795 6.0653 6.0653 6.1684 6.1684 6.7214 6.7214 7.2385 7.2385 9.7424 9.7424 k = 0.1509 0.0436 0.9403 ( 3938 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4585 -7.4585 -7.2638 -7.2638 0.7019 0.7019 1.1708 1.1708 2.2269 2.2269 2.7815 2.7815 2.9278 2.9278 3.5799 3.5799 5.4739 5.4739 6.0654 6.0654 6.1687 6.1687 6.7286 6.7286 7.2499 7.2499 9.6637 9.6637 k = 0.1725 0.0499 0.9403 ( 3937 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4558 -7.4558 -7.2664 -7.2664 0.6765 0.6765 1.1556 1.1556 2.2655 2.2655 2.7940 2.7940 2.9484 2.9484 3.5779 3.5779 5.4676 5.4676 6.0655 6.0655 6.1690 6.1690 6.7369 6.7369 7.2624 7.2624 9.5835 9.5835 k = 0.1941 0.0561 0.9403 ( 3939 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4528 -7.4528 -7.2693 -7.2693 0.6508 0.6508 1.1390 1.1390 2.3061 2.3061 2.8073 2.8073 2.9699 2.9699 3.5764 3.5764 5.4607 5.4607 6.0657 6.0657 6.1694 6.1694 6.7462 6.7462 7.2760 7.2760 9.5029 9.5029 k = 0.2156 0.0623 0.9403 ( 3942 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5865 -36.5865 -36.5391 -36.5391 -7.4495 -7.4495 -7.2725 -7.2725 0.6253 0.6253 1.1215 1.1215 2.3478 2.3478 2.8214 2.8214 2.9916 2.9916 3.5754 3.5754 5.4532 5.4532 6.0658 6.0658 6.1697 6.1697 6.7564 6.7564 7.2904 7.2904 9.4232 9.4232 k = 0.2372 0.0686 0.9403 ( 3937 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5865 -36.5865 -36.5391 -36.5391 -7.4460 -7.4460 -7.2759 -7.2759 0.6007 0.6007 1.1034 1.1034 2.3897 2.3897 2.8364 2.8364 3.0129 3.0129 3.5752 3.5752 5.4452 5.4452 6.0659 6.0659 6.1700 6.1700 6.7676 6.7676 7.3053 7.3053 9.3456 9.3456 k = 0.2588 0.0748 0.9403 ( 3935 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4423 -7.4423 -7.2795 -7.2795 0.5772 0.5772 1.0852 1.0852 2.4308 2.4308 2.8521 2.8521 3.0333 3.0333 3.5758 3.5758 5.4370 5.4370 6.0660 6.0660 6.1703 6.1703 6.7795 6.7795 7.3205 7.3205 9.2712 9.2712 k = 0.2803 0.0811 0.9403 ( 3937 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4384 -7.4384 -7.2833 -7.2833 0.5552 0.5552 1.0672 1.0672 2.4702 2.4702 2.8684 2.8684 3.0524 3.0524 3.5773 3.5773 5.4286 5.4286 6.0662 6.0662 6.1705 6.1705 6.7920 6.7920 7.3358 7.3358 9.2009 9.2009 k = 0.3019 0.0873 0.9403 ( 3937 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4345 -7.4345 -7.2872 -7.2872 0.5348 0.5348 1.0497 1.0497 2.5074 2.5074 2.8849 2.8849 3.0701 3.0701 3.5795 3.5795 5.4202 5.4202 6.0662 6.0662 6.1707 6.1707 6.8049 6.8049 7.3508 7.3508 9.1357 9.1357 k = 0.3234 0.0935 0.9403 ( 3937 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4305 -7.4305 -7.2911 -7.2911 0.5165 0.5165 1.0331 1.0331 2.5416 2.5416 2.9013 2.9013 3.0864 3.0864 3.5823 3.5823 5.4120 5.4120 6.0663 6.0663 6.1708 6.1708 6.8180 6.8180 7.3652 7.3652 9.0764 9.0764 k = 0.3450 0.0998 0.9403 ( 3937 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4266 -7.4266 -7.2951 -7.2951 0.5002 0.5002 1.0176 1.0176 2.5723 2.5723 2.9169 2.9169 3.1015 3.1015 3.5853 3.5853 5.4042 5.4042 6.0664 6.0664 6.1709 6.1709 6.8310 6.8310 7.3788 7.3788 9.0238 9.0238 k = 0.3666 0.1060 0.9403 ( 3937 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4229 -7.4229 -7.2989 -7.2989 0.4862 0.4862 1.0035 1.0035 2.5993 2.5993 2.9310 2.9310 3.1156 3.1156 3.5884 3.5884 5.3971 5.3971 6.0664 6.0664 6.1709 6.1709 6.8436 6.8436 7.3914 7.3914 8.9785 8.9785 k = 0.3881 0.1122 0.9403 ( 3934 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4194 -7.4194 -7.3024 -7.3024 0.4745 0.4745 0.9909 0.9909 2.6224 2.6224 2.9429 2.9429 3.1290 3.1290 3.5911 3.5911 5.3908 5.3908 6.0665 6.0665 6.1709 6.1709 6.8555 6.8555 7.4026 7.4026 8.9410 8.9410 k = 0.4097 0.1185 0.9403 ( 3928 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5864 -36.5864 -36.5391 -36.5391 -7.4163 -7.4163 -7.3057 -7.3057 0.4653 0.4653 0.9800 0.9800 2.6415 2.6415 2.9521 2.9521 3.1416 3.1416 3.5932 3.5932 5.3856 5.3856 6.0665 6.0665 6.1708 6.1708 6.8664 6.8664 7.4123 7.4123 8.9116 8.9116 k = 0.4313 0.1247 0.9403 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4137 -7.4137 -7.3084 -7.3084 0.4586 0.4586 0.9710 0.9710 2.6566 2.6566 2.9583 2.9583 3.1530 3.1530 3.5945 3.5945 5.3816 5.3816 6.0664 6.0664 6.1706 6.1706 6.8760 6.8760 7.4201 7.4201 8.8904 8.8904 k = 0.5000 0.1446-0.8989 ( 3932 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4070 -7.4070 -7.3123 -7.3123 0.4473 0.4473 0.9503 0.9503 2.6787 2.6787 2.9587 2.9587 3.1761 3.1761 3.5916 3.5916 5.3774 5.3774 6.0669 6.0669 6.1699 6.1699 6.8986 6.8986 7.4317 7.4317 8.8707 8.8707 k = 0.5062 0.1232-0.8989 ( 3934 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5391 -36.5391 -7.4066 -7.4066 -7.3119 -7.3119 0.4484 0.4484 0.9511 0.9511 2.6770 2.6770 2.9557 2.9557 3.1756 3.1756 3.5876 3.5876 5.3812 5.3812 6.0667 6.0667 6.1695 6.1695 6.8979 6.8979 7.4277 7.4277 8.8754 8.8754 k = 0.5124 0.1019-0.8989 ( 3932 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5392 -36.5392 -7.4054 -7.4054 -7.3109 -7.3109 0.4515 0.4515 0.9536 0.9536 2.6719 2.6719 2.9469 2.9469 3.1739 3.1739 3.5763 3.5763 5.3924 5.3924 6.0662 6.0662 6.1684 6.1684 6.8959 6.8959 7.4159 7.4159 8.8894 8.8894 k = 0.5185 0.0805-0.8989 ( 3936 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5392 -36.5392 -7.4033 -7.4033 -7.3091 -7.3091 0.4568 0.4568 0.9577 0.9577 2.6633 2.6633 2.9324 2.9324 3.1704 3.1704 3.5591 3.5591 5.4102 5.4102 6.0655 6.0655 6.1666 6.1666 6.8923 6.8923 7.3971 7.3971 8.9126 8.9126 k = 0.5247 0.0591-0.8989 ( 3936 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5392 -36.5392 -7.4006 -7.4006 -7.3067 -7.3067 0.4640 0.4640 0.9634 0.9634 2.6509 2.6509 2.9122 2.9122 3.1643 3.1643 3.5381 3.5381 5.4337 5.4337 6.0645 6.0645 6.1640 6.1640 6.8875 6.8875 7.3723 7.3723 8.9445 8.9445 k = 0.5309 0.0378-0.8989 ( 3940 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5393 -36.5393 -7.3970 -7.3970 -7.3035 -7.3035 0.4734 0.4734 0.9707 0.9707 2.6346 2.6346 2.8859 2.8859 3.1552 3.1552 3.5158 3.5158 5.4618 5.4618 6.0633 6.0633 6.1607 6.1607 6.8812 6.8812 7.3427 7.3427 8.9845 8.9845 k = 0.5371 0.0164-0.8989 ( 3942 PWs) bands (ev): -65.5210 -65.5210 -37.5894 -37.5894 -36.5864 -36.5864 -36.5393 -36.5393 -7.3927 -7.3927 -7.2997 -7.2997 0.4847 0.4847 0.9796 0.9796 2.6142 2.6142 2.8530 2.8530 3.1433 3.1433 3.4943 3.4943 5.4932 5.4932 6.0618 6.0618 6.1567 6.1567 6.8737 6.8737 7.3099 7.3099 9.0319 9.0319 k = 0.5432-0.0049-0.8989 ( 3940 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5394 -36.5394 -7.3877 -7.3877 -7.2953 -7.2953 0.4980 0.4980 0.9900 0.9900 2.5891 2.5891 2.8130 2.8130 3.1297 3.1297 3.4751 3.4751 5.5268 5.5268 6.0603 6.0603 6.1520 6.1520 6.8649 6.8649 7.2753 7.2753 9.0859 9.0859 k = 0.5494-0.0263-0.8989 ( 3934 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5864 -36.5864 -36.5394 -36.5394 -7.3821 -7.3821 -7.2902 -7.2902 0.5133 0.5133 1.0018 1.0018 2.5591 2.5591 2.7660 2.7660 3.1158 3.1158 3.4585 3.4585 5.5617 5.5617 6.0587 6.0587 6.1466 6.1466 6.8549 6.8549 7.2400 7.2400 9.1454 9.1454 k = 0.5556-0.0477-0.8989 ( 3934 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5864 -36.5864 -36.5395 -36.5395 -7.3758 -7.3758 -7.2846 -7.2846 0.5304 0.5304 1.0151 1.0151 2.5234 2.5234 2.7131 2.7131 3.1031 3.1031 3.4443 3.4443 5.5970 5.5970 6.0570 6.0570 6.1407 6.1407 6.8437 6.8437 7.2052 7.2052 9.2093 9.2093 k = 0.5618-0.0690-0.8989 ( 3926 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5864 -36.5864 -36.5395 -36.5395 -7.3690 -7.3690 -7.2783 -7.2783 0.5492 0.5492 1.0296 1.0296 2.4808 2.4808 2.6567 2.6567 3.0923 3.0923 3.4317 3.4317 5.6321 5.6321 6.0554 6.0554 6.1342 6.1342 6.8315 6.8315 7.1719 7.1719 9.2764 9.2764 k = 0.5679-0.0904-0.8989 ( 3922 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5864 -36.5864 -36.5396 -36.5396 -7.3617 -7.3617 -7.2716 -7.2716 0.5698 0.5698 1.0452 