Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:21:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TlS.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 48 41 12 949 741 119 Max 49 42 13 952 755 120 Sum 1745 1477 437 34203 26867 4309 bravais-lattice index = 14 lattice parameter (alat) = 14.3835 a.u. unit-cell volume = 660.5676 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 211.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.383534 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.865683 celldm(5)= 0.865683 celldm(6)= 0.865683 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.865683 0.500592 0.000000 ) a(3) = ( 0.865683 0.232276 0.443441 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.729318 -1.046369 ) b(2) = ( 0.000000 1.997633 -1.046369 ) b(3) = ( 0.000000 0.000000 2.255089 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Tl 13.00 204.38330 Tl( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0106383 -0.0183970 -0.0111316), wk = 0.0032573 k( 3) = ( 0.0212766 -0.0367940 -0.0222632), wk = 0.0032573 k( 4) = ( 0.0319149 -0.0551910 -0.0333947), wk = 0.0032573 k( 5) = ( 0.0425532 -0.0735880 -0.0445263), wk = 0.0032573 k( 6) = ( 0.0531915 -0.0919850 -0.0556579), wk = 0.0032573 k( 7) = ( 0.0638298 -0.1103820 -0.0667895), wk = 0.0032573 k( 8) = ( 0.0744681 -0.1287790 -0.0779211), wk = 0.0032573 k( 9) = ( 0.0851064 -0.1471760 -0.0890527), wk = 0.0032573 k( 10) = ( 0.0957447 -0.1655730 -0.1001843), wk = 0.0032573 k( 11) = ( 0.1063830 -0.1839700 -0.1113158), wk = 0.0032573 k( 12) = ( 0.1170213 -0.2023670 -0.1224474), wk = 0.0032573 k( 13) = ( 0.1276596 -0.2207639 -0.1335790), wk = 0.0032573 k( 14) = ( 0.1382979 -0.2391609 -0.1447106), wk = 0.0032573 k( 15) = ( 0.1489362 -0.2575579 -0.1558422), wk = 0.0032573 k( 16) = ( 0.1595745 -0.2759549 -0.1669738), wk = 0.0032573 k( 17) = ( 0.1702128 -0.2943519 -0.1781053), wk = 0.0032573 k( 18) = ( 0.1808511 -0.3127489 -0.1892369), wk = 0.0032573 k( 19) = ( 0.1914894 -0.3311459 -0.2003685), wk = 0.0032573 k( 20) = ( 0.2021277 -0.3495429 -0.2115001), wk = 0.0032573 k( 21) = ( 0.2127660 -0.3679399 -0.2226317), wk = 0.0032573 k( 22) = ( 0.2234043 -0.3863369 -0.2337633), wk = 0.0032573 k( 23) = ( 0.2340425 -0.4047339 -0.2448948), wk = 0.0032573 k( 24) = ( 0.2446809 -0.4231309 -0.2560264), wk = 0.0032573 k( 25) = ( 0.2553191 -0.4415279 -0.2671580), wk = 0.0032573 k( 26) = ( 0.2659574 -0.4599249 -0.2782896), wk = 0.0032573 k( 27) = ( 0.2765957 -0.4783219 -0.2894212), wk = 0.0032573 k( 28) = ( 0.2872340 -0.4967189 -0.3005528), wk = 0.0032573 k( 29) = ( 0.2978723 -0.5151159 -0.3116843), wk = 0.0032573 k( 30) = ( 0.3085106 -0.5335129 -0.3228159), wk = 0.0032573 k( 31) = ( 0.3191489 -0.5519099 -0.3339475), wk = 0.0032573 k( 32) = ( 0.3297872 -0.5703069 -0.3450791), wk = 0.0032573 k( 33) = ( 0.3404255 -0.5887039 -0.3562107), wk = 0.0032573 k( 34) = ( 0.3510638 -0.6071009 -0.3673423), wk = 0.0032573 k( 35) = ( 0.3617021 -0.6254979 -0.3784738), wk = 0.0032573 k( 36) = ( 0.3723404 -0.6438949 -0.3896054), wk = 0.0032573 k( 37) = ( 0.3829787 -0.6622919 -0.4007370), wk = 0.0032573 k( 38) = ( 0.3936170 -0.6806889 -0.4118686), wk = 0.0032573 k( 39) = ( 0.4042553 -0.6990859 -0.4230002), wk = 0.0032573 k( 40) = ( 0.4148936 -0.7174829 -0.4341318), wk = 0.0032573 k( 41) = ( 0.4255319 -0.7358798 -0.4452633), wk = 0.0032573 k( 42) = ( 0.4361702 -0.7542768 -0.4563949), wk = 0.0032573 k( 43) = ( 0.4468085 -0.7726738 -0.4675265), wk = 0.0032573 k( 44) = ( 0.4574468 -0.7910708 -0.4786581), wk = 0.0032573 k( 45) = ( 0.4680851 -0.8094678 -0.4897897), wk = 0.0032573 k( 46) = ( 0.4787234 -0.8278648 -0.5009213), wk = 0.0032573 k( 47) = ( 0.4893617 -0.8462618 -0.5120528), wk = 0.0032573 k( 48) = ( 0.5000000 -0.8646588 -0.5231844), wk = 0.0032573 k( 49) = ( 0.5000000 -0.8646588 -0.5231844), wk = 0.0032573 k( 50) = ( 0.5000000 -0.8524694 -0.5433298), wk = 0.0032573 k( 51) = ( 0.5000000 -0.8402799 -0.5634751), wk = 0.0032573 k( 52) = ( 0.5000000 -0.8280904 -0.5836205), wk = 0.0032573 k( 53) = ( 0.5000000 -0.8159010 -0.6037658), wk = 0.0032573 k( 54) = ( 0.5000000 -0.8037115 -0.6239111), wk = 0.0032573 k( 55) = ( 0.5000000 -0.7915221 -0.6440565), wk = 0.0032573 k( 56) = ( 0.5000000 -0.7793326 -0.6642018), wk = 0.0032573 k( 57) = ( 0.5000000 -0.7671431 -0.6843471), wk = 0.0032573 k( 58) = ( 0.5000000 -0.7549537 -0.7044925), wk = 0.0032573 k( 59) = ( 0.5000000 -0.7427642 -0.7246378), wk = 0.0032573 k( 60) = ( 0.5000000 -0.7305747 -0.7447831), wk = 0.0032573 k( 61) = ( 0.5000000 -0.7183853 -0.7649285), wk = 0.0032573 k( 62) = ( 0.5000000 -0.7061958 -0.7850738), wk = 0.0032573 k( 63) = ( 0.5000000 -0.6940063 -0.8052192), wk = 0.0032573 k( 64) = ( 0.5000000 -0.6818169 -0.8253645), wk = 0.0032573 k( 65) = ( 0.5000000 -0.6696274 -0.8455099), wk = 0.0032573 k( 66) = ( 0.5000000 -0.6574379 -0.8656552), wk = 0.0032573 k( 67) = ( 0.5000000 -0.6452485 -0.8858005), wk = 0.0032573 k( 68) = ( 0.5000000 -0.6330590 -0.9059459), wk = 0.0032573 k( 69) = ( 0.5000000 -0.6208696 -0.9260912), wk = 0.0032573 k( 70) = ( 0.5000000 -0.6086801 -0.9462366), wk = 0.0032573 k( 71) = ( 0.5000000 -0.5964906 -0.9663819), wk = 0.0032573 k( 72) = ( 0.5000000 -0.5843012 -0.9865272), wk = 0.0032573 k( 73) = ( 0.5000000 -0.5721117 -1.0066726), wk = 0.0032573 k( 74) = ( 0.5000000 -0.5599222 -1.0268179), wk = 0.0032573 k( 75) = ( 0.5000000 -0.5477328 -1.0469633), wk = 0.0032573 k( 76) = ( 0.5000000 -0.5355433 -1.0671086), wk = 0.0032573 k( 77) = ( 0.5000000 -0.5233538 -1.0872539), wk = 0.0032573 k( 78) = ( 0.5000000 -0.5111644 -1.1073993), wk = 0.0032573 k( 79) = ( 0.5000000 -0.4989749 -1.1275446), wk = 0.0032573 k( 80) = ( 0.8169414 -0.4139345 -0.9651931), wk = 0.0032573 k( 81) = ( 0.8107269 -0.4031876 -0.9446761), wk = 0.0032573 k( 82) = ( 0.8045124 -0.3924407 -0.9241590), wk = 0.0032573 k( 83) = ( 0.7982978 -0.3816938 -0.9036420), wk = 0.0032573 k( 84) = ( 0.7920833 -0.3709469 -0.8831249), wk = 0.0032573 k( 85) = ( 0.7858687 -0.3601999 -0.8626079), wk = 0.0032573 k( 86) = ( 0.7796542 -0.3494530 -0.8420909), wk = 0.0032573 k( 87) = ( 0.7734397 -0.3387061 -0.8215738), wk = 0.0032573 k( 88) = ( 0.7672251 -0.3279592 -0.8010568), wk = 0.0032573 k( 89) = ( 0.7610106 -0.3172123 -0.7805398), wk = 0.0032573 k( 90) = ( 0.7547961 -0.3064654 -0.7600227), wk = 0.0032573 k( 91) = ( 0.7485815 -0.2957185 -0.7395057), wk = 0.0032573 k( 92) = ( 0.7423670 -0.2849716 -0.7189887), wk = 0.0032573 k( 93) = ( 0.7361524 -0.2742247 -0.6984716), wk = 0.0032573 k( 94) = ( 0.7299379 -0.2634778 -0.6779546), wk = 0.0032573 k( 95) = ( 0.7237234 -0.2527308 -0.6574375), wk = 0.0032573 k( 96) = ( 0.7175088 -0.2419839 -0.6369205), wk = 0.0032573 k( 97) = ( 0.7112943 -0.2312370 -0.6164035), wk = 0.0032573 k( 98) = ( 0.7050798 -0.2204901 -0.5958864), wk = 0.0032573 k( 99) = ( 0.6988652 -0.2097432 -0.5753694), wk = 0.0032573 k( 100) = ( 0.6926507 -0.1989963 -0.5548524), wk = 0.0032573 k( 101) = ( 0.6864361 -0.1882494 -0.5343353), wk = 0.0032573 k( 102) = ( 0.6802216 -0.1775025 -0.5138183), wk = 0.0032573 k( 103) = ( 0.6740071 -0.1667556 -0.4933013), wk = 0.0032573 k( 104) = ( 0.6677925 -0.1560087 -0.4727842), wk = 0.0032573 k( 105) = ( 0.6615780 -0.1452618 -0.4522672), wk = 0.0032573 k( 106) = ( 0.6553634 -0.1345148 -0.4317502), wk = 0.0032573 k( 107) = ( 0.6491489 -0.1237679 -0.4112331), wk = 0.0032573 k( 108) = ( 0.6429344 -0.1130210 -0.3907161), wk = 0.0032573 k( 109) = ( 0.6367198 -0.1022741 -0.3701990), wk = 0.0032573 k( 110) = ( 0.6305053 -0.0915272 -0.3496820), wk = 0.0032573 k( 111) = ( 0.6242908 -0.0807803 -0.3291650), wk = 0.0032573 k( 112) = ( 0.6180762 -0.0700334 -0.3086479), wk = 0.0032573 k( 113) = ( 0.6118617 -0.0592865 -0.2881309), wk = 0.0032573 k( 114) = ( 0.6056471 -0.0485395 -0.2676138), wk = 0.0032573 k( 115) = ( 0.5994326 -0.0377927 -0.2470968), wk = 0.0032573 k( 116) = ( 0.5932181 -0.0270457 -0.2265798), wk = 0.0032573 k( 117) = ( 0.5870035 -0.0162988 -0.2060628), wk = 0.0032573 k( 118) = ( 0.5807890 -0.0055519 -0.1855457), wk = 0.0032573 k( 119) = ( 0.5745744 0.0051950 -0.1650287), wk = 0.0032573 k( 120) = ( 0.5683599 0.0159419 -0.1445117), wk = 0.0032573 k( 121) = ( 0.5621454 0.0266888 -0.1239946), wk = 0.0032573 k( 122) = ( 0.5559308 0.0374357 -0.1034776), wk = 0.0032573 k( 123) = ( 0.5497163 0.0481826 -0.0829605), wk = 0.0032573 k( 124) = ( 0.5435018 0.0589295 -0.0624435), wk = 0.0032573 k( 125) = ( 0.5372872 0.0696765 -0.0419265), wk = 0.0032573 k( 126) = ( 0.5310727 0.0804234 -0.0214094), wk = 0.0032573 k( 127) = ( 0.5248582 0.0911703 -0.0008924), wk = 0.0032573 k( 128) = ( 0.5186436 0.1019172 0.0196247), wk = 0.0032573 k( 129) = ( 0.5124291 0.1126641 0.0401417), wk = 0.0032573 k( 130) = ( 0.5062145 0.1234110 0.0606587), wk = 0.0032573 k( 131) = ( 0.5000000 0.1341579 0.0811758), wk = 0.0032573 k( 132) = ( 0.5000000 0.1341579 0.0811758), wk = 0.0032573 k( 133) = ( 0.4772727 0.1280598 0.0774859), wk = 0.0032573 k( 134) = ( 0.4545455 0.1219617 0.0737961), wk = 0.0032573 k( 135) = ( 0.4318182 0.1158637 0.0701063), wk = 0.0032573 k( 136) = ( 0.4090909 0.1097656 0.0664165), wk = 0.0032573 k( 137) = ( 0.3863636 0.1036675 0.0627267), wk = 0.0032573 k( 138) = ( 0.3636364 0.0975694 0.0590369), wk = 0.0032573 k( 139) = ( 0.3409091 0.0914713 0.0553471), wk = 0.0032573 k( 140) = ( 0.3181818 0.0853732 0.0516573), wk = 0.0032573 k( 141) = ( 0.2954545 0.0792751 0.0479675), wk = 0.0032573 k( 142) = ( 0.2727273 0.0731770 0.0442777), wk = 0.0032573 k( 143) = ( 0.2500000 0.0670790 0.0405879), wk = 0.0032573 k( 144) = ( 0.2272727 0.0609809 0.0368981), wk = 0.0032573 k( 145) = ( 0.2045454 0.0548828 0.0332083), wk = 0.0032573 k( 146) = ( 0.1818182 0.0487847 0.0295185), wk = 0.0032573 k( 147) = ( 0.1590909 0.0426866 0.0258286), wk = 0.0032573 k( 148) = ( 0.1363636 0.0365885 0.0221388), wk = 0.0032573 k( 149) = ( 0.1136364 0.0304904 0.0184490), wk = 0.0032573 k( 150) = ( 0.0909091 0.0243923 0.0147592), wk = 0.0032573 k( 151) = ( 0.0681818 0.0182943 0.0110694), wk = 0.0032573 k( 152) = ( 0.0454546 0.0121962 0.0073796), wk = 0.0032573 k( 153) = ( 0.0227273 0.0060981 0.0036898), wk = 0.0032573 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 156) = ( 0.0062096 -0.0107384 -0.0205008), wk = 0.0032573 k( 157) = ( 0.0124192 -0.0214768 -0.0410016), wk = 0.0032573 k( 158) = ( 0.0186289 -0.0322152 -0.0615024), wk = 0.0032573 k( 159) = ( 0.0248385 -0.0429536 -0.0820032), wk = 0.0032573 k( 160) = ( 0.0310481 -0.0536921 -0.1025041), wk = 0.0032573 k( 161) = ( 0.0372577 -0.0644305 -0.1230049), wk = 0.0032573 k( 162) = ( 0.0434674 -0.0751689 -0.1435057), wk = 0.0032573 k( 163) = ( 0.0496770 -0.0859073 -0.1640065), wk = 0.0032573 k( 164) = ( 0.0558866 -0.0966457 -0.1845073), wk = 0.0032573 k( 165) = ( 0.0620962 -0.1073841 -0.2050081), wk = 0.0032573 k( 166) = ( 0.0683059 -0.1181225 -0.2255089), wk = 0.0032573 k( 167) = ( 0.0745155 -0.1288609 -0.2460097), wk = 0.0032573 k( 168) = ( 0.0807251 -0.1395993 -0.2665105), wk = 0.0032573 k( 169) = ( 0.0869347 -0.1503378 -0.2870114), wk = 0.0032573 k( 170) = ( 0.0931444 -0.1610762 -0.3075122), wk = 0.0032573 k( 171) = ( 0.0993540 -0.1718146 -0.3280130), wk = 0.0032573 k( 172) = ( 0.1055636 -0.1825530 -0.3485138), wk = 0.0032573 k( 173) = ( 0.1117732 -0.1932914 -0.3690146), wk = 0.0032573 k( 174) = ( 0.1179828 -0.2040298 -0.3895154), wk = 0.0032573 k( 175) = ( 0.1241925 -0.2147682 -0.4100162), wk = 0.0032573 k( 176) = ( 0.1304021 -0.2255066 -0.4305170), wk = 0.0032573 k( 177) = ( 0.1366117 -0.2362450 -0.4510178), wk = 0.0032573 k( 178) = ( 0.1428213 -0.2469835 -0.4715187), wk = 0.0032573 k( 179) = ( 0.1490310 -0.2577219 -0.4920195), wk = 0.0032573 k( 180) = ( 0.1552406 -0.2684603 -0.5125203), wk = 0.0032573 k( 181) = ( 0.1614502 -0.2791987 -0.5330211), wk = 0.0032573 k( 182) = ( 0.1676598 -0.2899371 -0.5535219), wk = 0.0032573 k( 183) = ( 0.1738695 -0.3006755 -0.5740227), wk = 0.0032573 k( 184) = ( 0.1800791 -0.3114139 -0.5945235), wk = 0.0032573 k( 185) = ( 0.1862887 -0.3221523 -0.6150243), wk = 0.0032573 k( 186) = ( 0.1924983 -0.3328907 -0.6355251), wk = 0.0032573 k( 187) = ( 0.1987079 -0.3436292 -0.6560260), wk = 0.0032573 k( 188) = ( 0.2049176 -0.3543676 -0.6765268), wk = 0.0032573 k( 189) = ( 0.2111272 -0.3651060 -0.6970276), wk = 0.0032573 k( 190) = ( 0.2173368 -0.3758444 -0.7175284), wk = 0.0032573 k( 191) = ( 0.2235464 -0.3865828 -0.7380292), wk = 0.0032573 k( 192) = ( 0.2297561 -0.3973212 -0.7585300), wk = 0.0032573 k( 193) = ( 0.2359657 -0.4080596 -0.7790308), wk = 0.0032573 k( 194) = ( 0.2421753 -0.4187980 -0.7995316), wk = 0.0032573 k( 195) = ( 0.2483849 -0.4295364 -0.8200324), wk = 0.0032573 k( 196) = ( 0.2545946 -0.4402749 -0.8405333), wk = 0.0032573 k( 197) = ( 0.2608042 -0.4510133 -0.8610341), wk = 0.0032573 k( 198) = ( 0.2670138 -0.4617517 -0.8815349), wk = 0.0032573 k( 199) = ( 0.2732234 -0.4724901 -0.9020357), wk = 0.0032573 k( 200) = ( 0.2794331 -0.4832285 -0.9225365), wk = 0.0032573 k( 201) = ( 0.2856427 -0.4939669 -0.9430373), wk = 0.0032573 k( 202) = ( 0.2918523 -0.5047053 -0.9635381), wk = 0.0032573 k( 203) = ( 0.2980619 -0.5154437 -0.9840389), wk = 0.0032573 k( 204) = ( 0.3042715 -0.5261821 -1.0045397), wk = 0.0032573 k( 205) = ( 0.3104812 -0.5369206 -1.0250406), wk = 0.0032573 k( 206) = ( 0.3166908 -0.5476590 -1.0455414), wk = 0.0032573 k( 207) = ( 0.3229004 -0.5583974 -1.0660422), wk = 0.0032573 k( 208) = ( 0.3291100 -0.5691358 -1.0865430), wk = 0.0032573 k( 209) = ( 0.3353197 -0.5798742 -1.1070438), wk = 0.0032573 k( 210) = ( 0.3415293 -0.5906126 -1.1275446), wk = 0.0032573 k( 211) = ( 0.6584707 -0.4564547 -1.0463689), wk = 0.0032573 k( 212) = ( 0.6523757 -0.4337388 -1.0463689), wk = 0.0032573 k( 213) = ( 0.6462807 -0.4110230 -1.0463689), wk = 0.0032573 k( 214) = ( 0.6401856 -0.3883071 -1.0463689), wk = 0.0032573 k( 215) = ( 0.6340906 -0.3655912 -1.0463689), wk = 0.0032573 k( 216) = ( 0.6279956 -0.3428754 -1.0463689), wk = 0.0032573 k( 217) = ( 0.6219005 -0.3201595 -1.0463689), wk = 0.0032573 k( 218) = ( 0.6158055 -0.2974436 -1.0463689), wk = 0.0032573 k( 219) = ( 0.6097105 -0.2747278 -1.0463689), wk = 0.0032573 k( 220) = ( 0.6036155 -0.2520119 -1.0463689), wk = 0.0032573 k( 221) = ( 0.5975204 -0.2292960 -1.0463689), wk = 0.0032573 k( 222) = ( 0.5914254 -0.2065801 -1.0463689), wk = 0.0032573 k( 223) = ( 0.5853304 -0.1838643 -1.0463689), wk = 0.0032573 k( 224) = ( 0.5792354 -0.1611484 -1.0463689), wk = 0.0032573 k( 225) = ( 0.5731403 -0.1384325 -1.0463689), wk = 0.0032573 k( 226) = ( 0.5670453 -0.1157166 -1.0463689), wk = 0.0032573 k( 227) = ( 0.5609503 -0.0930008 -1.0463689), wk = 0.0032573 k( 228) = ( 0.5548553 -0.0702849 -1.0463689), wk = 0.0032573 k( 229) = ( 0.5487602 -0.0475690 -1.0463689), wk = 0.0032573 k( 230) = ( 0.5426652 -0.0248532 -1.0463689), wk = 0.0032573 k( 231) = ( 0.5365702 -0.0021373 -1.0463689), wk = 0.0032573 k( 232) = ( 0.5304751 0.0205786 -1.0463689), wk = 0.0032573 k( 233) = ( 0.5243801 0.0432944 -1.0463689), wk = 0.0032573 k( 234) = ( 0.5182851 0.0660103 -1.0463689), wk = 0.0032573 k( 235) = ( 0.5121901 0.0887262 -1.0463689), wk = 0.0032573 k( 236) = ( 0.5060950 0.1114420 -1.0463689), wk = 0.0032573 k( 237) = ( 0.5000000 0.1341579 -1.0463689), wk = 0.0032573 k( 238) = ( 0.5000000 0.1341579 -1.0463689), wk = 0.0032573 k( 239) = ( 0.5198088 0.1394729 -1.0362219), wk = 0.0032573 k( 240) = ( 0.5396177 0.1447880 -1.0260749), wk = 0.0032573 k( 241) = ( 0.5594265 0.1501030 -1.0159280), wk = 0.0032573 k( 242) = ( 0.5792354 0.1554180 -1.0057810), wk = 0.0032573 k( 243) = ( 0.5990442 0.1607330 -0.9956340), wk = 0.0032573 k( 244) = ( 0.6188530 0.1660481 -0.9854871), wk = 0.0032573 k( 245) = ( 0.6386619 0.1713631 -0.9753401), wk = 0.0032573 k( 246) = ( 0.6584707 0.1766781 -0.9651931), wk = 0.0032573 k( 247) = ( 0.6584707 0.1766781 -0.9651931), wk = 0.0032573 k( 248) = ( 0.6548691 0.1757118 -0.9414120), wk = 0.0032573 k( 249) = ( 0.6512675 0.1747454 -0.9176309), wk = 0.0032573 k( 250) = ( 0.6476659 0.1737790 -0.8938498), wk = 0.0032573 k( 251) = ( 0.6440643 0.1728126 -0.8700687), wk = 0.0032573 k( 252) = ( 0.6404627 0.1718463 -0.8462875), wk = 0.0032573 k( 253) = ( 0.6368611 0.1708799 -0.8225064), wk = 0.0032573 k( 254) = ( 0.6332595 0.1699135 -0.7987253), wk = 0.0032573 k( 255) = ( 0.6296579 0.1689472 -0.7749442), wk = 0.0032573 k( 256) = ( 0.6260562 0.1679808 -0.7511631), wk = 0.0032573 k( 257) = ( 0.6224546 0.1670144 -0.7273820), wk = 0.0032573 k( 258) = ( 0.6188530 0.1660481 -0.7036009), wk = 0.0032573 k( 259) = ( 0.6152514 0.1650817 -0.6798198), wk = 0.0032573 k( 260) = ( 0.6116498 0.1641153 -0.6560387), wk = 0.0032573 k( 261) = ( 0.6080482 0.1631490 -0.6322576), wk = 0.0032573 k( 262) = ( 0.6044466 0.1621826 -0.6084765), wk = 0.0032573 k( 263) = ( 0.6008450 0.1612162 -0.5846953), wk = 0.0032573 k( 264) = ( 0.5972434 0.1602499 -0.5609142), wk = 0.0032573 k( 265) = ( 0.5936418 0.1592835 -0.5371331), wk = 0.0032573 k( 266) = ( 0.5900402 0.1583171 -0.5133520), wk = 0.0032573 k( 267) = ( 0.5864386 0.1573508 -0.4895709), wk = 0.0032573 k( 268) = ( 0.5828370 0.1563844 -0.4657898), wk = 0.0032573 k( 269) = ( 0.5792354 0.1554180 -0.4420087), wk = 0.0032573 k( 270) = ( 0.5756338 0.1544516 -0.4182276), wk = 0.0032573 k( 271) = ( 0.5720321 0.1534853 -0.3944464), wk = 0.0032573 k( 272) = ( 0.5684305 0.1525189 -0.3706653), wk = 0.0032573 k( 273) = ( 0.5648289 0.1515525 -0.3468842), wk = 0.0032573 k( 274) = ( 0.5612273 0.1505862 -0.3231031), wk = 0.0032573 k( 275) = ( 0.5576257 0.1496198 -0.2993220), wk = 0.0032573 k( 276) = ( 0.5540241 0.1486534 -0.2755409), wk = 0.0032573 k( 277) = ( 0.5504225 0.1476871 -0.2517598), wk = 0.0032573 k( 278) = ( 0.5468209 0.1467207 -0.2279787), wk = 0.0032573 k( 279) = ( 0.5432193 0.1457543 -0.2041976), wk = 0.0032573 k( 280) = ( 0.5396177 0.1447880 -0.1804165), wk = 0.0032573 k( 281) = ( 0.5360161 0.1438216 -0.1566353), wk = 0.0032573 k( 282) = ( 0.5324145 0.1428552 -0.1328542), wk = 0.0032573 k( 283) = ( 0.5288129 0.1418889 -0.1090731), wk = 0.0032573 k( 284) = ( 0.5252113 0.1409225 -0.0852920), wk = 0.0032573 k( 285) = ( 0.5216096 0.1399561 -0.0615109), wk = 0.0032573 k( 286) = ( 0.5180080 0.1389898 -0.0377298), wk = 0.0032573 k( 287) = ( 0.5144064 0.1380234 -0.0139487), wk = 0.0032573 k( 288) = ( 0.5108048 0.1370570 0.0098324), wk = 0.0032573 k( 289) = ( 0.5072032 0.1360907 0.0336135), wk = 0.0032573 k( 290) = ( 0.5036016 0.1351243 0.0573946), wk = 0.0032573 k( 291) = ( 0.5000000 0.1341579 0.0811758), wk = 0.0032573 k( 292) = ( 0.5000000 -0.8646588 -0.5231844), wk = 0.0032573 k( 293) = ( 0.5211294 -0.8557150 -0.5177727), wk = 0.0032573 k( 294) = ( 0.5422589 -0.8467711 -0.5123610), wk = 0.0032573 k( 295) = ( 0.5633883 -0.8378272 -0.5069493), wk = 0.0032573 k( 296) = ( 0.5845177 -0.8288834 -0.5015376), wk = 0.0032573 k( 297) = ( 0.6056471 -0.8199395 -0.4961258), wk = 0.0032573 k( 298) = ( 0.6267766 -0.8109957 -0.4907141), wk = 0.0032573 k( 299) = ( 0.6479060 -0.8020518 -0.4853024), wk = 0.0032573 k( 300) = ( 0.6690354 -0.7931079 -0.4798907), wk = 0.0032573 k( 301) = ( 0.6901649 -0.7841641 -0.4744790), wk = 0.0032573 k( 302) = ( 0.7112943 -0.7752202 -0.4690673), wk = 0.0032573 k( 303) = ( 0.7324237 -0.7662764 -0.4636555), wk = 0.0032573 k( 304) = ( 0.7535532 -0.7573325 -0.4582438), wk = 0.0032573 k( 305) = ( 0.7746826 -0.7483886 -0.4528321), wk = 0.0032573 k( 306) = ( 0.7958120 -0.7394448 -0.4474204), wk = 0.0032573 k( 307) = ( 0.8169414 -0.7305009 -0.4420087), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0106383 -0.0000000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0212766 -0.0000000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0319149 -0.0000000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0425532 -0.0000000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0531915 -0.0000000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0638298 -0.0000000 0.0000000), wk = 0.0032573 k( 8) = ( 0.0744681 -0.0000000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0851064 -0.0000000 0.0000000), wk = 0.0032573 k( 10) = ( 0.0957447 -0.0000000 0.0000000), wk = 0.0032573 k( 11) = ( 0.1063830 -0.0000000 0.0000000), wk = 0.0032573 k( 12) = ( 0.1170213 -0.0000000 -0.0000000), wk = 0.0032573 k( 13) = ( 0.1276596 -0.0000000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.1382979 -0.0000000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.1489362 -0.0000000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.1595745 -0.0000000 0.0000000), wk = 0.0032573 k( 17) = ( 0.1702128 -0.0000000 0.0000000), wk = 0.0032573 k( 18) = ( 0.1808511 -0.0000000 0.0000000), wk = 0.0032573 k( 19) = ( 0.1914894 -0.0000000 0.0000000), wk = 0.0032573 k( 20) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0032573 k( 21) = ( 0.2127660 -0.0000000 0.0000000), wk = 0.0032573 k( 22) = ( 0.2234043 -0.0000000 0.0000000), wk = 0.0032573 k( 23) = ( 0.2340425 0.0000000 0.0000000), wk = 0.0032573 k( 24) = ( 0.2446809 -0.0000000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.2553191 -0.0000000 0.0000000), wk = 0.0032573 k( 26) = ( 0.2659574 -0.0000000 0.0000000), wk = 0.0032573 k( 27) = ( 0.2765957 -0.0000000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.2872340 -0.0000000 0.0000000), wk = 0.0032573 k( 29) = ( 0.2978723 -0.0000000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0032573 k( 31) = ( 0.3191489 -0.0000000 0.0000000), wk = 0.0032573 k( 32) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.3404255 -0.0000000 0.0000000), wk = 0.0032573 k( 34) = ( 0.3510638 -0.0000000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.3617021 0.0000000 0.0000000), wk = 0.0032573 k( 36) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.3829787 -0.0000000 0.0000000), wk = 0.0032573 k( 38) = ( 0.3936170 -0.0000000 0.0000000), wk = 0.0032573 k( 39) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0032573 k( 40) = ( 0.4148936 -0.0000000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.4255319 0.0000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.4361702 -0.0000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.4574468 -0.0000000 0.0000000), wk = 0.0032573 k( 45) = ( 0.4680851 -0.0000000 0.0000000), wk = 0.0032573 k( 46) = ( 0.4787234 -0.0000000 0.0000000), wk = 0.0032573 k( 47) = ( 0.4893617 -0.0000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.5000000 0.0061019 -0.0061020), wk = 0.0032573 k( 51) = ( 0.5000000 0.0122039 -0.0122039), wk = 0.0032573 k( 52) = ( 0.5000000 0.0183059 -0.0183059), wk = 0.0032573 k( 53) = ( 0.5000000 0.0244078 -0.0244078), wk = 0.0032573 k( 54) = ( 0.5000000 0.0305098 -0.0305098), wk = 0.0032573 k( 55) = ( 0.5000000 0.0366117 -0.0366117), wk = 0.0032573 k( 56) = ( 0.5000000 0.0427137 -0.0427137), wk = 0.0032573 k( 57) = ( 0.5000000 0.0488156 -0.0488156), wk = 0.0032573 k( 58) = ( 0.5000000 0.0549176 -0.0549176), wk = 0.0032573 k( 59) = ( 0.5000000 0.0610195 -0.0610195), wk = 0.0032573 k( 60) = ( 0.5000000 0.0671215 -0.0671215), wk = 0.0032573 k( 61) = ( 0.5000000 0.0732234 -0.0732234), wk = 0.0032573 k( 62) = ( 0.5000000 0.0793254 -0.0793254), wk = 0.0032573 k( 63) = ( 0.5000000 0.0854273 -0.0854273), wk = 0.0032573 k( 64) = ( 0.5000000 0.0915293 -0.0915293), wk = 0.0032573 k( 65) = ( 0.5000000 0.0976312 -0.0976312), wk = 0.0032573 k( 66) = ( 0.5000000 0.1037332 -0.1037332), wk = 0.0032573 k( 67) = ( 0.5000000 0.1098351 -0.1098351), wk = 0.0032573 k( 68) = ( 0.5000000 0.1159371 -0.1159371), wk = 0.0032573 k( 69) = ( 0.5000000 0.1220390 -0.1220390), wk = 0.0032573 k( 70) = ( 0.5000000 0.1281410 -0.1281410), wk = 0.0032573 k( 71) = ( 0.5000000 0.1342429 -0.1342429), wk = 0.0032573 k( 72) = ( 0.5000000 0.1403449 -0.1403449), wk = 0.0032573 k( 73) = ( 0.5000000 0.1464468 -0.1464468), wk = 0.0032573 k( 74) = ( 0.5000000 0.1525488 -0.1525488), wk = 0.0032573 k( 75) = ( 0.5000000 0.1586508 -0.1586508), wk = 0.0032573 k( 76) = ( 0.5000000 0.1647527 -0.1647527), wk = 0.0032573 k( 77) = ( 0.5000000 0.1708547 -0.1708547), wk = 0.0032573 k( 78) = ( 0.5000000 0.1769566 -0.1769566), wk = 0.0032573 k( 79) = ( 0.5000000 0.1830586 -0.1830586), wk = 0.0032573 k( 80) = ( 0.8169414 0.5000000 0.1830586), wk = 0.0032573 k( 81) = ( 0.8107269 0.5000000 0.1892731), wk = 0.0032573 k( 82) = ( 0.8045124 0.5000000 0.1954876), wk = 0.0032573 k( 83) = ( 0.7982978 0.5000000 0.2017022), wk = 0.0032573 k( 84) = ( 0.7920833 0.5000000 0.2079167), wk = 0.0032573 k( 85) = ( 0.7858687 0.5000000 0.2141313), wk = 0.0032573 k( 86) = ( 0.7796542 0.5000000 0.2203458), wk = 0.0032573 k( 87) = ( 0.7734397 0.5000000 0.2265603), wk = 0.0032573 k( 88) = ( 0.7672251 0.5000000 0.2327749), wk = 0.0032573 k( 89) = ( 0.7610106 0.5000000 0.2389894), wk = 0.0032573 k( 90) = ( 0.7547961 0.5000000 0.2452040), wk = 0.0032573 k( 91) = ( 0.7485815 0.5000000 0.2514185), wk = 0.0032573 k( 92) = ( 0.7423670 0.5000000 0.2576330), wk = 0.0032573 k( 93) = ( 0.7361524 0.5000000 0.2638476), wk = 0.0032573 k( 94) = ( 0.7299379 0.5000000 0.2700621), wk = 0.0032573 k( 95) = ( 0.7237234 0.5000000 0.2762766), wk = 0.0032573 k( 96) = ( 0.7175088 0.5000000 0.2824912), wk = 0.0032573 k( 97) = ( 0.7112943 0.5000000 0.2887057), wk = 0.0032573 k( 98) = ( 0.7050798 0.5000000 0.2949202), wk = 0.0032573 k( 99) = ( 0.6988652 0.5000000 0.3011348), wk = 0.0032573 k( 100) = ( 0.6926507 0.5000000 0.3073493), wk = 0.0032573 k( 