1.0452 2.4301 2.4301 2.5999 2.5999 3.0837 3.0837 3.4200 3.4200 5.6664 5.6664 6.0537 6.0537 6.1272 6.1272 6.8182 6.8182 7.1410 7.1410 9.3455 9.3455 k = 0.5741-0.1117-0.8989 ( 3920 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5864 -36.5864 -36.5396 -36.5396 -7.3539 -7.3539 -7.2643 -7.2643 0.5920 0.5920 1.0619 1.0619 2.3703 2.3703 2.5454 2.5454 3.0773 3.0773 3.4086 3.4086 5.6996 5.6996 6.0519 6.0519 6.1200 6.1200 6.8038 6.8038 7.1132 7.1132 9.4153 9.4153 k = 0.5803-0.1331-0.8989 ( 3928 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5864 -36.5864 -36.5398 -36.5398 -7.3457 -7.3457 -7.2565 -7.2565 0.6156 0.6156 1.0794 1.0794 2.3024 2.3024 2.4946 2.4946 3.0727 3.0727 3.3968 3.3968 5.7313 5.7313 6.0500 6.0500 6.1127 6.1127 6.7885 6.7885 7.0889 7.0889 9.4845 9.4845 k = 0.5865-0.1545-0.8989 ( 3932 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5864 -36.5864 -36.5399 -36.5399 -7.3372 -7.3372 -7.2484 -7.2484 0.6405 0.6405 1.0975 1.0975 2.2286 2.2286 2.4469 2.4469 3.0696 3.0696 3.3845 3.3845 5.7613 5.7613 6.0478 6.0478 6.1056 6.1056 6.7723 6.7723 7.0687 7.0687 9.5519 9.5519 k = 0.5926-0.1758-0.8989 ( 3936 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5864 -36.5864 -36.5400 -36.5400 -7.3285 -7.3285 -7.2398 -7.2398 0.6666 0.6666 1.1158 1.1158 2.1518 2.1518 2.4016 2.4016 3.0675 3.0675 3.3714 3.3714 5.7894 5.7894 6.0452 6.0452 6.0992 6.0992 6.7552 6.7552 7.0528 7.0528 9.6162 9.6162 k = 0.5988-0.1972-0.8989 ( 3938 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5864 -36.5864 -36.5401 -36.5401 -7.3196 -7.3196 -7.2309 -7.2309 0.6936 0.6936 1.1339 1.1339 2.0745 2.0745 2.3578 2.3578 3.0662 3.0662 3.3576 3.3576 5.8152 5.8152 6.0418 6.0418 6.0938 6.0938 6.7372 6.7372 7.0416 7.0416 9.6763 9.6763 k = 0.6050-0.2186-0.8989 ( 3942 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5864 -36.5864 -36.5402 -36.5402 -7.3107 -7.3107 -7.2217 -7.2217 0.7213 0.7213 1.1511 1.1511 1.9989 1.9989 2.3151 2.3151 3.0652 3.0652 3.3430 3.3430 5.8385 5.8385 6.0376 6.0376 6.0899 6.0899 6.7183 6.7183 7.0350 7.0350 9.7307 9.7307 k = 0.6112-0.2399-0.8989 ( 3934 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5864 -36.5864 -36.5403 -36.5403 -7.3018 -7.3018 -7.2123 -7.2123 0.7492 0.7492 1.1666 1.1666 1.9272 1.9272 2.2733 2.2733 3.0644 3.0644 3.3278 3.3278 5.8589 5.8589 6.0329 6.0329 6.0878 6.0878 6.6988 6.6988 7.0331 7.0331 9.7784 9.7784 k = 0.6173-0.2613-0.8989 ( 3936 PWs) bands (ev): -65.5209 -65.5209 -37.5898 -37.5898 -36.5864 -36.5864 -36.5404 -36.5404 -7.2930 -7.2930 -7.2027 -7.2027 0.7768 0.7768 1.1795 1.1795 1.8616 1.8616 2.2326 2.2326 3.0634 3.0634 3.3122 3.3122 5.8756 5.8756 6.0285 6.0285 6.0872 6.0872 6.6786 6.6786 7.0359 7.0359 9.8180 9.8180 k = 0.6235-0.2826-0.8989 ( 3940 PWs) bands (ev): -65.5209 -65.5209 -37.5898 -37.5898 -36.5864 -36.5864 -36.5405 -36.5405 -7.2845 -7.2845 -7.1930 -7.1930 0.8036 0.8036 1.1885 1.1885 1.8043 1.8043 2.1931 2.1931 3.0622 3.0622 3.2962 3.2962 5.8880 5.8880 6.0251 6.0251 6.0881 6.0881 6.6579 6.6579 7.0430 7.0430 9.8482 9.8482 k = 0.6297-0.3040-0.8989 ( 3938 PWs) bands (ev): -65.5209 -65.5209 -37.5899 -37.5899 -36.5863 -36.5863 -36.5406 -36.5406 -7.2763 -7.2763 -7.1832 -7.1832 0.8286 0.8286 1.1926 1.1926 1.7577 1.7577 2.1550 2.1550 3.0605 3.0605 3.2801 3.2801 5.8955 5.8955 6.0239 6.0239 6.0901 6.0901 6.6370 6.6370 7.0542 7.0542 9.8682 9.8682 k = 0.6359-0.3254-0.8989 ( 3934 PWs) bands (ev): -65.5209 -65.5209 -37.5899 -37.5899 -36.5863 -36.5863 -36.5407 -36.5407 -7.2685 -7.2685 -7.1734 -7.1734 0.8504 0.8504 1.1913 1.1913 1.7235 1.7235 2.1188 2.1188 3.0582 3.0582 3.2639 3.2639 5.8978 5.8978 6.0253 6.0253 6.0931 6.0931 6.6160 6.6160 7.0693 7.0693 9.8772 9.8772 k = 0.6421-0.3467-0.8989 ( 3924 PWs) bands (ev): -65.5209 -65.5209 -37.5899 -37.5899 -36.5863 -36.5863 -36.5408 -36.5408 -7.2612 -7.2612 -7.1636 -7.1636 0.8672 0.8672 1.1857 1.1857 1.7026 1.7026 2.0849 2.0849 3.0552 3.0552 3.2480 3.2480 5.8955 5.8955 6.0290 6.0290 6.0969 6.0969 6.5952 6.5952 7.0880 7.0880 9.8757 9.8757 k = 0.6482-0.3681-0.8989 ( 3924 PWs) bands (ev): -65.5209 -65.5209 -37.5899 -37.5899 -36.5863 -36.5863 -36.5409 -36.5409 -7.2546 -7.2546 -7.1539 -7.1539 0.8767 0.8767 1.1785 1.1785 1.6943 1.6943 2.0539 2.0539 3.0515 3.0515 3.2323 3.2323 5.8897 5.8897 6.0342 6.0342 6.1013 6.1013 6.5747 6.5747 7.1097 7.1097 9.8647 9.8647 k = 0.6544-0.3894-0.8989 ( 3926 PWs) bands (ev): -65.5209 -65.5209 -37.5900 -37.5900 -36.5863 -36.5863 -36.5410 -36.5410 -7.2486 -7.2486 -7.1444 -7.1444 0.8768 0.8768 1.1735 1.1735 1.6964 1.6964 2.0264 2.0264 3.0472 3.0472 3.2169 3.2169 5.8816 5.8816 6.0399 6.0399 6.1061 6.1061 6.5547 6.5547 7.1341 7.1341 9.8459 9.8459 k = 0.6606-0.4108-0.8989 ( 3924 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5863 -36.5863 -36.5411 -36.5411 -7.2436 -7.2436 -7.1351 -7.1351 0.8665 0.8665 1.1737 1.1737 1.7065 1.7065 2.0035 2.0035 3.0421 3.0421 3.2021 3.2021 5.8720 5.8720 6.0456 6.0456 6.1110 6.1110 6.5354 6.5354 7.1609 7.1609 9.8216 9.8216 k = 0.6668-0.4322-0.8989 ( 3928 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5863 -36.5863 -36.5412 -36.5412 -7.2395 -7.2395 -7.1261 -7.1261 0.8471 0.8471 1.1794 1.1794 1.7216 1.7216 1.9862 1.9862 3.0362 3.0362 3.1879 3.1879 5.8618 5.8618 6.0509 6.0509 6.1158 6.1158 6.5170 6.5170 7.1896 7.1896 9.7935 9.7935 k = 0.3332-1.1525-0.0000 ( 3928 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5863 -36.5863 -36.5412 -36.5412 -7.2395 -7.2395 -7.1261 -7.1261 0.8471 0.8471 1.1794 1.1794 1.7216 1.7216 1.9862 1.9862 3.0362 3.0362 3.1879 3.1879 5.8618 5.8618 6.0509 6.0509 6.1158 6.1158 6.5170 6.5170 7.1896 7.1896 9.7935 9.7935 k = 0.3271-1.1312-0.0000 ( 3930 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5863 -36.5863 -36.5412 -36.5412 -7.2364 -7.2364 -7.1174 -7.1174 0.8215 0.8215 1.1892 1.1892 1.7393 1.7393 1.9759 1.9759 3.0297 3.0297 3.1745 3.1745 5.8514 5.8514 6.0556 6.0556 6.1203 6.1203 6.4997 6.4997 7.2197 7.2197 9.7637 9.7637 k = 0.3209-1.1098-0.0000 ( 3932 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5862 -36.5862 -36.5413 -36.5413 -7.2344 -7.2344 -7.1092 -7.1092 0.7928 0.7928 1.2012 1.2012 1.7571 1.7571 1.9739 1.9739 3.0223 3.0223 3.1622 3.1622 5.8412 5.8412 6.0597 6.0597 6.1244 6.1244 6.4835 6.4835 7.2509 7.2509 9.7333 9.7333 k = 0.3147-1.0885-0.0000 ( 3942 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5862 -36.5862 -36.5414 -36.5414 -7.2336 -7.2336 -7.1013 -7.1013 0.7633 0.7633 1.2135 1.2135 1.7733 1.7733 1.9814 1.9814 3.0141 3.0141 3.1514 3.1514 5.8313 5.8313 6.0631 6.0631 6.1279 6.1279 6.4685 6.4685 7.2827 7.2827 9.7036 9.7036 k = 0.3086-1.0671-0.0000 ( 3940 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5862 -36.5862 -36.5415 -36.5415 -7.2341 -7.2341 -7.0940 -7.0940 0.7350 0.7350 1.2247 1.2247 1.7872 1.7872 1.9984 1.9984 3.0049 3.0049 3.1425 3.1425 5.8219 5.8219 6.0657 6.0657 6.1310 6.1310 6.4548 6.4548 7.3147 7.3147 9.6753 9.6753 k = 0.3024-1.0458-0.0000 ( 3940 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5862 -36.5862 -36.5415 -36.5415 -7.2359 -7.2359 -7.0873 -7.0873 0.7092 0.7092 1.2342 1.2342 1.7992 1.7992 2.0237 2.0237 2.9948 2.9948 3.1357 3.1357 5.8132 5.8132 6.0677 6.0677 6.1337 6.1337 6.4423 6.4423 7.3464 7.3464 9.6490 9.6490 k = 0.2962-1.0245-0.0000 ( 3938 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5862 -36.5862 -36.5416 -36.5416 -7.2392 -7.2392 -7.0811 -7.0811 0.6867 0.6867 1.2415 1.2415 1.8102 1.8102 2.0557 2.0557 2.9837 2.9837 3.1314 3.1314 5.8052 5.8052 6.0688 6.0688 6.1362 6.1362 6.4310 6.4310 7.3774 7.3774 9.6251 9.6251 k = 0.2900-1.0031-0.0000 ( 3940 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5862 -36.5862 -36.5416 -36.5416 -7.2438 -7.2438 -7.0756 -7.0756 0.6682 0.6682 1.2467 1.2467 1.8211 1.8211 2.0927 2.0927 2.9721 2.9721 3.1298 3.1298 5.7979 5.7979 6.0692 6.0692 6.1387 6.1387 6.4207 6.4207 7.4074 7.4074 9.6040 9.6040 k = 0.2839-0.9818-0.0000 ( 3938 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5862 -36.5862 -36.5417 -36.5417 -7.2500 -7.2500 -7.0708 -7.0708 0.6542 0.6542 1.2501 1.2501 1.8319 1.8319 2.1333 2.1333 2.9602 2.9602 3.1310 3.1310 5.7912 5.7912 6.0690 6.0690 6.1413 6.1413 6.4113 6.4113 7.4358 7.4358 9.5860 9.5860 k = 0.2777-0.9604-0.0000 ( 3940 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5862 -36.5862 -36.5417 -36.5417 -7.2577 -7.2577 -7.0666 -7.0666 0.6450 0.6450 1.2520 1.2520 1.8424 1.8424 2.1766 2.1766 2.9487 2.9487 3.1351 3.1351 5.7851 5.7851 6.0685 6.0685 6.1441 6.1441 6.4027 6.4027 7.4623 7.4623 9.5711 9.5711 k = 0.2715-0.9391-0.0000 ( 3934 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5862 -36.5862 -36.5417 -36.5417 -7.2668 -7.2668 -7.0633 -7.0633 0.6408 0.6408 1.2528 1.2528 1.8523 1.8523 2.2219 2.2219 2.9379 2.9379 3.1419 3.1419 5.7795 5.7795 6.0678 6.0678 6.1470 6.1470 6.3946 6.3946 7.4865 7.4865 9.5595 9.5595 k = 0.2654-0.9177-0.0000 ( 3938 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5862 -36.5862 -36.5417 -36.5417 -7.2775 -7.2775 -7.0606 -7.0606 0.6419 0.6419 1.2531 1.2531 1.8610 1.8610 2.2687 2.2687 2.9286 2.9286 3.1514 3.1514 5.7744 5.7744 6.0672 6.0672 6.1501 6.1501 6.3868 6.3868 7.5081 7.5081 9.5514 9.5514 k = 0.2592-0.8964-0.0000 ( 3942 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5862 -36.5862 -36.5417 -36.5417 -7.2897 -7.2897 -7.0588 -7.0588 0.6483 0.6483 1.2531 1.2531 1.8678 1.8678 2.3167 2.3167 2.9212 2.9212 3.1636 3.1636 5.7697 5.7697 6.0671 6.0671 6.1532 6.1532 6.3793 6.3793 7.5267 7.5267 9.5468 9.5468 k = 0.2530-0.8751-0.0000 ( 3940 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5861 -36.5861 -36.5417 -36.5417 -7.3033 -7.3033 -7.0578 -7.0578 0.6600 0.6600 1.2532 1.2532 1.8725 1.8725 2.3656 2.3656 2.9160 2.9160 3.1785 3.1785 5.7654 5.7654 6.0675 6.0675 6.1564 6.1564 6.3719 6.3719 7.5421 7.5421 9.5458 9.5458 k = 0.2468-0.8537-0.0000 ( 3932 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5417 -36.5417 -7.3184 -7.3184 -7.0576 -7.0576 0.6770 0.6770 1.2535 1.2535 1.8747 1.8747 2.4150 2.4150 2.9133 2.9133 3.1961 3.1961 5.7615 5.7615 6.0687 6.0687 6.1594 6.1594 6.3645 6.3645 7.5540 7.5540 9.5484 9.5484 k = 0.2407-0.8324-0.0000 ( 3930 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.3348 -7.3348 -7.0581 -7.0581 0.6993 0.6993 1.2539 1.2539 1.8747 1.8747 2.4649 2.4649 2.9132 2.9132 3.2163 3.2163 5.7580 5.7580 6.0707 6.0707 6.1622 6.1622 6.3570 6.3570 7.5624 7.5624 9.5548 9.5548 k = 0.2345-0.8110-0.0000 ( 3928 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.3526 -7.3526 -7.0595 -7.0595 0.7268 0.7268 1.2546 1.2546 1.8726 1.8726 2.5150 2.5150 2.9156 2.9156 3.2391 3.2391 5.7551 5.7551 6.0734 6.0734 6.1648 6.1648 6.3495 6.3495 7.5669 7.5669 9.5649 9.5649 k = 0.2283-0.7897-0.0000 ( 3930 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5415 -36.5415 -7.3716 -7.3716 -7.0617 -7.0617 0.7592 0.7592 1.2553 1.2553 1.8689 1.8689 2.5652 2.5652 2.9204 2.9204 3.2644 3.2644 5.7528 5.7528 6.0768 6.0768 6.1669 6.1669 6.3418 6.3418 7.5676 7.5676 9.5788 9.5788 k = 0.2222-0.7683-0.0000 ( 3930 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5415 -36.5415 -7.3918 -7.3918 -7.0646 -7.0646 0.7962 0.7962 1.2559 1.2559 1.8645 1.8645 2.6153 2.6153 2.9273 2.9273 3.2923 3.2923 5.7512 5.7512 6.0806 6.0806 6.1687 6.1687 6.3341 6.3341 7.5645 7.5645 9.5966 9.5966 k = 0.2160-0.7470-0.0000 ( 3920 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5861 -36.5861 -36.5414 -36.5414 -7.4131 -7.4131 -7.0683 -7.0683 0.8374 0.8374 1.2562 1.2562 1.8603 1.8603 2.6651 2.6651 2.9360 2.9360 3.3226 3.3226 5.7503 5.7503 6.0847 6.0847 6.1701 6.1701 6.3265 6.3265 7.5576 7.5576 9.6183 9.6183 k = 0.2098-0.7257-0.0000 ( 3924 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5860 -36.5860 -36.5413 -36.5413 -7.4353 -7.4353 -7.0727 -7.0727 0.8821 0.8821 1.2563 1.2563 1.8571 1.8571 2.7146 2.7146 2.9462 2.9462 3.3553 3.3553 5.7502 5.7502 6.0886 6.0886 6.1710 6.1710 6.3191 6.3191 7.5470 7.5470 9.6440 9.6440 k = 0.2036-0.7043-0.0000 ( 3928 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5860 -36.5860 -36.5413 -36.5413 -7.4584 -7.4584 -7.0778 -7.0778 0.9290 0.9290 1.2567 1.2567 1.8562 1.8562 2.7633 2.7633 2.9577 2.9577 3.3903 3.3903 5.7510 5.7510 6.0922 6.0922 6.1715 6.1715 6.3121 6.3121 7.5329 7.5329 9.6736 9.6736 k = 0.1975-0.6830-0.0000 ( 3934 PWs) bands (ev): -65.5208 -65.5208 -37.5899 -37.5899 -36.5860 -36.5860 -36.5412 -36.5412 -7.4823 -7.4823 -7.0836 -7.0836 0.9758 0.9758 1.2590 1.2590 1.8583 1.8583 2.8109 2.8109 2.9705 2.9705 3.4274 3.4274 5.7525 5.7525 6.0948 6.0948 6.1715 6.1715 6.3059 6.3059 7.5156 7.5156 9.7073 9.7073 k = 0.1913-0.6616-0.0000 ( 3928 PWs) bands (ev): -65.5208 -65.5208 -37.5899 -37.5899 -36.5860 -36.5860 -36.5411 -36.5411 -7.5068 -7.5068 -7.0899 -7.0899 1.0186 1.0186 1.2666 1.2666 1.8642 1.8642 2.8563 2.8563 2.9853 2.9853 3.4666 3.4666 5.7549 5.7549 6.0961 6.0961 6.1712 6.1712 6.3008 6.3008 7.4954 7.4954 9.7449 9.7449 k = 0.1851-0.6403-0.0000 ( 3932 PWs) bands (ev): -65.5209 -65.5209 -37.5899 -37.5899 -36.5860 -36.5860 -36.5410 -36.5410 -7.5319 -7.5319 -7.0969 -7.0969 1.0509 1.0509 1.2855 1.2855 1.8746 1.8746 2.8976 2.8976 3.0037 3.0037 3.5076 3.5076 5.7580 5.7580 6.0958 6.0958 6.1701 6.1701 6.2972 6.2972 7.4725 7.4725 9.7865 9.7865 k = 0.1790-0.6189-0.0000 ( 3926 PWs) bands (ev): -65.5209 -65.5209 -37.5898 -37.5898 -36.5860 -36.5860 -36.5409 -36.5409 -7.5574 -7.5574 -7.1043 -7.1043 1.0669 1.0669 1.3213 1.3213 1.8896 1.8896 2.9318 2.9318 3.0285 3.0285 3.5503 3.5503 5.7617 5.7617 6.0935 6.0935 6.1680 6.1680 6.2958 6.2958 7.4473 7.4473 9.8319 9.8319 k = 0.1728-0.5976-0.0000 ( 3916 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5860 -36.5860 -36.5408 -36.5408 -7.5832 -7.5832 -7.1122 -7.1122 1.0668 1.0668 1.3739 1.3739 1.9094 1.9094 2.9563 2.9563 3.0620 3.0620 3.5945 3.5945 5.7658 5.7658 6.0892 6.0892 6.1647 6.1647 6.2968 6.2968 7.4204 7.4204 9.8809 9.8809 k = 0.1666-0.5763-0.0000 ( 3918 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5860 -36.5860 -36.5407 -36.5407 -7.6093 -7.6093 -7.1205 -7.1205 1.0548 1.0548 1.4389 1.4389 1.9339 1.9339 2.9727 2.9727 3.1028 3.1028 3.6400 3.6400 5.7703 5.7703 6.0829 6.0829 6.1596 6.1596 6.3006 6.3006 7.3920 7.3920 9.9331 9.9331 k = 0.1605-0.5549-0.0000 ( 3920 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5860 -36.5860 -36.5406 -36.5406 -7.6354 -7.6354 -7.1291 -7.1291 1.0351 1.0351 1.5120 1.5120 1.9630 1.9630 2.9837 2.9837 3.1479 3.1479 3.6866 3.6866 5.7749 5.7749 6.0747 6.0747 6.1528 6.1528 6.3070 6.3070 7.3627 7.3627 9.9878 9.9878 k = 0.1543-0.5336-0.0000 ( 3910 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5859 -36.5859 -36.5404 -36.5404 -7.6615 -7.6615 -7.1381 -7.1381 1.0105 1.0105 1.5904 1.5904 1.9966 1.9966 2.9915 2.9915 3.1953 3.1953 3.7341 3.7341 5.7795 5.7795 6.0650 6.0650 6.1444 6.1444 6.3158 6.3158 7.3330 7.3330 10.0437 10.0437 k = 0.1481-0.5122-0.0000 ( 3906 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5859 -36.5859 -36.5403 -36.5403 -7.6875 -7.6875 -7.1472 -7.1472 0.9826 0.9826 1.6722 1.6722 2.0346 2.0346 2.9970 2.9970 3.2440 3.2440 3.7821 3.7821 5.7839 5.7839 6.0538 6.0538 6.1344 6.1344 6.3267 6.3267 7.3033 7.3033 10.0978 10.0978 k = 0.1419-0.4909-0.0000 ( 3902 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5859 -36.5859 -36.5402 -36.5402 -7.7132 -7.7132 -7.1566 -7.1566 0.9527 0.9527 1.7556 1.7556 2.0771 2.0771 3.0009 3.0009 3.2936 3.2936 3.8306 3.8306 5.7880 5.7880 6.0414 6.0414 6.1231 6.1231 6.3392 6.3392 7.2743 7.2743 10.1417 