101) = ( 0.6864361 0.5000000 0.3135639), wk = 0.0032573 k( 102) = ( 0.6802216 0.5000000 0.3197784), wk = 0.0032573 k( 103) = ( 0.6740071 0.5000000 0.3259929), wk = 0.0032573 k( 104) = ( 0.6677925 0.5000000 0.3322075), wk = 0.0032573 k( 105) = ( 0.6615780 0.5000000 0.3384220), wk = 0.0032573 k( 106) = ( 0.6553634 0.5000000 0.3446365), wk = 0.0032573 k( 107) = ( 0.6491489 0.5000000 0.3508511), wk = 0.0032573 k( 108) = ( 0.6429344 0.5000000 0.3570656), wk = 0.0032573 k( 109) = ( 0.6367198 0.5000000 0.3632802), wk = 0.0032573 k( 110) = ( 0.6305053 0.5000000 0.3694947), wk = 0.0032573 k( 111) = ( 0.6242908 0.5000000 0.3757092), wk = 0.0032573 k( 112) = ( 0.6180762 0.5000000 0.3819238), wk = 0.0032573 k( 113) = ( 0.6118617 0.5000000 0.3881383), wk = 0.0032573 k( 114) = ( 0.6056471 0.5000000 0.3943529), wk = 0.0032573 k( 115) = ( 0.5994326 0.5000000 0.4005674), wk = 0.0032573 k( 116) = ( 0.5932181 0.5000000 0.4067819), wk = 0.0032573 k( 117) = ( 0.5870035 0.5000000 0.4129965), wk = 0.0032573 k( 118) = ( 0.5807890 0.5000000 0.4192110), wk = 0.0032573 k( 119) = ( 0.5745744 0.5000000 0.4254255), wk = 0.0032573 k( 120) = ( 0.5683599 0.5000000 0.4316401), wk = 0.0032573 k( 121) = ( 0.5621454 0.5000000 0.4378546), wk = 0.0032573 k( 122) = ( 0.5559308 0.5000000 0.4440692), wk = 0.0032573 k( 123) = ( 0.5497163 0.5000000 0.4502837), wk = 0.0032573 k( 124) = ( 0.5435018 0.5000000 0.4564982), wk = 0.0032573 k( 125) = ( 0.5372872 0.5000000 0.4627128), wk = 0.0032573 k( 126) = ( 0.5310727 0.5000000 0.4689273), wk = 0.0032573 k( 127) = ( 0.5248582 0.5000000 0.4751418), wk = 0.0032573 k( 128) = ( 0.5186436 0.5000000 0.4813564), wk = 0.0032573 k( 129) = ( 0.5124291 0.5000000 0.4875709), wk = 0.0032573 k( 130) = ( 0.5062145 0.5000000 0.4937855), wk = 0.0032573 k( 131) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 132) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 133) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0032573 k( 134) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0032573 k( 135) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0032573 k( 136) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0032573 k( 137) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0032573 k( 138) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0032573 k( 139) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0032573 k( 140) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0032573 k( 141) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0032573 k( 142) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0032573 k( 143) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032573 k( 144) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0032573 k( 145) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0032573 k( 146) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0032573 k( 147) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0032573 k( 148) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0032573 k( 149) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0032573 k( 150) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0032573 k( 151) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0032573 k( 152) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0032573 k( 153) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0032573 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 156) = ( 0.0062096 0.0000000 -0.0062096), wk = 0.0032573 k( 157) = ( 0.0124192 -0.0000000 -0.0124192), wk = 0.0032573 k( 158) = ( 0.0186289 -0.0000000 -0.0186289), wk = 0.0032573 k( 159) = ( 0.0248385 -0.0000000 -0.0248385), wk = 0.0032573 k( 160) = ( 0.0310481 -0.0000000 -0.0310481), wk = 0.0032573 k( 161) = ( 0.0372577 -0.0000000 -0.0372577), wk = 0.0032573 k( 162) = ( 0.0434674 -0.0000000 -0.0434674), wk = 0.0032573 k( 163) = ( 0.0496770 0.0000000 -0.0496770), wk = 0.0032573 k( 164) = ( 0.0558866 -0.0000000 -0.0558866), wk = 0.0032573 k( 165) = ( 0.0620962 -0.0000000 -0.0620962), wk = 0.0032573 k( 166) = ( 0.0683059 -0.0000000 -0.0683059), wk = 0.0032573 k( 167) = ( 0.0745155 -0.0000000 -0.0745155), wk = 0.0032573 k( 168) = ( 0.0807251 0.0000000 -0.0807251), wk = 0.0032573 k( 169) = ( 0.0869347 -0.0000000 -0.0869347), wk = 0.0032573 k( 170) = ( 0.0931444 -0.0000000 -0.0931444), wk = 0.0032573 k( 171) = ( 0.0993540 -0.0000000 -0.0993540), wk = 0.0032573 k( 172) = ( 0.1055636 -0.0000000 -0.1055636), wk = 0.0032573 k( 173) = ( 0.1117732 -0.0000000 -0.1117732), wk = 0.0032573 k( 174) = ( 0.1179828 -0.0000000 -0.1179828), wk = 0.0032573 k( 175) = ( 0.1241925 -0.0000000 -0.1241925), wk = 0.0032573 k( 176) = ( 0.1304021 0.0000000 -0.1304021), wk = 0.0032573 k( 177) = ( 0.1366117 -0.0000000 -0.1366117), wk = 0.0032573 k( 178) = ( 0.1428213 -0.0000000 -0.1428213), wk = 0.0032573 k( 179) = ( 0.1490310 -0.0000000 -0.1490310), wk = 0.0032573 k( 180) = ( 0.1552406 -0.0000000 -0.1552406), wk = 0.0032573 k( 181) = ( 0.1614502 -0.0000000 -0.1614502), wk = 0.0032573 k( 182) = ( 0.1676598 0.0000000 -0.1676598), wk = 0.0032573 k( 183) = ( 0.1738695 -0.0000000 -0.1738694), wk = 0.0032573 k( 184) = ( 0.1800791 -0.0000000 -0.1800791), wk = 0.0032573 k( 185) = ( 0.1862887 -0.0000000 -0.1862887), wk = 0.0032573 k( 186) = ( 0.1924983 0.0000000 -0.1924983), wk = 0.0032573 k( 187) = ( 0.1987079 -0.0000000 -0.1987079), wk = 0.0032573 k( 188) = ( 0.2049176 -0.0000000 -0.2049176), wk = 0.0032573 k( 189) = ( 0.2111272 -0.0000000 -0.2111272), wk = 0.0032573 k( 190) = ( 0.2173368 -0.0000000 -0.2173368), wk = 0.0032573 k( 191) = ( 0.2235464 -0.0000000 -0.2235464), wk = 0.0032573 k( 192) = ( 0.2297561 -0.0000000 -0.2297561), wk = 0.0032573 k( 193) = ( 0.2359657 0.0000000 -0.2359657), wk = 0.0032573 k( 194) = ( 0.2421753 -0.0000000 -0.2421753), wk = 0.0032573 k( 195) = ( 0.2483849 -0.0000000 -0.2483849), wk = 0.0032573 k( 196) = ( 0.2545946 -0.0000000 -0.2545946), wk = 0.0032573 k( 197) = ( 0.2608042 0.0000000 -0.2608042), wk = 0.0032573 k( 198) = ( 0.2670138 -0.0000000 -0.2670138), wk = 0.0032573 k( 199) = ( 0.2732234 -0.0000000 -0.2732234), wk = 0.0032573 k( 200) = ( 0.2794331 -0.0000000 -0.2794331), wk = 0.0032573 k( 201) = ( 0.2856427 0.0000000 -0.2856427), wk = 0.0032573 k( 202) = ( 0.2918523 -0.0000000 -0.2918523), wk = 0.0032573 k( 203) = ( 0.2980619 -0.0000000 -0.2980619), wk = 0.0032573 k( 204) = ( 0.3042715 -0.0000000 -0.3042715), wk = 0.0032573 k( 205) = ( 0.3104812 -0.0000000 -0.3104812), wk = 0.0032573 k( 206) = ( 0.3166908 0.0000000 -0.3166908), wk = 0.0032573 k( 207) = ( 0.3229004 -0.0000000 -0.3229004), wk = 0.0032573 k( 208) = ( 0.3291100 0.0000000 -0.3291100), wk = 0.0032573 k( 209) = ( 0.3353197 0.0000000 -0.3353197), wk = 0.0032573 k( 210) = ( 0.3415293 -0.0000000 -0.3415293), wk = 0.0032573 k( 211) = ( 0.6584707 0.3415293 0.0000000), wk = 0.0032573 k( 212) = ( 0.6523757 0.3476243 0.0000000), wk = 0.0032573 k( 213) = ( 0.6462807 0.3537193 0.0000000), wk = 0.0032573 k( 214) = ( 0.6401856 0.3598144 0.0000000), wk = 0.0032573 k( 215) = ( 0.6340906 0.3659094 -0.0000000), wk = 0.0032573 k( 216) = ( 0.6279956 0.3720044 0.0000000), wk = 0.0032573 k( 217) = ( 0.6219005 0.3780994 -0.0000000), wk = 0.0032573 k( 218) = ( 0.6158055 0.3841945 0.0000000), wk = 0.0032573 k( 219) = ( 0.6097105 0.3902895 0.0000000), wk = 0.0032573 k( 220) = ( 0.6036155 0.3963845 0.0000000), wk = 0.0032573 k( 221) = ( 0.5975204 0.4024796 0.0000000), wk = 0.0032573 k( 222) = ( 0.5914254 0.4085746 0.0000000), wk = 0.0032573 k( 223) = ( 0.5853304 0.4146696 -0.0000000), wk = 0.0032573 k( 224) = ( 0.5792354 0.4207646 -0.0000000), wk = 0.0032573 k( 225) = ( 0.5731403 0.4268597 -0.0000000), wk = 0.0032573 k( 226) = ( 0.5670453 0.4329547 0.0000000), wk = 0.0032573 k( 227) = ( 0.5609503 0.4390497 -0.0000000), wk = 0.0032573 k( 228) = ( 0.5548553 0.4451447 -0.0000000), wk = 0.0032573 k( 229) = ( 0.5487602 0.4512398 0.0000000), wk = 0.0032573 k( 230) = ( 0.5426652 0.4573348 0.0000000), wk = 0.0032573 k( 231) = ( 0.5365702 0.4634298 -0.0000000), wk = 0.0032573 k( 232) = ( 0.5304751 0.4695249 -0.0000000), wk = 0.0032573 k( 233) = ( 0.5243801 0.4756199 -0.0000000), wk = 0.0032573 k( 234) = ( 0.5182851 0.4817149 -0.0000000), wk = 0.0032573 k( 235) = ( 0.5121901 0.4878099 0.0000000), wk = 0.0032573 k( 236) = ( 0.5060950 0.4939050 0.0000000), wk = 0.0032573 k( 237) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 238) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 239) = ( 0.5198088 