10.1417 k = 0.1358-0.4695-0.0000 ( 3903 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5859 -36.5859 -36.5400 -36.5400 -7.7387 -7.7387 -7.1661 -7.1661 0.9215 0.9215 1.8390 1.8390 2.1248 2.1248 3.0035 3.0035 3.3438 3.3438 3.8792 3.8792 5.7915 5.7915 6.0280 6.0280 6.1107 6.1107 6.3529 6.3529 7.2464 7.2464 10.1459 10.1459 k = 0.1296-0.4482-0.0000 ( 3901 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5859 -36.5859 -36.5399 -36.5399 -7.7636 -7.7636 -7.1756 -7.1756 0.8896 0.8896 1.9204 1.9204 2.1783 2.1783 3.0052 3.0052 3.3946 3.3946 3.9276 3.9276 5.7943 5.7943 6.0137 6.0137 6.0972 6.0972 6.3676 6.3676 7.2202 7.2202 10.1088 10.1088 k = 0.1234-0.4269-0.0000 ( 3899 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5859 -36.5859 -36.5398 -36.5398 -7.7881 -7.7881 -7.1851 -7.1851 0.8574 0.8574 1.9977 1.9977 2.2387 2.2387 3.0061 3.0061 3.4459 3.4459 3.9756 3.9756 5.7963 5.7963 5.9988 5.9988 6.0830 6.0830 6.3828 6.3828 7.1962 7.1962 10.0618 10.0618 k = 0.1173-0.4055-0.0000 ( 3899 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5859 -36.5859 -36.5397 -36.5397 -7.8119 -7.8119 -7.1946 -7.1946 0.8254 0.8254 2.0691 2.0691 2.3066 2.3066 3.0067 3.0067 3.4976 3.4976 4.0230 4.0230 5.7974 5.7974 5.9833 5.9833 6.0680 6.0680 6.3984 6.3984 7.1750 7.1750 10.0125 10.0125 k = 0.1111-0.3842-0.0000 ( 3899 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5859 -36.5859 -36.5395 -36.5395 -7.8350 -7.8350 -7.2039 -7.2039 0.7939 0.7939 2.1338 2.1338 2.3817 2.3817 3.0072 3.0072 3.5499 3.5499 4.0694 4.0694 5.7974 5.7974 5.9675 5.9675 6.0524 6.0524 6.4142 6.4142 7.1571 7.1571 9.9622 9.9622 k = 0.1049-0.3628-0.0000 ( 3899 PWs) bands (ev): -65.5209 -65.5209 -37.5892 -37.5892 -36.5859 -36.5859 -36.5394 -36.5394 -7.8573 -7.8573 -7.2131 -7.2131 0.7630 0.7630 2.1923 2.1923 2.4623 2.4623 3.0079 3.0079 3.6029 3.6029 4.1145 4.1145 5.7960 5.7960 5.9516 5.9516 6.0363 6.0363 6.4298 6.4298 7.1430 7.1430 9.9115 9.9115 k = 0.0987-0.3415-0.0000 ( 3905 PWs) bands (ev): -65.5209 -65.5209 -37.5892 -37.5892 -36.5859 -36.5859 -36.5393 -36.5393 -7.8788 -7.8788 -7.2221 -7.2221 0.7331 0.7331 2.2457 2.2457 2.5459 2.5459 3.0092 3.0092 3.6568 3.6568 4.1581 4.1581 5.7932 5.7932 5.9358 5.9358 6.0199 6.0199 6.4450 6.4450 7.1329 7.1329 9.8607 9.8607 k = 0.0926-0.3201-0.0000 ( 3903 PWs) bands (ev): -65.5209 -65.5209 -37.5891 -37.5891 -36.5859 -36.5859 -36.5392 -36.5392 -7.8993 -7.8993 -7.2307 -7.2307 0.7043 0.7043 2.2948 2.2948 2.6301 2.6301 3.0115 3.0115 3.7117 3.7117 4.1999 4.1999 5.7887 5.7887 5.9203 5.9203 6.0033 6.0033 6.4597 6.4597 7.1275 7.1275 9.8095 9.8095 k = 0.0864-0.2988-0.0000 ( 3899 PWs) bands (ev): -65.5209 -65.5209 -37.5891 -37.5891 -36.5859 -36.5859 -36.5391 -36.5391 -7.9188 -7.9188 -7.2391 -7.2391 0.6768 0.6768 2.3403 2.3403 2.7124 2.7124 3.0156 3.0156 3.7680 3.7680 4.2397 4.2397 5.7822 5.7822 5.9053 5.9053 5.9868 5.9868 6.4738 6.4738 7.1267 7.1267 9.7569 9.7569 k = 0.0802-0.2775-0.0000 ( 3897 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5859 -36.5859 -36.5390 -36.5390 -7.9372 -7.9372 -7.2471 -7.2471 0.6507 0.6507 2.3825 2.3825 2.7904 2.7904 3.0223 3.0223 3.8258 3.8258 4.2772 4.2772 5.7734 5.7734 5.8910 5.8910 5.9707 5.9707 6.4871 6.4871 7.1308 7.1308 9.6816 9.6816 k = 0.0741-0.2561-0.0000 ( 3893 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5859 -36.5859 -36.5389 -36.5389 -7.9545 -7.9545 -7.2547 -7.2547 0.6261 0.6261 2.4214 2.4214 2.8610 2.8610 3.0334 3.0334 3.8855 3.8855 4.3122 4.3122 5.7622 5.7622 5.8776 5.8776 5.9551 5.9551 6.4996 6.4996 7.1398 7.1398 9.5872 9.5872 k = 0.0679-0.2348-0.0000 ( 3895 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5859 -36.5859 -36.5388 -36.5388 -7.9706 -7.9706 -7.2618 -7.2618 0.6032 0.6032 2.4569 2.4569 2.9202 2.9202 3.0519 3.0519 3.9472 3.9472 4.3446 4.3446 5.7484 5.7484 5.8649 5.8649 5.9405 5.9405 6.5110 6.5110 7.1533 7.1533 9.4928 9.4928 k = 0.0617-0.2134-0.0000 ( 3895 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5859 -36.5859 -36.5387 -36.5387 -7.9855 -7.9855 -7.2684 -7.2684 0.5820 0.5820 2.4890 2.4890 2.9636 2.9636 3.0812 3.0812 4.0107 4.0107 4.3743 4.3743 5.7321 5.7321 5.8527 5.8527 5.9272 5.9272 6.5216 6.5216 7.1710 7.1710 9.4007 9.4007 k = 0.0555-0.1921-0.0000 ( 3897 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5386 -36.5386 -7.9990 -7.9990 -7.2745 -7.2745 0.5627 0.5627 2.5174 2.5174 2.9925 2.9925 3.1193 3.1193 4.0758 4.0758 4.4011 4.4011 5.7136 5.7136 5.8410 5.8410 5.9155 5.9155 6.5311 6.5311 7.1925 7.1925 9.3122 9.3122 k = 0.0494-0.1707-0.0000 ( 3887 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5385 -36.5385 -8.0113 -8.0113 -7.2801 -7.2801 0.5452 0.5452 2.5421 2.5421 3.0131 3.0131 3.1593 3.1593 4.1416 4.1416 4.4252 4.4252 5.6932 5.6932 5.8296 5.8296 5.9056 5.9056 6.5397 6.5397 7.2167 7.2167 9.2287 9.2287 k = 0.0432-0.1494-0.0000 ( 3887 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5384 -36.5384 -8.0222 -8.0222 -7.2850 -7.2850 0.5296 0.5296 2.5631 2.5631 3.0303 3.0303 3.1963 3.1963 4.2071 4.2071 4.4463 4.4463 5.6712 5.6712 5.8185 5.8185 5.8974 5.8974 6.5472 6.5472 7.2429 7.2429 9.1513 9.1513 k = 0.0370-0.1281-0.0000 ( 3887 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5384 -36.5384 -8.0317 -8.0317 -7.2894 -7.2894 0.5160 0.5160 2.5805 2.5805 3.0458 3.0458 3.2278 3.2278 4.2706 4.2706 4.4647 4.4647 5.6484 5.6484 5.8081 5.8081 5.8908 5.8908 6.5537 6.5537 7.2697 7.2697 9.0814 9.0814 k = 0.0309-0.1067-0.0000 ( 3885 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0398 -8.0398 -7.2931 -7.2931 0.5044 0.5044 2.5945 2.5945 3.0603 3.0603 3.2535 3.2535 4.3303 4.3303 4.4804 4.4804 5.6256 5.6256 5.7987 5.7987 5.8856 5.8856 6.5592 6.5592 7.2959 7.2959 9.0200 9.0200 k = 0.0247-0.0854-0.0000 ( 3885 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0465 -8.0465 -7.2962 -7.2962 0.4949 0.4949 2.6055 2.6055 3.0733 3.0733 3.2733 3.2733 4.3839 4.3839 4.4935 4.4935 5.6038 5.6038 5.7904 5.7904 5.8817 5.8817 6.5637 6.5637 7.3200 7.3200 8.9681 8.9681 k = 0.0185-0.0640-0.0000 ( 3887 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0517 -8.0517 -7.2986 -7.2986 0.4875 0.4875 2.6136 2.6136 3.0844 3.0844 3.2879 3.2879 4.4286 4.4286 4.5042 4.5042 5.5844 5.5844 5.7838 5.7838 5.8787 5.8787 6.5672 6.5672 7.3407 7.3407 8.9268 8.9268 k = 0.0123-0.0427-0.0000 ( 3885 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0554 -8.0554 -7.3003 -7.3003 0.4822 0.4822 2.6193 2.6193 3.0930 3.0930 3.2977 3.2977 4.4619 4.4619 4.5129 4.5129 5.5690 5.5690 5.7789 5.7789 5.8767 5.8767 6.5696 6.5696 7.3566 7.3566 8.8967 8.8967 k = 0.0062-0.0213-0.0000 ( 3885 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0576 -8.0576 -7.3013 -7.3013 0.4790 0.4790 2.6226 2.6226 3.0984 3.0984 3.3033 3.3033 4.4815 4.4815 4.5194 4.5194 5.5590 5.5590 5.7759 5.7759 5.8756 5.8756 6.5711 6.5711 7.3666 7.3666 8.8784 8.8784 k = 0.0000 0.0000 0.0000 ( 3883 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0584 -8.0584 -7.3017 -7.3017 0.4779 0.4779 2.6236 2.6236 3.1002 3.1002 3.3052 3.3052 4.4877 4.4877 4.5222 4.5222 5.5555 5.5555 5.7748 5.7748 5.8752 5.8752 6.5716 6.5716 7.3701 7.3701 8.8722 8.8722 k = 0.0000 0.0000 0.0000 ( 3883 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0584 -8.0584 -7.3017 -7.3017 0.4779 0.4779 2.6236 2.6236 3.1002 3.1002 3.3052 3.3052 4.4877 4.4877 4.5222 4.5222 5.5555 5.5555 5.7748 5.7748 5.8752 5.8752 6.5716 6.5716 7.3701 7.3701 8.8722 8.8722 k = 0.0106-0.0169-0.0096 ( 3883 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0577 -8.0577 -7.3014 -7.3014 0.4791 0.4791 2.6225 2.6225 3.0983 3.0983 3.3036 3.3036 4.4822 4.4822 4.5193 4.5193 5.5583 5.5583 5.7758 5.7758 5.8760 5.8760 6.5709 6.5709 7.3674 7.3674 8.8782 8.8782 k = 0.0213-0.0337-0.0191 ( 3885 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0555 -8.0555 -7.3007 -7.3007 0.4825 0.4825 2.6191 2.6191 3.0925 3.0925 3.2986 3.2986 4.4650 4.4650 4.5116 4.5116 5.5664 5.5664 5.7784 5.7784 5.8785 5.8785 6.5685 6.5685 7.3593 7.3593 8.8959 8.8959 k = 0.0319-0.0506-0.0287 ( 3890 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0520 -8.0520 -7.2994 -7.2994 0.4881 0.4881 2.6133 2.6133 3.0832 3.0832 3.2901 3.2901 4.4358 4.4358 4.5008 4.5008 5.5793 5.5793 5.7822 5.7822 5.8829 5.8829 6.5647 6.5647 7.3464 7.3464 8.9252 8.9252 k = 0.0426-0.0674-0.0383 ( 3883 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0471 -8.0471 -7.2976 -7.2976 0.4960 0.4960 2.6050 2.6050 3.0707 3.0707 3.2779 3.2779 4.3958 4.3958 4.4871 4.4871 5.5961 5.5961 5.7865 5.7865 5.8896 5.8896 6.5596 6.5596 7.3292 7.3292 8.9657 8.9657 k = 0.0532-0.0843-0.0478 ( 3886 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0407 -8.0407 -7.2954 -7.2954 0.5061 0.5061 2.5942 2.5942 3.0554 3.0554 3.2615 3.2615 4.3469 4.3469 4.4706 4.4706 5.6160 5.6160 5.7906 5.7906 5.8989 5.8989 6.5531 6.5531 7.3085 7.3085 9.0166 9.0166 k = 0.0638-0.1011-0.0574 ( 3888 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0330 -8.0330 -7.2927 -7.2927 0.5185 0.5185 2.5805 2.5805 3.0377 3.0377 3.2408 3.2408 4.2910 4.2910 4.4514 4.4514 5.6380 5.6380 5.7940 5.7940 5.9108 5.9108 6.5454 6.5454 7.2851 7.2851 9.0774 9.0774 k = 0.0745-0.1180-0.0669 ( 3891 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5384 -36.5384 -8.0240 -8.0240 -7.2895 -7.2895 0.5329 0.5329 2.5640 2.5640 3.0178 3.0178 3.2156 3.2156 4.2301 4.2301 4.4295 4.4295 5.6614 5.6614 5.7966 5.7966 5.9250 5.9250 6.5368 6.5368 7.2599 7.2599 9.1470 9.1470 k = 0.0851-0.1349-0.0765 ( 3890 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5384 -36.5384 -8.0136 -8.0136 -7.2858 -7.2858 0.5495 0.5495 2.5445 2.5445 2.9958 2.9958 3.1862 3.1862 4.1658 4.1658 4.4051 4.4051 5.6852 5.6852 5.7987 5.7987 5.9411 5.9411 6.5275 6.5275 7.2337 7.2337 9.2245 9.2245 k = 0.0957-0.1517-0.0861 ( 3891 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5385 -36.5385 -8.0019 -8.0019 -7.2817 -7.2817 0.5682 0.5682 2.5218 2.5218 2.9713 2.9713 3.1529 3.1529 4.0995 4.0995 4.3783 4.3783 5.7085 5.7085 5.8011 5.8011 5.9585 5.9585 6.5177 6.5177 7.2073 7.2073 9.3087 9.3087 k = 0.1064-0.1686-0.0956 ( 3894 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5386 -36.5386 -7.9889 -7.9889 -7.2772 -7.2772 0.5889 0.5889 2.4958 2.4958 2.9435 2.9435 3.1172 3.1172 4.0326 4.0326 4.3494 4.3494 5.7293 5.7293 5.8052 5.8052 5.9766 5.9766 6.5078 6.5078 7.1814 7.1814 9.3983 9.3983 k = 0.1170-0.1854-0.1052 ( 3893 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5386 -36.5386 -7.9747 -7.9747 -7.2723 -7.2723 0.6115 0.6115 2.4666 2.4666 2.9105 2.9105 3.0810 3.0810 3.9661 3.9661 4.3183 4.3183 5.7454 5.7454 5.8134 5.8134 5.9950 5.9950 6.4979 6.4979 7.1566 7.1566 9.4920 9.4920 k = 0.1277-0.2023-0.1148 ( 3899 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5859 -36.5859 -36.5387 -36.5387 -7.9593 -7.9593 -7.2670 -7.2670 0.6360 0.6360 2.4342 2.4342 2.8704 2.8704 3.0468 3.0468 3.9007 3.9007 4.2853 4.2853 5.7547 5.7547 5.8276 5.8276 6.0131 6.0131 6.4884 6.4884 7.1333 7.1333 9.5877 9.5877 k = 0.1383-0.2192-0.1243 ( 3902 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5859 -36.5859 -36.5388 -36.5388 -7.9427 -7.9427 -7.2613 -7.2613 0.6622 0.6622 2.3987 2.3987 2.8215 2.8215 3.0168 3.0168 3.8370 3.8370 4.2505 4.2505 5.7579 5.7579 5.8469 5.8469 6.0306 6.0306 6.4796 6.4796 7.1118 7.1118 9.6826 9.6826 k = 0.1489-0.2360-0.1339 ( 3907 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5859 -36.5859 -36.5389 -36.5389 -7.9250 -7.9250 -7.2554 -7.2554 0.6902 0.6902 2.3602 2.3602 2.7638 2.7638 2.9916 2.9916 3.7754 3.7754 4.2140 4.2140 5.7576 5.7576 5.8686 5.8686 6.0473 6.0473 6.4718 6.4718 7.0924 7.0924 9.7694 9.7694 k = 0.1596-0.2529-0.1434 ( 3910 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5859 -36.5859 -36.5390 -36.5390 -7.9062 -7.9062 -7.2491 -7.2491 0.7197 0.7197 2.3187 2.3187 2.6989 2.6989 2.9708 2.9708 3.7159 3.7159 4.1760 4.1760 5.7552 5.7552 5.8913 5.8913 6.0628 6.0628 6.4652 6.4652 7.0754 7.0754 9.8337 9.8337 k = 0.1702-0.2697-0.1530 ( 3913 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5860 -36.5860 -36.5391 -36.5391 -7.8864 -7.8864 -7.2426 -7.2426 0.7506 0.7506 2.2743 2.2743 2.6285 2.6285 2.9533 2.9533 3.6587 3.6587 4.1365 4.1365 5.7515 5.7515 5.9139 5.9139 6.0769 6.0769 6.4602 6.4602 7.0607 7.0607 9.8733 9.8733 k = 0.1809-0.2866-0.1626 ( 3915 PWs) bands (ev): -65.5209 -65.5209 -37.5892 -37.5892 -36.5860 -36.5860 -36.5392 -36.5392 -7.8657 -7.8657 -7.2358 -7.2358 0.7828 0.7828 2.2268 2.2268 2.5547 2.5547 2.9383 2.9383 3.6036 3.6036 4.0959 4.0959 5.7470 5.7470 5.9360 5.9360 6.0894 6.0894 6.4568 6.4568 7.0485 7.0485 9.8968 9.8968 k = 0.1915-0.3034-0.1721 ( 3915 PWs) bands (ev): -65.5209 -65.5209 -37.5892 -37.5892 -36.5860 -36.5860 -36.5393 -36.5393 -7.8441 -7.8441 -7.2288 -7.2288 0.8161 0.8161 2.1761 2.1761 2.4794 2.4794 2.9252 2.9252 3.5506 3.5506 4.0542 4.0542 5.7419 5.7419 5.9572 5.9572 6.1003 6.1003 6.4553 6.4553 7.0387 7.0387 9.9081 9.9081 k = 0.2021-0.3203-0.1817 ( 3916 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5860 -36.5860 -36.5394 -36.5394 -7.8216 -7.8216 -7.2217 -7.2217 0.8502 0.8502 2.1217 2.1217 2.4047 2.4047 2.9133 2.9133 3.4995 3.4995 4.0117 4.0117 5.7363 5.7363 5.9773 5.9773 6.1095 6.1095 6.4556 6.4556 7.0312 7.0312 9.9084 9.9084 k = 0.2128-0.3372-0.1913 ( 3913 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5860 -36.5860 -36.5395 -36.5395 -7.7984 -7.7984 -7.2145 -7.2145 0.8848 0.8848 2.0633 2.0633 2.3322 2.3322 2.9025 2.9025 3.4501 3.4501 3.9686 3.9686 5.7303 5.7303 5.9961 5.9961 6.1172 6.1172 6.4577 6.4577 7.0260 7.0260 9.8993 9.8993 k = 0.2234-0.3540-0.2008 ( 3917 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5860 -36.5860 -36.5397 -36.5397 -7.7745 -7.7745 -7.2072 -7.2072 0.9197 0.9197 2.0003 2.0003 2.2637 2.2637 2.8923 2.8923 3.4024 3.4024 3.9252 3.9252 5.7240 5.7240 6.0133 6.0133 6.1235 6.1235 6.4616 6.4616 7.0228 7.0228 9.8821 9.8821 k = 0.2340-0.3709-0.2104 ( 3920 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5860 -36.5860 -36.5398 -36.5398 -7.7500 -7.7500 -7.1999 -7.1999 0.9544 0.9544 1.9331 1.9331 2.2004 2.2004 2.8826 2.8826 3.3564 3.3564 3.8816 3.8816 5.7174 5.7174 6.0287 6.0287 6.1288 6.1288 6.4671 6.4671 7.0215 7.0215 9.8585 9.8585 k = 0.2447-0.3877-0.2199 ( 3923 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5860 -36.5860 -36.5399 -36.5399 -7.7249 -7.7249 -7.1927 -7.1927 0.9883 0.9883 1.8622 1.8622 2.1427 2.1427 2.8731 2.8731 3.3120 3.3120 3.8381 3.8381 5.7106 5.7106 6.0420 6.0420 6.1334 6.1334 6.4739 6.4739 7.0219 7.0219 9.8302 9.8302 k = 0.2553-0.4046-0.2295 ( 3923 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5860 -36.5860 -36.5400 -36.5400 -7.6995 -7.6995 -7.1854 -7.1854 1.0207 1.0207 1.7891 1.7891 2.0907 2.0907 2.8637 2.8637 3.2692 3.2692 3.7949 3.7949 5.7036 5.7036 6.0528 6.0528 6.1379 6.1379 6.4820 6.4820 7.0240 7.0240 9.7987 9.7987 k = 0.2660-0.4215-0.2391 ( 3921 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5860 -36.5860 -36.5401 -36.5401 -7.6736 -7.6736 -7.1784 -7.1784 1.0507 1.0507 1.7155 1.7155 2.0442 2.0442 2.8541 2.8541 3.2281 3.2281 3.7523 3.7523 5.6964 5.6964 6.0610 6.0610 6.1425 6.1425 6.4909 6.4909 7.0275 7.0275 9.7654 9.7654 k = 0.2766-0.4383-0.2486 ( 3920 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5860 -36.5860 -36.5402 -36.5402 -7.6475 -7.6475 -7.1714 -7.1714 1.0766 1.0766 1.6432 1.6432 2.0032 2.0032 2.8442 2.8442 3.1888 3.1888 3.7105 3.7105 5.6890 5.6890 6.0665 6.0665 6.1475 6.1475 6.5006 6.5006 7.0324 7.0324 9.7315 9.7315 k = 