0.5198088 0.0228823), wk = 0.0032573 k( 240) = ( 0.5396177 0.5396177 0.0457646), wk = 0.0032573 k( 241) = ( 0.5594265 0.5594265 0.0686470), wk = 0.0032573 k( 242) = ( 0.5792354 0.5792354 0.0915293), wk = 0.0032573 k( 243) = ( 0.5990442 0.5990442 0.1144116), wk = 0.0032573 k( 244) = ( 0.6188530 0.6188530 0.1372939), wk = 0.0032573 k( 245) = ( 0.6386619 0.6386619 0.1601762), wk = 0.0032573 k( 246) = ( 0.6584707 0.6584707 0.1830586), wk = 0.0032573 k( 247) = ( 0.6584707 0.6584707 0.1830586), wk = 0.0032573 k( 248) = ( 0.6548691 0.6548691 0.1902618), wk = 0.0032573 k( 249) = ( 0.6512675 0.6512675 0.1974650), wk = 0.0032573 k( 250) = ( 0.6476659 0.6476659 0.2046682), wk = 0.0032573 k( 251) = ( 0.6440643 0.6440643 0.2118714), wk = 0.0032573 k( 252) = ( 0.6404627 0.6404627 0.2190746), wk = 0.0032573 k( 253) = ( 0.6368611 0.6368611 0.2262779), wk = 0.0032573 k( 254) = ( 0.6332595 0.6332595 0.2334811), wk = 0.0032573 k( 255) = ( 0.6296579 0.6296579 0.2406843), wk = 0.0032573 k( 256) = ( 0.6260562 0.6260562 0.2478875), wk = 0.0032573 k( 257) = ( 0.6224546 0.6224546 0.2550907), wk = 0.0032573 k( 258) = ( 0.6188530 0.6188530 0.2622939), wk = 0.0032573 k( 259) = ( 0.6152514 0.6152514 0.2694971), wk = 0.0032573 k( 260) = ( 0.6116498 0.6116498 0.2767003), wk = 0.0032573 k( 261) = ( 0.6080482 0.6080482 0.2839036), wk = 0.0032573 k( 262) = ( 0.6044466 0.6044466 0.2911068), wk = 0.0032573 k( 263) = ( 0.6008450 0.6008450 0.2983100), wk = 0.0032573 k( 264) = ( 0.5972434 0.5972434 0.3055132), wk = 0.0032573 k( 265) = ( 0.5936418 0.5936418 0.3127164), wk = 0.0032573 k( 266) = ( 0.5900402 0.5900402 0.3199196), wk = 0.0032573 k( 267) = ( 0.5864386 0.5864386 0.3271228), wk = 0.0032573 k( 268) = ( 0.5828370 0.5828370 0.3343261), wk = 0.0032573 k( 269) = ( 0.5792354 0.5792354 0.3415293), wk = 0.0032573 k( 270) = ( 0.5756338 0.5756337 0.3487325), wk = 0.0032573 k( 271) = ( 0.5720321 0.5720321 0.3559357), wk = 0.0032573 k( 272) = ( 0.5684305 0.5684305 0.3631389), wk = 0.0032573 k( 273) = ( 0.5648289 0.5648289 0.3703421), wk = 0.0032573 k( 274) = ( 0.5612273 0.5612273 0.3775454), wk = 0.0032573 k( 275) = ( 0.5576257 0.5576257 0.3847486), wk = 0.0032573 k( 276) = ( 0.5540241 0.5540241 0.3919518), wk = 0.0032573 k( 277) = ( 0.5504225 0.5504225 0.3991550), wk = 0.0032573 k( 278) = ( 0.5468209 0.5468209 0.4063582), wk = 0.0032573 k( 279) = ( 0.5432193 0.5432193 0.4135614), wk = 0.0032573 k( 280) = ( 0.5396177 0.5396177 0.4207646), wk = 0.0032573 k( 281) = ( 0.5360161 0.5360161 0.4279679), wk = 0.0032573 k( 282) = ( 0.5324145 0.5324145 0.4351711), wk = 0.0032573 k( 283) = ( 0.5288129 0.5288129 0.4423743), wk = 0.0032573 k( 284) = ( 0.5252113 0.5252113 0.4495775), wk = 0.0032573 k( 285) = ( 0.5216096 0.5216096 0.4567807), wk = 0.0032573 k( 286) = ( 0.5180080 0.5180080 0.4639839), wk = 0.0032573 k( 287) = ( 0.5144064 0.5144064 0.4711871), wk = 0.0032573 k( 288) = ( 0.5108048 0.5108048 0.4783904), wk = 0.0032573 k( 289) = ( 0.5072032 0.5072032 0.4855936), wk = 0.0032573 k( 290) = ( 0.5036016 0.5036016 0.4927968), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032573 k( 293) = ( 0.5211294 0.0227686 0.0227686), wk = 0.0032573 k( 294) = ( 0.5422589 0.0455372 0.0455372), wk = 0.0032573 k( 295) = ( 0.5633883 0.0683059 0.0683059), wk = 0.0032573 k( 296) = ( 0.5845177 0.0910745 0.0910745), wk = 0.0032573 k( 297) = ( 0.6056471 0.1138431 0.1138431), wk = 0.0032573 k( 298) = ( 0.6267766 0.1366117 0.1366117), wk = 0.0032573 k( 299) = ( 0.6479060 0.1593803 0.1593803), wk = 0.0032573 k( 300) = ( 0.6690354 0.1821489 0.1821489), wk = 0.0032573 k( 301) = ( 0.6901649 0.2049176 0.2049176), wk = 0.0032573 k( 302) = ( 0.7112943 0.2276862 0.2276862), wk = 0.0032573 k( 303) = ( 0.7324237 0.2504548 0.2504548), wk = 0.0032573 k( 304) = ( 0.7535532 0.2732234 0.2732234), wk = 0.0032573 k( 305) = ( 0.7746826 0.2959920 0.2959921), wk = 0.0032573 k( 306) = ( 0.7958120 0.3187607 0.3187607), wk = 0.0032573 k( 307) = ( 0.8169414 0.3415293 0.3415293), wk = 0.0032573 Dense grid: 34203 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 26867 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 206, 46) NL pseudopotentials 0.21 Mb ( 103, 136) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 952) G-vector shells 0.01 Mb ( 798) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 206, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.19 Mb ( 136, 2, 46) The potential is recalculated from file : ./TlS.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.3 secs Computing kpt #: 8 total cpu time spent up to now is 8.0 secs Computing kpt #: 9 total cpu time spent up to now is 8.6 secs Computing kpt #: 10 total cpu time spent up to now is 9.3 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.4 secs Computing kpt #: 13 total cpu time spent up to now is 11.0 secs Computing kpt #: 14 total cpu time spent up to now is 11.5 secs Computing kpt #: 15 total cpu time spent up to now is 12.0 secs Computing kpt #: 16 total cpu time spent up to now is 12.5 secs Computing kpt #: 17 total cpu time spent up to now is 13.1 secs Computing kpt #: 18 total cpu time spent up to now is 13.6 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.7 secs Computing kpt #: 21 total cpu time spent up to now is 15.2 secs Computing kpt #: 22 total cpu time spent up to now is 15.8 secs Computing kpt #: 23 total cpu time spent up to now is 16.3 secs Computing kpt #: 24 total cpu time spent up to now is 17.1 secs Computing kpt #: 25 total cpu time spent up to now is 18.0 secs Computing kpt #: 26 total cpu time spent up to now is 18.7 secs Computing kpt #: 27 total cpu time spent up to now is 19.4 secs Computing kpt #: 28 total cpu time spent up to now is 20.0 secs Computing kpt #: 29 total cpu time spent up to now is 20.5 secs Computing kpt #: 30 total cpu time spent up to now is 21.1 secs Computing kpt #: 31 total cpu time spent up to now is 21.7 secs Computing kpt #: 32 total cpu time spent up to now is 22.2 secs Computing kpt #: 33 total cpu time spent up to now is 22.7 secs Computing kpt #: 34 total cpu time spent up to now is 23.3 secs Computing kpt #: 35 total cpu time spent up to now is 23.8 secs Computing kpt #: 36 total cpu time spent up to now is 24.3 secs Computing kpt #: 37 total cpu time spent up to now is 24.9 secs Computing kpt #: 38 total cpu time spent up to now is 25.4 secs Computing kpt #: 39 total cpu time spent up to now is 25.9 secs Computing kpt #: 40 total cpu time spent up to now is 26.5 secs Computing kpt #: 41 total cpu time spent up to now is 27.0 secs Computing kpt #: 42 total cpu time spent up to now is 27.5 secs Computing kpt #: 43 total cpu time spent up to now is 28.0 secs Computing kpt #: 44 total cpu time spent up to now is 28.5 secs Computing kpt #: 45 total cpu time spent up to now is 29.1 secs Computing kpt #: 46 total cpu time spent up to now is 29.6 secs Computing kpt #: 47 total cpu time spent up to now is 30.1 secs Computing kpt #: 48 total cpu time spent up to now is 30.6 secs Computing kpt #: 49 total cpu time spent up to now is 31.1 secs Computing kpt #: 50 total cpu time spent up to now is 31.6 secs Computing kpt #: 51 total cpu time spent up to now is 32.2 secs Computing kpt #: 52 total cpu time spent up to now is 32.7 secs Computing kpt #: 53 total cpu time spent up to now is 33.2 secs Computing kpt #: 54 total cpu time spent up to now is 33.7 secs Computing kpt #: 55 total cpu time spent up to now is 34.3 secs Computing kpt #: 56 total cpu time spent up to now is 34.8 secs Computing kpt #: 57 total cpu time spent up to now is 35.3 secs Computing kpt #: 58 total cpu time spent up to now is 36.1 secs Computing kpt #: 59 total cpu time spent up to now is 36.7 secs Computing kpt #: 60 total cpu time spent up to now is 37.2 secs Computing kpt #: 61 total cpu time spent up to now is 37.8 secs Computing kpt #: 62 total cpu time spent up to now is 38.3 secs Computing kpt #: 63 total cpu time spent up to now is 38.8 secs Computing kpt #: 64 total cpu time spent up to now is 39.3 secs Computing kpt #: 65 total cpu time spent up to now is 39.8 secs Computing kpt #: 66 total cpu time spent up to now is 40.3 secs Computing kpt #: 67 total cpu time spent up to now is 40.8 secs Computing kpt #: 68 total cpu time spent up to now is 41.3 secs Computing kpt #: 69 total cpu time spent up to now is 41.8 secs Computing kpt #: 70 total cpu time spent up to now is 42.3 secs Computing