0.2872-0.4552-0.2582 ( 3923 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5860 -36.5860 -36.5403 -36.5403 -7.6212 -7.6212 -7.1648 -7.1648 1.0967 1.0967 1.5748 1.5748 1.9679 1.9679 2.8337 2.8337 3.1514 3.1514 3.6696 3.6696 5.6815 5.6815 6.0696 6.0696 6.1527 6.1527 6.5108 6.5108 7.0385 7.0385 9.6978 9.6978 k = 0.2979-0.4720-0.2678 ( 3922 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5860 -36.5860 -36.5405 -36.5405 -7.5948 -7.5948 -7.1584 -7.1584 1.1081 1.1081 1.5128 1.5128 1.9384 1.9384 2.8223 2.8223 3.1161 3.1161 3.6298 3.6298 5.6740 5.6740 6.0707 6.0707 6.1577 6.1577 6.5213 6.5213 7.0458 7.0458 9.6651 9.6651 k = 0.3085-0.4889-0.2773 ( 3920 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5860 -36.5860 -36.5406 -36.5406 -7.5685 -7.5685 -7.1523 -7.1523 1.1073 1.1073 1.4606 1.4606 1.9156 1.9156 2.8098 2.8098 3.0832 3.0832 3.5913 3.5913 5.6665 5.6665 6.0702 6.0702 6.1621 6.1621 6.5320 6.5320 7.0542 7.0542 9.6340 9.6340 k = 0.3191-0.5057-0.2869 ( 3918 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5860 -36.5860 -36.5406 -36.5406 -7.5423 -7.5423 -7.1467 -7.1467 1.0917 1.0917 1.4204 1.4204 1.9000 1.9000 2.7959 2.7959 3.0529 3.0529 3.5542 3.5542 5.6591 5.6591 6.0688 6.0688 6.1656 6.1656 6.5427 6.5427 7.0636 7.0636 9.6050 9.6050 k = 0.3298-0.5226-0.2964 ( 3914 PWs) bands (ev): -65.5209 -65.5209 -37.5898 -37.5898 -36.5860 -36.5860 -36.5407 -36.5407 -7.5163 -7.5163 -7.1415 -7.1415 1.0613 1.0613 1.3921 1.3921 1.8921 1.8921 2.7803 2.7803 3.0254 3.0254 3.5188 3.5188 5.6517 5.6517 6.0666 6.0666 6.1679 6.1679 6.5534 6.5534 7.0740 7.0740 9.5784 9.5784 k = 0.3404-0.5395-0.3060 ( 3917 PWs) bands (ev): -65.5209 -65.5209 -37.5898 -37.5898 -36.5860 -36.5860 -36.5408 -36.5408 -7.4906 -7.4906 -7.1369 -7.1369 1.0193 1.0193 1.3722 1.3722 1.8922 1.8922 2.7627 2.7627 3.0010 3.0010 3.4850 3.4850 5.6444 5.6444 6.0639 6.0639 6.1687 6.1687 6.5640 6.5640 7.0853 7.0853 9.5544 9.5544 k = 0.3511-0.5563-0.3156 ( 3915 PWs) bands (ev): -65.5208 -65.5208 -37.5898 -37.5898 -36.5860 -36.5860 -36.5409 -36.5409 -7.4654 -7.4654 -7.1328 -7.1328 0.9706 0.9706 1.3565 1.3565 1.9001 1.9001 2.7431 2.7431 2.9796 2.9796 3.4530 3.4530 5.6373 5.6373 6.0610 6.0610 6.1682 6.1682 6.5743 6.5743 7.0974 7.0974 9.5333 9.5333 k = 0.3617-0.5732-0.3251 ( 3912 PWs) bands (ev): -65.5208 -65.5208 -37.5899 -37.5899 -36.5861 -36.5861 -36.5410 -36.5410 -7.4407 -7.4407 -7.1293 -7.1293 0.9190 0.9190 1.3421 1.3421 1.9151 1.9151 2.7216 2.7216 2.9612 2.9612 3.4230 3.4230 5.6304 5.6304 6.0581 6.0581 6.1662 6.1662 6.5843 6.5843 7.1102 7.1102 9.5152 9.5152 k = 0.3723-0.5900-0.3347 ( 3914 PWs) bands (ev): -65.5208 -65.5208 -37.5899 -37.5899 -36.5861 -36.5861 -36.5411 -36.5411 -7.4167 -7.4167 -7.1265 -7.1265 0.8672 0.8672 1.3275 1.3275 1.9361 1.9361 2.6982 2.6982 2.9455 2.9455 3.3949 3.3949 5.6238 5.6238 6.0551 6.0551 6.1629 6.1629 6.5938 6.5938 7.1235 7.1235 9.5002 9.5002 k = 0.3830-0.6069-0.3443 ( 3916 PWs) bands (ev): -65.5208 -65.5208 -37.5899 -37.5899 -36.5861 -36.5861 -36.5412 -36.5412 -7.3935 -7.3935 -7.1244 -7.1244 0.8167 0.8167 1.3123 1.3123 1.9619 1.9619 2.6732 2.6732 2.9323 2.9323 3.3689 3.3689 5.6174 5.6174 6.0521 6.0521 6.1584 6.1584 6.6029 6.6029 7.1372 7.1372 9.4883 9.4883 k = 0.3936-0.6238-0.3538 ( 3921 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5861 -36.5861 -36.5413 -36.5413 -7.3711 -7.3711 -7.1231 -7.1231 0.7687 0.7687 1.2969 1.2969 1.9915 1.9915 2.6469 2.6469 2.9211 2.9211 3.3451 3.3451 5.6115 5.6115 6.0494 6.0494 6.1531 6.1531 6.6114 6.6114 7.1510 7.1510 9.4795 9.4795 k = 0.4043-0.6406-0.3634 ( 3921 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5861 -36.5861 -36.5413 -36.5413 -7.3497 -7.3497 -7.1225 -7.1225 0.7240 0.7240 1.2814 1.2814 2.0238 2.0238 2.6196 2.6196 2.9117 2.9117 3.3234 3.3234 5.6059 5.6059 6.0468 6.0468 6.1471 6.1471 6.6192 6.6192 7.1647 7.1647 9.4739 9.4739 k = 0.4149-0.6575-0.3730 ( 3923 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5861 -36.5861 -36.5414 -36.5414 -7.3295 -7.3295 -7.1228 -7.1228 0.6830 0.6830 1.2665 1.2665 2.0579 2.0579 2.5914 2.5914 2.9038 2.9038 3.3039 3.3039 5.6008 5.6008 6.0443 6.0443 6.1408 6.1408 6.6264 6.6264 7.1781 7.1781 9.4715 9.4715 k = 0.4255-0.6743-0.3825 ( 3922 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5415 -36.5415 -7.3105 -7.3105 -7.1238 -7.1238 0.6461 0.6461 1.2525 1.2525 2.0933 2.0933 2.5625 2.5625 2.8972 2.8972 3.2867 3.2867 5.5962 5.5962 6.0421 6.0421 6.1344 6.1344 6.6329 6.6329 7.1908 7.1908 9.4720 9.4720 k = 0.4362-0.6912-0.3921 ( 3921 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5415 -36.5415 -7.2929 -7.2929 -7.1255 -7.1255 0.6136 0.6136 1.2398 1.2398 2.1294 2.1294 2.5329 2.5329 2.8916 2.8916 3.2717 3.2717 5.5921 5.5921 6.0401 6.0401 6.1283 6.1283 6.6385 6.6385 7.2026 7.2026 9.4755 9.4755 k = 0.4468-0.7080-0.4016 ( 3921 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.2770 -7.2770 -7.1279 -7.1279 0.5858 0.5858 1.2286 1.2286 2.1657 2.1657 2.5027 2.5027 2.8871 2.8871 3.2591 3.2591 5.5886 5.5886 6.0383 6.0383 6.1226 6.1226 6.6433 6.6433 7.2132 7.2132 9.4816 9.4816 k = 0.4574-0.7249-0.4112 ( 3927 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.2630 -7.2630 -7.1307 -7.1307 0.5629 0.5629 1.2191 1.2191 2.2019 2.2019 2.4719 2.4719 2.8834 2.8834 3.2487 3.2487 5.5856 5.5856 6.0368 6.0368 6.1176 6.1176 6.6473 6.6473 7.2223 7.2223 9.4898 9.4898 k = 0.4681-0.7418-0.4208 ( 3926 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.2512 -7.2512 -7.1337 -7.1337 0.5449 0.5449 1.2116 1.2116 2.2378 2.2378 2.4405 2.4405 2.8806 2.8806 3.2407 3.2407 5.5833 5.5833 6.0356 6.0356 6.1136 6.1136 6.6504 6.6504 7.2297 7.2297 9.4994 9.4994 k = 0.4787-0.7586-0.4303 ( 3925 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.2421 -7.2421 -7.1364 -7.1364 0.5320 0.5320 1.2062 1.2062 2.2732 2.2732 2.4085 2.4085 2.8786 2.8786 3.2349 3.2349 5.5816 5.5816 6.0346 6.0346 6.1106 6.1106 6.6527 6.6527 7.2351 7.2351 9.5090 9.5090 k = 0.4894-0.7755-0.4399 ( 3929 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5861 -36.5861 -36.5417 -36.5417 -7.2363 -7.2363 -7.1384 -7.1384 0.5242 0.5242 1.2029 1.2029 2.3080 2.3080 2.3757 2.3757 2.8775 2.8775 3.2315 3.2315 5.5806 5.5806 6.0341 6.0341 6.1087 6.1087 6.6540 6.6540 7.2384 7.2384 9.5164 9.5164 k = 0.5000-0.7923-0.4495 ( 3932 PWs) bands (ev): -65.5208 -65.5208 -37.5902 -37.5902 -36.5861 -36.5861 -36.5417 -36.5417 -7.2343 -7.2343 -7.1391 -7.1391 0.5216 0.5216 1.2018 1.2018 2.3401 2.3401 2.3444 2.3444 2.8771 2.8771 3.2303 3.2303 5.5803 5.5803 6.0339 6.0339 6.1081 6.1081 6.6545 6.6545 7.2395 7.2395 9.5192 9.5192 k = 0.5000-0.7923 0.4909 ( 3928 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5417 -36.5417 -7.2988 -7.2988 -7.0655 -7.0655 0.3278 0.3278 1.0078 1.0078 2.3253 2.3253 2.7048 2.7048 3.2490 3.2490 3.2548 3.2548 5.4678 5.4678 6.0341 6.0341 6.1106 6.1106 6.7783 6.7783 7.5913 7.5913 8.4258 8.4258 k = 0.4894-0.7755 0.4804 ( 3926 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5417 -36.5417 -7.2999 -7.2999 -7.0658 -7.0658 0.3307 0.3307 1.0085 1.0085 2.3243 2.3243 2.7058 2.7058 3.2401 3.2401 3.2636 3.2636 5.4687 5.4687 6.0341 6.0341 6.1108 6.1108 6.7778 6.7778 7.5902 7.5902 8.4289 8.4289 k = 0.4787-0.7586 0.4700 ( 3930 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.3030 -7.3030 -7.0666 -7.0666 0.3394 0.3394 1.0106 1.0106 2.3212 2.3212 2.7088 2.7088 3.2284 3.2284 3.2749 3.2749 5.4715 5.4715 6.0341 6.0341 6.1114 6.1114 6.7764 6.7764 7.5867 7.5867 8.4382 8.4382 k = 0.4681-0.7418 0.4596 ( 3930 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.3081 -7.3081 -7.0680 -7.0680 0.3538 0.3538 1.0140 1.0140 2.3162 2.3162 2.7137 2.7137 3.2161 3.2161 3.2869 3.2869 5.4761 5.4761 6.0342 6.0342 6.1123 6.1123 6.7740 6.7740 