kpt #: 71 total cpu time spent up to now is 42.8 secs Computing kpt #: 72 total cpu time spent up to now is 43.3 secs Computing kpt #: 73 total cpu time spent up to now is 43.8 secs Computing kpt #: 74 total cpu time spent up to now is 44.3 secs Computing kpt #: 75 total cpu time spent up to now is 44.8 secs Computing kpt #: 76 total cpu time spent up to now is 45.3 secs Computing kpt #: 77 total cpu time spent up to now is 45.8 secs Computing kpt #: 78 total cpu time spent up to now is 46.3 secs Computing kpt #: 79 total cpu time spent up to now is 46.8 secs Computing kpt #: 80 total cpu time spent up to now is 47.3 secs Computing kpt #: 81 total cpu time spent up to now is 47.8 secs Computing kpt #: 82 total cpu time spent up to now is 48.3 secs Computing kpt #: 83 total cpu time spent up to now is 48.8 secs Computing kpt #: 84 total cpu time spent up to now is 49.3 secs Computing kpt #: 85 total cpu time spent up to now is 49.8 secs Computing kpt #: 86 total cpu time spent up to now is 50.3 secs Computing kpt #: 87 total cpu time spent up to now is 50.9 secs Computing kpt #: 88 total cpu time spent up to now is 51.4 secs Computing kpt #: 89 total cpu time spent up to now is 51.9 secs Computing kpt #: 90 total cpu time spent up to now is 52.6 secs Computing kpt #: 91 total cpu time spent up to now is 53.2 secs Computing kpt #: 92 total cpu time spent up to now is 53.8 secs Computing kpt #: 93 total cpu time spent up to now is 54.4 secs Computing kpt #: 94 total cpu time spent up to now is 54.9 secs Computing kpt #: 95 total cpu time spent up to now is 55.4 secs Computing kpt #: 96 total cpu time spent up to now is 56.0 secs Computing kpt #: 97 total cpu time spent up to now is 56.5 secs Computing kpt #: 98 total cpu time spent up to now is 57.1 secs Computing kpt #: 99 total cpu time spent up to now is 57.6 secs Computing kpt #: 100 total cpu time spent up to now is 58.2 secs Computing kpt #: 101 total cpu time spent up to now is 58.7 secs Computing kpt #: 102 total cpu time spent up to now is 59.3 secs Computing kpt #: 103 total cpu time spent up to now is 59.8 secs Computing kpt #: 104 total cpu time spent up to now is 60.3 secs Computing kpt #: 105 total cpu time spent up to now is 60.9 secs Computing kpt #: 106 total cpu time spent up to now is 61.4 secs Computing kpt #: 107 total cpu time spent up to now is 62.0 secs Computing kpt #: 108 total cpu time spent up to now is 62.5 secs Computing kpt #: 109 total cpu time spent up to now is 63.0 secs Computing kpt #: 110 total cpu time spent up to now is 63.5 secs Computing kpt #: 111 total cpu time spent up to now is 64.1 secs Computing kpt #: 112 total cpu time spent up to now is 64.6 secs Computing kpt #: 113 total cpu time spent up to now is 65.1 secs Computing kpt #: 114 total cpu time spent up to now is 65.6 secs Computing kpt #: 115 total cpu time spent up to now is 66.2 secs Computing kpt #: 116 total cpu time spent up to now is 66.7 secs Computing kpt #: 117 total cpu time spent up to now is 67.2 secs Computing kpt #: 118 total cpu time spent up to now is 67.7 secs Computing kpt #: 119 total cpu time spent up to now is 68.3 secs Computing kpt #: 120 total cpu time spent up to now is 68.8 secs Computing kpt #: 121 total cpu time spent up to now is 69.3 secs Computing kpt #: 122 total cpu time spent up to now is 69.9 secs Computing kpt #: 123 total cpu time spent up to now is 70.4 secs Computing kpt #: 124 total cpu time spent up to now is 71.2 secs Computing kpt #: 125 total cpu time spent up to now is 71.8 secs Computing kpt #: 126 total cpu time spent up to now is 72.3 secs Computing kpt #: 127 total cpu time spent up to now is 72.9 secs Computing kpt #: 128 total cpu time spent up to now is 73.4 secs Computing kpt #: 129 total cpu time spent up to now is 73.9 secs Computing kpt #: 130 total cpu time spent up to now is 74.5 secs Computing kpt #: 131 total cpu time spent up to now is 75.0 secs Computing kpt #: 132 total cpu time spent up to now is 75.5 secs Computing kpt #: 133 total cpu time spent up to now is 76.0 secs Computing kpt #: 134 total cpu time spent up to now is 76.5 secs Computing kpt #: 135 total cpu time spent up to now is 77.1 secs Computing kpt #: 136 total cpu time spent up to now is 77.6 secs Computing kpt #: 137 total cpu time spent up to now is 78.1 secs Computing kpt #: 138 total cpu time spent up to now is 78.6 secs Computing kpt #: 139 total cpu time spent up to now is 79.1 secs Computing kpt #: 140 total cpu time spent up to now is 79.6 secs Computing kpt #: 141 total cpu time spent up to now is 80.1 secs Computing kpt #: 142 total cpu time spent up to now is 80.6 secs Computing kpt #: 143 total cpu time spent up to now is 81.1 secs Computing kpt #: 144 total cpu time spent up to now is 81.8 secs Computing kpt #: 145 total cpu time spent up to now is 82.5 secs Computing kpt #: 146 total cpu time spent up to now is 83.1 secs Computing kpt #: 147 total cpu time spent up to now is 83.7 secs Computing kpt #: 148 total cpu time spent up to now is 84.4 secs Computing kpt #: 149 total cpu time spent up to now is 85.0 secs Computing kpt #: 150 total cpu time spent up to now is 85.6 secs Computing kpt #: 151 total cpu time spent up to now is 86.5 secs Computing kpt #: 152 total cpu time spent up to now is 87.1 secs Computing kpt #: 153 total cpu time spent up to now is 87.8 secs Computing kpt #: 154 total cpu time spent up to now is 88.4 secs Computing kpt #: 155 total cpu time spent up to now is 89.0 secs Computing kpt #: 156 total cpu time spent up to now is 89.6 secs Computing kpt #: 157 total cpu time spent up to now is 90.2 secs Computing kpt #: 158 total cpu time spent up to now is 90.8 secs Computing kpt #: 159 total cpu time spent up to now is 91.5 secs Computing kpt #: 160 total cpu time spent up to now is 92.1 secs Computing kpt #: 161 total cpu time spent up to now is 92.7 secs Computing kpt #: 162 total cpu time spent up to now is 93.3 secs Computing kpt #: 163 total cpu time spent up to now is 94.0 secs Computing kpt #: 164 total cpu time spent up to now is 94.6 secs Computing kpt #: 165 total cpu time spent up to now is 95.3 secs Computing kpt #: 166 total cpu time spent up to now is 95.8 secs Computing kpt #: 167 total cpu time spent up to now is 96.4 secs Computing kpt #: 168 total cpu time spent up to now is 96.9 secs Computing kpt #: 169 total cpu time spent up to now is 97.4 secs Computing kpt #: 170 total cpu time spent up to now is 97.9 secs Computing kpt #: 171 total cpu time spent up to now is 98.5 secs Computing kpt #: 172 total cpu time spent up to now is 99.0 secs Computing kpt #: 173 total cpu time spent up to now is 99.5 secs Computing kpt #: 174 total cpu time spent up to now is 100.1 secs Computing kpt #: 175 total cpu time spent up to now is 100.6 secs Computing kpt #: 176 total cpu time spent up to now is 101.3 secs Computing kpt #: 177 total cpu time spent up to now is 101.8 secs Computing kpt #: 178 total cpu time spent up to now is 102.3 secs Computing kpt #: 179 total cpu time spent up to now is 102.9 secs Computing kpt #: 180 total cpu time spent up to now is 103.4 secs Computing kpt #: 181 total cpu time spent up to now is 103.9 secs Computing kpt #: 182 total cpu time spent up to now is 104.4 secs Computing kpt #: 183 total cpu time spent up to now is 104.9 secs Computing kpt #: 184 total cpu time spent up to now is 105.4 secs Computing kpt #: 185 total cpu time spent up to now is 105.9 secs Computing kpt #: 186 total cpu time spent up to now is 106.5 secs Computing kpt #: 187 total cpu time spent up to now is 107.0 secs Computing kpt #: 188 total cpu time spent up to now is 107.5 secs Computing kpt #: 189 total cpu time spent up to now is 107.9 secs Computing kpt #: 190 total cpu time spent up to now is 108.4 secs Computing kpt #: 191 total cpu time spent up to now is 108.9 secs Computing kpt #: 192 total cpu time spent up to now is 109.4 secs Computing kpt #: 193 total cpu time spent up to now is 109.9 secs Computing kpt #: 194 total cpu time spent up to now is 110.4 secs Computing kpt #: 195 total cpu time spent up to now is 110.9 secs Computing kpt #: 196 total cpu time spent up to now is 111.4 secs Computing kpt #: 197 total cpu time spent up to now is 111.9 secs Computing kpt #: 198 total cpu time spent up to now is 112.4 secs Computing kpt #: 199 total cpu time spent up to now is 112.9 secs Computing kpt #: 200 total cpu time spent up to now is 113.4 secs Computing kpt #: 201 total cpu time spent up to now is 113.9 secs Computing kpt #: 202 total cpu time spent up to now is 114.4 secs Computing kpt #: 203 total cpu time spent up to now is 114.8 secs Computing kpt #: 204 total cpu time spent up to now is 115.3 secs Computing kpt #: 205 total cpu time spent up to now is 115.8 secs Computing kpt #: 206 total cpu time spent up to now is 116.3 secs Computing kpt #: 207 total cpu time spent up to now is 116.8 secs Computing kpt #: 208 total cpu time spent up to now is 117.3 secs Computing kpt #: 209 total cpu time spent up to now is 117.8 secs Computing kpt #: 210 total cpu time spent up to now is 118.3 secs Computing kpt #: 211 total cpu time spent up to now is 118.8 secs Computing kpt #: 212 total cpu time spent up to now is 119.3 secs Computing kpt #: 213 total cpu time spent up to now is 119.8 secs Computing kpt #: 214 total cpu time spent up to now is 120.3 secs Computing kpt #: 215 total cpu time spent up to now is 120.9 secs Computing kpt #: 216 total cpu time spent up to now is 121.4 secs Computing kpt #: 217 total cpu time spent up to now is 121.9 secs Computing kpt #: 218 total cpu time spent up to now is 122.4 secs Computing kpt #: 219 total cpu time spent up to now is 122.9 secs Computing kpt #: 220 total cpu time spent up to now is 123.4 secs Computing kpt #: 221 total cpu time spent up to now is 123.9 secs Computing kpt #: 222 total cpu time spent up to now is 124.5 secs Computing kpt #: 223 total cpu time spent up to now is 125.0 secs Computing kpt #: 224 total cpu time spent up to now is 125.5 secs Computing kpt #: 225 total cpu time spent up to now is 126.0 secs Computing kpt #: 226 total cpu time spent up to now is 126.5 secs Computing kpt #: 227 total cpu time spent up to now is 127.0 secs Computing kpt #: 228 total cpu time spent up to now is 127.5 secs Computing kpt #: 229 total cpu time spent up to now is 127.9 secs Computing kpt #: 230 total cpu time spent up to now is 128.4 secs Computing kpt #: 231 total cpu time spent up to now is 128.9 secs Computing kpt #: 232 total cpu time spent up to now is 129.4 secs Computing kpt #: 233 total cpu time spent up to now is 129.9 secs Computing kpt #: 234 total cpu time spent up to now is 130.4 secs Computing kpt #: 235 total cpu time spent up to now is 130.9 secs Computing kpt #: 236 total cpu time spent up to now is 131.4 secs Computing kpt #: 237 total cpu time spent up to now is 131.9 secs Computing kpt #: 238 total cpu time spent up to now is 132.3 secs Computing kpt #: 239 total cpu time spent up to now is 132.8 secs Computing kpt #: 240 total cpu time spent up to now is 133.3 secs Computing kpt #: 241 total cpu time spent up to now is 133.8 secs Computing kpt #: 242 total cpu time spent up to now is 134.3 secs Computing kpt #: 243 total cpu time spent up to now is 134.8 secs Computing kpt #: 244 total cpu time spent up to now is 135.3 secs Computing kpt #: 245 total cpu time spent up to now is 135.8 secs Computing kpt #: 246 total cpu time spent up to now is 136.3 secs Computing kpt #: 247 total cpu time spent up to now is 136.8 secs Computing kpt #: 248 total cpu time spent up to now is 137.3 secs Computing kpt #: 249 total cpu time spent up to now is 137.8 secs Computing kpt #: 250 total cpu time spent up to now is 138.3 secs Computing kpt #: 251 total cpu time spent up to now is 138.8 secs Computing kpt #: 252 total cpu time spent up to now is 139.3 secs Computing kpt #: 253 total cpu time spent up to now is 139.8 secs Computing kpt #: 254 total cpu time spent up to now is 140.3 secs Computing kpt #: 255 total cpu time spent up to now is 140.8 secs Computing kpt #: 256 total cpu time spent up to now is 141.3 secs Computing kpt #: 257 total cpu time spent up to now is 141.8 secs Computing kpt #: 258 total cpu time spent up to now is 142.3 secs Computing kpt #: 259 total cpu time spent up to now is 142.8 secs Computing kpt #: 260 total cpu time spent up to now is 143.4 secs Computing kpt #: 261 total cpu time spent up to now is 143.9 secs Computing kpt #: 262 total cpu time spent up to now is 144.4 secs Computing kpt #: 263 total cpu time spent up to now is 144.9 secs Computing kpt #: 264 total cpu time spent up to now is 145.4 secs Computing kpt #: 265 total cpu time spent up to now is 146.0 secs Computing kpt #: 266 total cpu time spent up to now is 146.5 secs Computing kpt #: 267 total cpu time spent up to now is 147.0 secs Computing kpt #: 268 total cpu time spent up to now is 147.6 secs Computing kpt #: 269 total cpu time spent up to now is 148.1 secs Computing kpt #: 270 total cpu time spent up to now is 148.7 secs Computing kpt #: 271 total cpu time spent up to now is 149.2 secs Computing kpt #: 272 total cpu time spent up to now is 149.7 secs Computing kpt #: 273 total cpu time spent up to now is 150.3 secs Computing kpt #: 274 total cpu time spent up to now is 150.8 secs Computing kpt #: 275 total cpu time spent up to now is 151.4 secs Computing kpt #: 276 total cpu time spent up to now is 151.9 secs Computing kpt #: 277 total cpu time spent up to now is 152.4 secs Computing kpt #: 278 total cpu time spent up to now is 153.0 secs Computing kpt #: 279 total cpu time spent up to now is 153.5 secs Computing kpt #: 280 total cpu time spent up to now is 154.1 secs Computing kpt #: 281 total cpu time spent up to now is 154.8 secs Computing kpt #: 282 total cpu time spent up to now is 155.4 secs Computing kpt #: 283 total cpu time spent up to now is 156.0 secs Computing kpt #: 284 total cpu time spent up to now is 156.5 secs Computing kpt #: 285 total cpu time spent up to now is 157.0 secs Computing kpt #: 286 total cpu time spent up to now is 157.6 secs Computing kpt #: 287 total cpu time spent up to now is 158.1 secs Computing kpt #: 288 total cpu time spent up to now is 158.6 secs Computing kpt #: 289 total cpu time spent up to now is 159.2 secs Computing kpt #: 290 total cpu time spent up to now is 159.7 secs Computing kpt #: 291 total cpu time spent up to now is 160.2 secs Computing kpt #: 292 total cpu time spent up to now is 160.7 secs Computing kpt #: 293 total cpu time spent up to now is 161.3 secs Computing kpt #: 294 total cpu time spent up to now is 161.8 secs Computing kpt #: 295 total cpu time spent up to now is 162.3 secs Computing kpt #: 296 total cpu time spent up to now is 162.8 secs Computing kpt #: 297 total cpu time spent up to now is 163.4 secs Computing kpt #: 298 total cpu time spent up to now is 163.9 secs Computing kpt #: 299 total cpu time spent up to now is 164.4 secs Computing kpt #: 300 total cpu time spent up to now is 164.9 secs Computing kpt #: 301 total cpu time spent up to now is 165.5 secs Computing kpt #: 302 total cpu time spent up to now is 166.0 secs Computing kpt #: 303 total cpu time spent up to now is 166.5 secs Computing kpt #: 304 total cpu time spent up to now is 167.0 secs Computing kpt #: 305 total cpu time spent up to now is 167.5 secs Computing kpt #: 306 total cpu time spent up to now is 168.0 secs Computing kpt #: 307 total cpu time spent up to now is 168.5 secs ethr = 2.63E-08, avg # of iterations = 18.4 total cpu time spent up to now is 168.