7.5810 7.5810 8.4536 8.4536 k = 0.4574-0.7249 0.4491 ( 3933 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.3152 -7.3152 -7.0699 -7.0699 0.3739 0.3739 1.0186 1.0186 2.3093 2.3093 2.7204 2.7204 3.2031 3.2031 3.2997 3.2997 5.4824 5.4824 6.0342 6.0342 6.1134 6.1134 6.7706 6.7706 7.5731 7.5731 8.4751 8.4751 k = 0.4468-0.7080 0.4387 ( 3928 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5416 -36.5416 -7.3243 -7.3243 -7.0723 -7.0723 0.3996 0.3996 1.0244 1.0244 2.3007 2.3007 2.7287 2.7287 3.1897 3.1897 3.3137 3.3137 5.4902 5.4902 6.0343 6.0343 6.1147 6.1147 6.7663 6.7663 7.5630 7.5630 8.5025 8.5025 k = 0.4362-0.6912 0.4282 ( 3926 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5415 -36.5415 -7.3353 -7.3353 -7.0752 -7.0752 0.4307 0.4307 1.0313 1.0313 2.2905 2.2905 2.7385 2.7385 3.1760 3.1760 3.3290 3.3290 5.4993 5.4993 6.0344 6.0344 6.1161 6.1161 6.7610 6.7610 7.5509 7.5509 8.5358 8.5358 k = 0.4255-0.6743 0.4178 ( 3922 PWs) bands (ev): -65.5208 -65.5208 -37.5901 -37.5901 -36.5861 -36.5861 -36.5415 -36.5415 -7.3480 -7.3480 -7.0787 -7.0787 0.4672 0.4672 1.0390 1.0390 2.2789 2.2789 2.7495 2.7495 3.1626 3.1626 3.3459 3.3459 5.5095 5.5095 6.0346 6.0346 6.1174 6.1174 6.7548 6.7548 7.5369 7.5369 8.5747 8.5747 k = 0.4149-0.6575 0.4073 ( 3919 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5861 -36.5861 -36.5414 -36.5414 -7.3624 -7.3624 -7.0826 -7.0826 0.5087 0.5087 1.0474 1.0474 2.2662 2.2662 2.7615 2.7615 3.1498 3.1498 3.3644 3.3644 5.5207 5.5207 6.0349 6.0349 6.1185 6.1185 6.7475 6.7475 7.5210 7.5210 8.6191 8.6191 k = 0.4043-0.6406 0.3969 ( 3921 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5861 -36.5861 -36.5414 -36.5414 -7.3784 -7.3784 -7.0871 -7.0871 0.5552 0.5552 1.0563 1.0563 2.2526 2.2526 2.7742 2.7742 3.1382 3.1382 3.3846 3.3846 5.5324 5.5324 6.0354 6.0354 6.1194 6.1194 6.7393 6.7393 7.5035 7.5035 8.6687 8.6687 k = 0.3936-0.6238 0.3864 ( 3918 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5861 -36.5861 -36.5413 -36.5413 -7.3959 -7.3959 -7.0919 -7.0919 0.6063 0.6063 1.0656 1.0656 2.2385 2.2385 2.7872 2.7872 3.1285 3.1285 3.4065 3.4065 5.5447 5.5447 6.0359 6.0359 6.1198 6.1198 6.7301 6.7301 7.4845 7.4845 8.7231 8.7231 k = 0.3830-0.6069 0.3760 ( 3919 PWs) bands (ev): -65.5208 -65.5208 -37.5900 -37.5900 -36.5861 -36.5861 -36.5412 -36.5412 -7.4147 -7.4147 -7.0973 -7.0973 0.6615 0.6615 1.0751 1.0751 2.2242 2.2242 2.8002 2.8002 3.1212 3.1212 3.4302 3.4302 5.5573 5.5573 6.0367 6.0367 6.1198 6.1198 6.7199 6.7199 7.4641 7.4641 8.7819 8.7819 k = 0.3723-0.5900 0.3656 ( 3913 PWs) bands (ev): -65.5208 -65.5208 -37.5899 -37.5899 -36.5861 -36.5861 -36.5411 -36.5411 -7.4348 -7.4348 -7.1030 -7.1030 0.7204 0.7204 1.0848 1.0848 2.2104 2.2104 2.8126 2.8126 3.1171 3.1171 3.4556 3.4556 5.5701 5.5701 6.0376 6.0376 6.1193 6.1193 6.7089 6.7089 7.4426 7.4426 8.8448 8.8448 k = 0.3617-0.5732 0.3551 ( 3908 PWs) bands (ev): -65.5208 -65.5208 -37.5899 -37.5899 -36.5860 -36.5860 -36.5410 -36.5410 -7.4560 -7.4560 -7.1091 -7.1091 0.7818 0.7818 1.0951 1.0951 2.1974 2.1974 2.8242 2.8242 3.1166 3.1166 3.4827 3.4827 5.5828 5.5828 6.0386 6.0386 6.1183 6.1183 6.6970 6.6970 7.4201 7.4201 8.9113 8.9113 k = 0.3511-0.5563 0.3447 ( 3909 PWs) bands (ev): -65.5208 -65.5208 -37.5898 -37.5898 -36.5860 -36.5860 -36.5409 -36.5409 -7.4781 -7.4781 -7.1156 -7.1156 0.8442 0.8442 1.1070 1.1070 2.1859 2.1859 2.8344 2.8344 3.1203 3.1203 3.5115 3.5115 5.5955 5.5955 6.0396 6.0396 6.1167 6.1167 6.6843 6.6843 7.3969 7.3969 8.9807 8.9807 k = 0.3404-0.5395 0.3342 ( 3910 PWs) bands (ev): -65.5208 -65.5208 -37.5898 -37.5898 -36.5860 -36.5860 -36.5408 -36.5408 -7.5011 -7.5011 -7.1223 -7.1223 0.9041 0.9041 1.1231 1.1231 2.1765 2.1765 2.8432 2.8432 3.1285 3.1285 3.5419 3.5419 5.6079 5.6079 6.0407 6.0407 6.1146 6.1146 6.6709 6.6709 7.3730 7.3730 9.0527 9.0527 k = 0.3298-0.5226 0.3238 ( 3907 PWs) bands (ev): -65.5208 -65.5208 -37.5897 -37.5897 -36.5860 -36.5860 -36.5407 -36.5407 -7.5248 -7.5248 -7.1294 -7.1294 0.9553 0.9553 1.1492 1.1492 2.1698 2.1698 2.8506 2.8506 3.1411 3.1411 3.5739 3.5739 5.6200 5.6200 6.0416 6.0416 6.1121 6.1121 6.6569 6.6569 7.3489 7.3489 9.1267 9.1267 k = 0.3191-0.5057 0.3133 ( 3912 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5860 -36.5860 -36.5407 -36.5407 -7.5491 -7.5491 -7.1367 -7.1367 0.9900 0.9900 1.1923 1.1923 2.1662 2.1662 2.8565 2.8565 3.1580 3.1580 3.6073 3.6073 5.6317 5.6317 6.0421 6.0421 6.1092 6.1092 6.6424 6.6424 7.3247 7.3247 9.2019 9.2019 k = 0.3085-0.4889 0.3029 ( 3913 PWs) bands (ev): -65.5209 -65.5209 -37.5897 -37.5897 -36.5860 -36.5860 -36.5405 -36.5405 -7.5739 -7.5739 -7.1442 -7.1442 1.0063 1.0063 1.2539 1.2539 2.1663 2.1663 2.8615 2.8615 3.1788 3.1788 3.6421 3.6421 5.6431 5.6431 6.0421 6.0421 6.1063 6.1063 6.6276 6.6276 7.3005 7.3005 9.2778 9.2778 k = 0.2979-0.4720 0.2924 ( 3910 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5860 -36.5860 -36.5404 -36.5404 -7.5990 -7.5990 -7.1518 -7.1518 1.0091 1.0091 1.3284 1.3284 2.1704 2.1704 2.8658 2.8658 3.2032 3.2032 3.6781 3.6781 5.6539 5.6539 6.0411 6.0411 6.1034 6.1034 6.6126 6.6126 7.2768 7.2768 9.3536 9.3536 k = 0.2872-0.4552 0.2820 ( 3903 PWs) bands (ev): -65.5209 -65.5209 -37.5896 -37.5896 -36.5860 -36.5860 -36.5403 -36.5403 -7.6243 -7.6243 -7.1596 -7.1596 1.0031 1.0031 1.4107 1.4107 2.1788 2.1788 2.8697 2.8697 3.2307 3.2307 3.7153 3.7153 5.6643 5.6643 6.0388 6.0388 6.1008 6.1008 6.5977 6.5977 7.2537 7.2537 9.4285 9.4285 k = 0.2766-0.4383 0.2716 ( 3903 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5860 -36.5860 -36.5402 -36.5402 -7.6497 -7.6497 -7.1675 -7.1675 0.9911 0.9911 1.4978 1.4978 2.1917 2.1917 2.8736 2.8736 3.2610 3.2610 3.7535 3.7535 5.6742 5.6742 6.0349 6.0349 6.0986 6.0986 6.5831 6.5831 7.2315 7.2315 9.5018 9.5018 k = 0.2660-0.4215 0.2611 ( 3906 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5860 -36.5860 -36.5401 -36.5401 -7.6751 -7.6751 -7.1754 -7.1754 0.9746 0.9746 1.5878 1.5878 2.2091 2.2091 2.8777 2.8777 3.2937 3.2937 3.7925 3.7925 5.6835 5.6835 6.0292 6.0292 6.0965 6.0965 6.5689 6.5689 7.2105 7.2105 9.5723 9.5723 k = 0.2553-0.4046 0.2507 ( 3907 PWs) bands (ev): -65.5209 -65.5209 -37.5895 -37.5895 -36.5860 -36.5860 -36.5400 -36.5400 -7.7004 -7.7004 -7.1834 -7.1834 0.9545 0.9545 1.6793 1.6793 2.2311 2.2311 2.8822 2.8822 3.3285 3.3285 3.8322 3.8322 5.6924 5.6924 6.0217 6.0217 6.0946 6.0946 6.5557 6.5557 7.1909 7.1909 9.6388 9.6388 k = 0.2447-0.3877 0.2402 ( 3911 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5860 -36.5860 -36.5399 -36.5399 -7.7254 -7.7254 -7.1913 -7.1913 0.9317 0.9317 1.7712 1.7712 2.2579 2.2579 2.8873 2.8873 3.3654 3.3654 3.8724 3.8724 5.7007 5.7007 6.0126 6.0126 6.0923 6.0923 6.5435 6.5435 7.1731 7.1731 9.6998 9.6998 k = 0.2340-0.3709 0.2298 ( 3915 PWs) bands (ev): -65.5209 -65.5209 -37.5894 -37.5894 -36.5860 -36.5860 -36.5398 -36.5398 -7.7500 -7.7500 -7.1992 -7.1992 0.9066 0.9066 1.8620 1.8620 2.2897 2.2897 2.8930 2.8930 3.4042 3.4042 3.9130 3.9130 5.7085 5.7085 6.0018 6.0018 6.0893 6.0893 6.5327 6.5327 7.1573 7.1573 9.7538 9.7538 k = 0.2234-0.3540 0.2193 ( 3915 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5860 -36.5860 -36.5397 -36.5397 -7.7742 -7.7742 -7.2070 -7.2070 0.8798 0.8798 1.9502 1.9502 2.3271 2.3271 2.8995 2.8995 3.4448 3.4448 3.9537 3.9537 5.7159 5.7159 5.9895 5.9895 6.0853 6.0853 6.5235 6.5235 7.1439 7.1439 9.7987 9.7987 k = 0.2128-0.3372 0.2089 ( 3919 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5860 -36.5860 -36.5396 -36.5396 -7.7979 -7.7979 -7.2146 -7.2146 0.8519 0.8519 2.0339 2.0339 2.3707 2.3707 2.9069 2.9069 3.4871 3.4871 3.9943 3.9943 5.7227 5.7227 5.9756 5.9756 6.0800 6.0800 6.5161 6.5161 7.1330 7.1330 9.8323 9.8323 k = 0.2021-0.3203 0.1984 ( 3919 PWs) bands (ev): -65.5209 -65.5209 -37.5893 -37.5893 -36.5860 -36.5860 -36.5394 -36.5394 -7.8210 -7.8210 -7.2221 -7.2221 0.8233 0.8233 2.1111 2.1111 2.4215 2.4215 2.9154 2.9154 3.5313 3.5313 4.0347 4.0347 5.7291 5.7291 5.9604 5.9604 6.0732 6.0732 6.5107 6.5107 7.1250 7.1250 9.8525 9.8525 k = 0.1915-0.3034 0.1880 ( 3920 PWs) bands (ev): -65.5209 -65.5209 -37.5892 -37.5892 -36.5860 -36.5860 -36.5393 -36.5393 -7.8434 -7.8434 -7.2294 -7.2294 0.7944 0.7944 2.1802 2.1802 2.4797 2.4797 2.9251 2.9251 3.5775 3.5775 4.0746 4.0746 5.7349 5.7349 5.9437 5.9437 6.0650 6.0650 6.5072 6.5072 7.1201 7.1201 9.8570 9.8570 k = 0.1809-0.2866 0.1776 ( 3921 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5860 -36.5860 -36.5392 -36.5392 -7.8649 -7.8649 -7.2365 -7.2365 0.7654 0.7654 2.2408 2.2408 2.5445 2.5445 2.9362 2.9362 3.6256 3.6256 4.1137 4.1137 5.7402 5.7402 5.9258 5.9258 6.0552 6.0552 6.5057 6.5057 7.1185 7.1185 9.8435 9.8435 k = 0.1702-0.2697 0.1671 ( 3922 PWs) bands (ev): -65.5210 -65.5210 -37.5892 -37.5892 -36.5860 -36.5860 -36.5391 -36.5391 -7.8856 -7.8856 -7.2434 -7.2434 0.7369 0.7369 2.2934 2.2934 2.6136 2.6136 2.9491 2.9491 3.6760 3.6760 4.1520 4.1520 5.7447 5.7447 5.9068 5.9068 6.0442 6.0442 6.5058 6.5058 7.1202 7.1202 9.8106 9.8106 k = 0.1596-0.2529 0.1567 ( 3918 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5860 -36.5860 -36.5390 -36.5390 -7.9054 -7.9054 -7.2500 -7.2500 0.7089 0.7089 2.3395 2.3395 2.6840 2.6840 2.9642 2.9642 3.7288 3.7288 4.1892 4.1892 5.7482 5.7482 5.8870 5.8870 6.0319 6.0319 6.5076 6.5076 7.1253 7.1253 9.7589 9.7589 k = 0.1489-0.2360 0.1462 ( 3910 PWs) bands (ev): -65.5210 -65.5210 -37.5891 -37.5891 -36.5859 -36.5859 -36.5389 -36.5389 -7.9242 -7.9242 -7.2562 -7.2562 0.6818 0.6818 2.3804 2.3804 2.7523 2.7523 2.9824 2.9824 3.7841 3.7841 4.2252 4.2252 5.7503 5.7503 5.8668 5.8668 6.0187 6.0187 6.5107 6.5107 7.1339 7.1339 9.6923 9.6923 k = 0.1383-0.2192 0.1358 ( 3903 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5859 -36.5859 -36.5388 -36.5388 -7.9420 -7.9420 -7.2622 -7.2622 0.6559 0.6559 2.4170 2.4170 2.8153 2.8153 3.0047 3.0047 3.8421 3.8421 4.2598 4.2598 5.7502 5.7502 5.8473 5.8473 6.0046 6.0046 6.5148 6.5148 7.1458 7.1458 9.6160 9.6160 k = 0.1277-0.2023 0.1253 ( 3898 PWs) bands (ev): -65.5210 -65.5210 -37.5890 -37.5890 -36.5859 -36.5859 -36.5387 -36.5387 -7.9586 -7.9586 -7.2678 -7.2678 0.6312 0.6312 2.4499 2.4499 2.8699 2.8699 3.0323 3.0323 3.9027 3.9027 4.2927 4.2927 5.7465 5.7465 5.8299 5.8299 5.9901 5.9901 6.5198 6.5198 7.1607 7.1607 9.5341 9.5341 k = 0.1170-0.1854 0.1149 ( 3899 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5387 -36.5387 -7.9741 -7.9741 -7.2730 -7.2730 0.6079 0.6079 2.4796 2.4796 2.9144 2.9144 3.0657 3.0657 3.9657 3.9657 4.3240 4.3240 5.7375 5.7375 5.8165 5.8165 5.9751 5.9751 6.5254 6.5254 7.1785 7.1785 9.4499 9.4499 k = 0.1064-0.1686 0.1044 ( 3897 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5386 -36.5386 -7.9884 -7.9884 -7.2778 -7.2778 0.5863 0.5863 2.5061 2.5061 2.9496 2.9496 3.1030 3.1030 4.0305 4.0305 4.3535 4.3535 5.7226 5.7226 5.8080 5.8080 5.9600 5.9600 6.5313 6.5313 7.1985 7.1985 9.3659 9.3659 k = 0.0957-0.1517 0.0940 ( 3899 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5385 -36.5385 -8.0014 -8.0014 -7.2822 -7.2822 0.5663 0.5663 2.5297 2.5297 2.9780 2.9780 3.1410 3.1410 4.0965 4.0965 4.3810 4.3810 5.7031 5.7031 5.8031 5.8031 5.9452 5.9452 6.5374 6.5374 7.2204 7.2204 9.2841 9.2841 k = 0.0851-0.1349 0.0836 ( 3896 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5385 -36.5385 -8.0132 -8.0132 -7.2862 -7.2862 0.5482 0.5482 2.5504 2.5504 3.0020 3.0020 3.1768 3.1768 4.1625 4.1625 4.4064 4.4064 5.6811 5.6811 5.8000 5.8000 5.9309 5.9309 6.5435 6.5435 7.2434 7.2434 9.2062 9.2062 k = 0.0745-0.1180 0.0731 ( 3894 PWs) bands (ev): -65.5210 -65.5210 -37.5889 -37.5889 -36.5859 -36.5859 -36.5384 -36.5384 -8.0237 -8.0237 -7.2898 -7.2898 0.5320 0.5320 2.5682 2.5682 3.0231 3.0231 3.2088 3.2088 4.2272 4.2272 4.4297 4.4297 5.6582 5.6582 5.7974 5.7974 5.9175 5.9175 6.5493 6.5493 7.2668 7.2668 9.1338 9.1338 k = 0.0638-0.1011 0.0627 ( 3890 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0328 -8.0328 -7.2929 -7.2929 0.5179 0.5179 2.5834 2.5834 3.0419 3.0419 3.2360 3.2360 4.2890 4.2890 4.4506 4.4506 5.6356 5.6356 5.7944 5.7944 5.9056 5.9056 6.5548 6.5548 7.2899 7.2899 9.0682 9.0682 k = 0.0532-0.0843 0.0522 ( 3888 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0406 -8.0406 -7.2956 -7.2956 0.5058 0.5058 2.5960 2.5960 3.0585 3.0585 3.2584 3.2584 4.3459 4.3459 4.4690 4.4690 5.6143 5.6143 5.7908 5.7908 5.8956 5.8956 6.5596 6.5596 7.3116 7.3116 9.0105 9.0105 k = 0.0426-0.0674 0.0418 ( 3884 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5383 -36.5383 -8.0470 -8.0470 -7.2978 -7.2978 0.4958 0.4958 2.6061 2.6061 3.0728 3.0728 3.2759 3.2759 4.3960 4.3960 4.4850 4.4850 5.5950 5.5950 5.7866 5.7866 5.8877 5.8877 6.5638 6.5638 7.3311 7.3311 8.9619 8.9619 k = 0.0319-0.0506 0.0313 ( 3888 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0519 -8.0519 -7.2995 -7.2995 0.4880 0.4880 2.6139 2.6139 3.0845 3.0845 3.2891 3.2891 4.4368 4.4368 4.4986 4.4986 5.5786 5.5786 5.7823 5.7823 5.8819 5.8819 6.5672 6.5672 7.3474 7.3474 8.9232 8.9232 k = 0.0213-0.0337 0.0209 ( 3886 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0555 -8.0555 -7.3007 -7.3007 0.4824 0.4824 2.6193 2.6193 3.0931 3.0931 3.2982 3.2982 4.4660 4.4660 4.5100 4.5100 5.5661 5.5661 5.7784 5.7784 5.8781 5.8781 6.5696 6.5696 7.3598 7.3598 8.8950 8.8950 k = 0.0106-0.0169 0.0104 ( 3883 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0577 -8.0577 -7.3014 -7.3014 0.4790 0.4790 2.6226 2.6226 3.0984 3.0984 3.3034 3.3034 4.4826 4.4826 4.5187 4.5187 5.5582 5.5582 5.7758 5.7758 5.8759 5.8759 6.5711 6.5711 7.3675 7.3675 8.8780 8.8780 k = 0.0000 0.0000 0.0000 ( 3883 PWs) bands (ev): -65.5210 -65.5210 -37.5888 -37.5888 -36.5859 -36.5859 -36.5382 -36.5382 -8.0584 -8.0584 -7.3017 -7.3017 0.4779 0.4779 2.6236 2.6236 3.1002 3.1002 3.3052 3.3052 4.4877 4.4877 4.5222 4.5222 5.5555 5.5555 5.7748 5.7748 5.8752 5.8752 6.5716 6.5716 7.3701 7.3701 8.8722 8.8722 Writing output data file CrI2.save init_run : 2.97s CPU 14.02s WALL ( 1 calls) electrons : 598.07s CPU 605.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.56s CPU 1.65s WALL ( 1 calls) Called by electrons: c_bands : 598.03s CPU 605.12s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.94s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.16s CPU 0.63s WALL ( 1 calls) newd : 0.67s CPU 0.72s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.40s WALL ( 378 calls) cegterg : 560.93s CPU 565.03s WALL ( 758 calls) Called by sum_band: Called by *egterg: h_psi : 409.86s CPU 417.98s WALL ( 11619 calls) s_psi : 16.70s CPU 16.85s WALL ( 11619 calls) g_psi : 0.43s CPU 0.51s WALL ( 10483 calls) cdiaghg : 102.22s CPU 100.04s WALL ( 10861 calls) cegterg:over : 28.48s CPU 26.33s WALL ( 10483 calls) cegterg:upda : 4.02s CPU 6.64s WALL ( 10483 calls) cegterg:last : 3.88s CPU 4.68s WALL ( 1948 calls) Called by h_psi: h_psi:vloc : 378.30s CPU 384.89s WALL ( 11619 calls) h_psi:vnl : 31.39s CPU 32.55s WALL ( 11619 calls) add_vuspsi : 9.76s CPU 12.71s WALL ( 11619 calls) General routines calbec : 21.57s CPU 19.73s WALL ( 11619 calls) fft : 0.37s CPU 1.57s WALL ( 19 calls) ffts : 0.01s CPU 0.12s WALL ( 4 calls) fftw : 329.66s CPU 330.81s WALL ( 876268 calls) interpolate : 0.09s CPU 0.20s WALL ( 4 calls) davcio : 0.05s CPU 1.16s WALL ( 756 calls) Parallel routines fft_scatter : 178.29s CPU 170.62s WALL ( 876291 calls) PWSCF : 10m46.08s CPU 12m 8.38s WALL This run was terminated on: 11: 1:28 24May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=