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3341 PWs) bands (ev): -5.2334 -5.2334 -4.2035 -4.2035 -4.1415 -4.1415 -4.0559 -4.0559 -3.7674 -3.7674 -3.6988 -3.6988 -2.1585 -2.1585 -1.9986 -1.9986 -1.9848 -1.9848 -1.6299 -1.6299 -1.5539 -1.5539 -1.5142 -1.5142 1.1212 1.1212 4.6968 4.6968 6.0554 6.0554 6.6459 6.6459 6.8136 6.8136 7.3557 7.3557 7.3680 7.3680 10.3728 10.3728 10.5083 10.5083 12.4065 12.4065 13.3385 13.3385 k = 0.0106-0.0184-0.0111 ( 3339 PWs) bands (ev): -5.2325 -5.2325 -4.2058 -4.2058 -4.1450 -4.1450 -4.0505 -4.0505 -3.7672 -3.7672 -3.6984 -3.6984 -2.1580 -2.1580 -1.9983 -1.9983 -1.9847 -1.9847 -1.6298 -1.6298 -1.5538 -1.5538 -1.5142 -1.5142 1.1225 1.1225 4.6908 4.6908 6.0566 6.0566 6.6470 6.6470 6.8150 6.8150 7.3512 7.3512 7.3650 7.3650 10.3622 10.3622 10.5197 10.5197 12.4114 12.4114 13.3418 13.3418 k = 0.0213-0.0368-0.0223 ( 3343 PWs) bands (ev): -5.2296 -5.2296 -4.2135 -4.2135 -4.1523 -4.1523 -4.0369 -4.0369 -3.7665 -3.7665 -3.6975 -3.6975 -2.1566 -2.1566 -1.9976 -1.9976 -1.9844 -1.9844 -1.6296 -1.6296 -1.5535 -1.5535 -1.5141 -1.5141 1.1262 1.1262 4.6731 4.6731 6.0598 6.0598 6.6500 6.6500 6.8194 6.8194 7.3338 7.3338 7.3600 7.3600 10.3355 10.3355 10.5489 10.5489 12.4260 12.4260 13.3517 13.3517 k = 0.0319-0.0552-0.0334 ( 3341 PWs) bands (ev): -5.2249 -5.2249 -4.2267 -4.2267 -4.1588 -4.1588 -4.0194 -4.0194 -3.7655 -3.7655 -3.6959 -3.6959 -2.1544 -2.1544 -1.9964 -1.9964 -1.9839 -1.9839 -1.6292 -1.6292 -1.5531 -1.5531 -1.5140 -1.5140 1.1325 1.1325 4.6443 4.6443 6.0646 6.0646 6.6534 6.6534 6.8277 6.8277 7.3032 7.3032 7.3548 7.3548 10.2990 10.2990 10.5898 10.5898 12.4497 12.4497 13.3679 13.3679 k = 0.0426-0.0736-0.0445 ( 3345 PWs) bands (ev): -5.2184 -5.2184 -4.2447 -4.2447 -4.1631 -4.1631 -4.0004 -4.0004 -3.7641 -3.7641 -3.6935 -3.6935 -2.1513 -2.1513 -1.9947 -1.9947 -1.9831 -1.9831 -1.6286 -1.6286 -1.5524 -1.5524 -1.5139 -1.5139 1.1413 1.1413 4.6055 4.6055 6.0700 6.0700 6.6550 6.6550 6.8402 6.8402 7.2626 7.2626 7.3485 7.3485 10.2553 10.2553 10.6396 10.6396 12.4815 12.4815 13.3899 13.3899 k = 0.0532-0.0920-0.0557 ( 3342 PWs) bands (ev): -5.2100 -5.2100 -4.2657 -4.2657 -4.1656 -4.1656 -3.9813 -3.9813 -3.7623 -3.7623 -3.6903 -3.6903 -2.1475 -2.1475 -1.9926 -1.9926 -1.9819 -1.9819 -1.6278 -1.6278 -1.5516 -1.5516 -1.5137 -1.5137 1.1526 1.1526 4.5580 4.5580 6.0752 6.0752 6.6530 6.6530 6.8559 6.8559 7.2161 7.2161 7.3407 7.3407 10.2057 10.2057 10.6973 10.6973 12.5205 12.5205 13.4172 13.4172 k = 0.0638-0.1104-0.0668 ( 3343 PWs) bands (ev): -5.1997 -5.1997 -4.2884 -4.2884 -4.1670 -4.1670 -3.9627 -3.9627 -3.7602 -3.7602 -3.6860 -3.6860 -2.1431 -2.1431 -1.9902 -1.9902 -1.9802 -1.9802 -1.6270 -1.6270 -1.5507 -1.5507 -1.5133 -1.5133 1.1664 1.1664 4.5030 4.5030 6.0792 6.0792 6.6462 6.6462 6.8695 6.8695 7.1711 7.1711 7.3316 7.3316 10.1510 10.1510 10.7618 10.7618 12.5653 12.5653 13.4488 13.4488 k = 0.0745-0.1288-0.0779 ( 3339 PWs) bands (ev): -5.1878 -5.1878 -4.3120 -4.3120 -4.1677 -4.1677 -3.9451 -3.9451 -3.7579 -3.7579 -3.6806 -3.6806 -2.1381 -2.1381 -1.9877 -1.9877 -1.9777 -1.9777 -1.6259 -1.6259 -1.5495 -1.5495 -1.5128 -1.5128 1.1828 1.1828 4.4417 4.4417 6.0812 6.0812 6.6343 6.6343 6.8696 6.8696 7.1402 7.1402 7.3212 7.3212 10.0923 10.0923 10.8324 10.8324 12.6147 12.6147 13.4830 13.4830 k = 0.0851-0.1472-0.0891 ( 3339 PWs) bands (ev): -5.1741 -5.1741 -4.3360 -4.3360 -4.1680 -4.1680 -3.9288 -3.9288 -3.7555 -3.7555 -3.6738 -3.6738 -2.1328 -2.1328 -1.9853 -1.9853 -1.9741 -1.9741 -1.6248 -1.6248 -1.5481 -1.5481 -1.5122 -1.5122 1.2016 1.2016 4.3752 4.3752 6.0803 6.0803 6.6166 6.6166 6.8437 6.8437 7.1375 7.1375 7.3098 7.3098 10.0303 10.0303 10.9079 10.9079 12.6676 12.6676 13.5161 13.5161 k = 0.0957-0.1656-0.1002 ( 3335 PWs) bands (ev): -5.1587 -5.1587 -4.3601 -4.3601 -4.1680 -4.1680 -3.9139 -3.9139 -3.7530 -3.7530 -3.6656 -3.6656 -2.1272 -2.1272 -1.9831 -1.9831 -1.9694 -1.9694 -1.6235 -1.6235 -1.5466 -1.5466 -1.5113 -1.5113 1.2230 1.2230 4.3046 4.3046 6.0754 6.0754 6.5922 6.5922 6.7942 6.7942 7.1626 7.1626 7.2977 7.2977 9.9661 9.9661 10.9872 10.9872 12.7226 12.7226 13.5320 13.5320 k = 0.1064-0.1840-0.1113 ( 3337 PWs) bands (ev): -5.1418 -5.1418 -4.3840 -4.3840 -4.1679 -4.1679 -3.9005 -3.9005 -3.7506 -3.7506 -3.6560 -3.6560 -2.1216 -2.1216 -1.9810 -1.9810 -1.9634 -1.9634 -1.6221 -1.6221 -1.5449 -1.5449 -1.5101 -1.5101 1.2469 1.2469 4.2307 4.2307 6.0648 6.0648 6.5591 6.5591 6.7351 6.7351 7.2045 7.2045 7.2855 7.2855 9.9006 9.9006 11.0693 11.0693 12.7777 12.7777 13.4841 13.4841 k = 0.1170-0.2024-0.1224 ( 3341 PWs) bands (ev): -5.1233 -5.1233 -4.4076 -4.4076 -4.1676 -4.1676 -3.8886 -3.8886 -3.7483 -3.7483 -3.6450 -3.6450 -2.1160 -2.1160 -1.9789 -1.9789 -1.9564 -1.9564 -1.6206 -1.6206 -1.5431 -1.5431 -1.5085 -1.5085 1.2733 1.2733 4.1541 4.1541 6.0466 6.0466 6.5152 6.5152 6.6790 6.6790 7.2482 7.2482 7.2802 7.2802 9.8345 9.8345 11.1532 11.1532 12.8299 12.8299 13.3888 13.3888 k = 0.1277-0.2208-0.1336 ( 3345 PWs) bands (ev): -5.1034 -5.1034 -4.4307 -4.4307 -4.1672 -4.1672 -3.8781 -3.8781 -3.7462 -3.7462 -3.6327 -3.6327 -2.1106 -2.1106 -1.9767 -1.9767 -1.9482 -1.9482 -1.6191 -1.6191 -1.5412 -1.5412 -1.5065 -1.5065 1.3021 1.3021 4.0756 4.0756 6.0175 6.0175 6.4625 6.4625 6.6320 6.6320 7.2498 7.2498 7.3211 7.3211 9.7687 9.7687 11.2376 11.2376 12.8717 12.8717 13.2859 13.2859 k = 0.1383-0.2392-0.1447 ( 3340 PWs) bands (ev): -5.0823 -5.0823 -4.4532 -4.4532 -4.1668 -4.1668 -3.8688 -3.8688 -3.7442 -3.7442 -3.6193 -3.6193 -2.1056 -2.1056 -1.9743 -1.9743 -1.9391 -1.9391 -1.6174 -1.6174 -1.5392 -1.5392 -1.5039 -1.5039 1.3334 1.3334 3.9957 3.9957 5.9739 5.9739 6.4082 6.4082 6.5930 6.5930 7.2364 7.2364 7.3786 7.3786 9.7039 9.7039 11.3217 11.3217 12.8826 12.8826 13.2036 13.2036 k = 0.1489-0.2576-0.1558 ( 3350 PWs) bands (ev): -5.0599 -5.0599 -4.4749 -4.4749 -4.1663 -4.1663 -3.8606 -3.8606 -3.7425 -3.7425 -3.6050 -3.6050 -2.1009 -2.1009 -1.9718 -1.9718 -1.9291 -1.9291 -1.6157 -1.6157 -1.5372 -1.5372 -1.5007 -1.5007 1.3670 1.3670 3.9147 3.9147 5.9135 5.9135 6.3599 6.3599 6.5589 6.5589 7.2213 7.2213 7.4375 7.4375 9.6407 9.6407 11.4042 11.4042 12.8300 12.8300 13.1777 13.1777 k = 0.1596-0.2760-0.1670 ( 3352 PWs) bands (ev): -5.0366 -5.0366 -4.4958 -4.4958 -4.1657 -4.1657 -3.8533 -3.8533 -3.7408 -3.7408 -3.5902 -3.5902 -2.0967 -2.0967 -1.9691 -1.9691 -1.9183 -1.9183 -1.6141 -1.6141 -1.5351 -1.5351 -1.4968 -1.4968 1.4030 1.4030 3.8332 3.8332 5.8364 5.8364 6.3212 6.3212 6.5274 6.5274 7.2057 7.2057 7.4951 7.4951 9.5796 9.5796 11.4838 11.4838 12.7204 12.7204 13.2038 13.2038 k = 0.1702-0.2944-0.1781 ( 3350 PWs) bands (ev): -5.0125 -5.0125 -4.5155 -4.5155 -4.1651 -4.1651 -3.8466 -3.8466 -3.7394 -3.7394 -3.5750 -3.5750 -2.0929 -2.0929 -1.9663 -1.9663 -1.9067 -1.9067 -1.6124 -1.6124 -1.5329 -1.5329 -1.4920 -1.4920 1.4411 1.4411 3.7516 3.7516 5.7457 5.7457 6.2912 6.2912 6.4974 6.4974 7.1898 7.1898 7.5500 7.5500 9.5212 9.5212 11.5588 11.5588 12.5861 12.5861 13.2524 13.2524 k = 0.1809-0.3127-0.1892 ( 3352 PWs) bands (ev): -4.9879 -4.9879 -4.5340 -4.5340 -4.1645 -4.1645 -3.8404 -3.8404 -3.7380 -3.7380 -3.5596 -3.5596 -2.0896 -2.0896 -1.9633 -1.9633 -1.8946 -1.8946 -1.6107 -1.6107 -1.5307 -1.5307 -1.4865 -1.4865 1.4814 1.4814 3.6700 3.6700 5.6454 5.6454 6.2673 6.2673 6.4687 6.4687 7.1738 7.1738 7.6009 7.6009 9.4659 9.4659 11.6267 11.6267 12.4450 12.4450 13.3089 13.3089 k = 0.1915-0.3311-0.2004 ( 3361 PWs) bands (ev): -4.9631 -4.9631 -4.5510 -4.5510 -4.1638 -4.1638 -3.8345 -3.8345 -3.7367 -3.7367 -3.5442 -3.5442 -2.0868 -2.0868 -1.9601 -1.9601 -1.8820 -1.8820 -1.6090 -1.6090 -1.5285 -1.5285 -1.4801 -1.4801 1.5236 1.5236 3.5890 3.5890 5.5390 5.5390 6.2469 6.2469 6.4414 6.4414 7.1576 7.1576 7.6465 7.6465 9.4139 9.4139 11.6825 11.6825 12.3083 12.3083 13.3680 13.3680 k = 0.2021-0.3495-0.2115 ( 3359 PWs) bands (ev): -4.9386 -4.9386 -4.5661 -4.5661 -4.1632 -4.1632 -3.8288 -3.8288 -3.7355 -3.7355 -3.5290 -3.5290 -2.0843 -2.0843 -1.9567 -1.9567 -1.8692 -1.8692 -1.6075 -1.6075 -1.5263 -1.5263 -1.4728 -1.4728 1.5676 1.5676 3.5087 3.5087 5.4292 5.4292 6.2276 6.2276 6.4159 6.4159 7.1415 7.1415 7.6860 7.6860 9.3653 9.3653 11.7154 11.7154 12.1901 12.1901 13.4269 13.4269 k = 0.2128-0.3679-0.2226 ( 3362 PWs) bands (ev): -4.9149 -4.9149 -4.5789 -4.5789 -4.1625 -4.1625 -3.8232 -3.8232 -3.7343 -3.7343 -3.5141 -3.5141 -2.0822 -2.0822 -1.9533 -1.9533 -1.8561 -1.8561 -1.6060 -1.6060 -1.5239 -1.5239 -1.4647 -1.4647 1.6130 1.6130 3.4296 3.4296 5.3178 5.3178 6.2080 6.2080 6.3925 6.3925 7.1255 7.1255 7.7182 7.7182 9.3200 9.3200 11.7050 11.7050 12.1132 12.1132 13.4839 13.4839 k = 0.2234-0.3863-0.2338 ( 3363 PWs) bands (ev): -4.8927 -4.8927 -4.5888 -4.5888 -4.1618 -4.1618 -3.8175 -3.8175 -3.7332 -3.7332 -3.4996 -3.4996 -2.0805 -2.0805 -1.9497 -1.9497 -1.8429 -1.8429 -1.6046 -1.6046 -1.5215 -1.5215 -1.4558 -1.4558 1.6596 1.6596 3.3521 3.3521 5.2064 5.2064 6.1870 6.1870 6.3718 6.3718 7.1096 7.1096 7.7424 7.7424 9.2776 9.2776 11.6388 11.6388 12.0922 12.0922 13.5375 13.5375 k = 0.2340-0.4047-0.2449 ( 3371 PWs) bands (ev): -4.8730 -4.8730 -4.5949 -4.5949 -4.1611 -4.1611 -3.8116 -3.8116 -3.7320 -3.7320 -3.4857 -3.4857 -2.0790 -2.0790 -1.9461 -1.9461 -1.8297 -1.8297 -1.6033 -1.6033 -1.5190 -1.5190 -1.4461 -1.4461 1.7070 1.7070 3.2765 3.2765 5.0962 5.0962 6.1640 6.1640 6.3538 6.3538 7.0938 7.0938 7.7582 7.7582 9.2371 9.2371 11.5363 11.5363 12.1095 12.1095 13.5854 13.5854 k = 0.2447-0.4231-0.2560 ( 3371 PWs) bands (ev): -4.8567 -4.8567 -4.5966 -4.5966 -4.1605 -4.1605 -3.8055 -3.8055 -3.7308 -3.7308 -3.4723 -3.4723 -2.0778 -2.0778 -1.9425 -1.9425 -1.8165 -1.8165 -1.6020 -1.6020 -1.5164 -1.5164 -1.4358 -1.4358 1.7546 1.7546 3.2033 3.2033 4.9881 4.9881 6.1388 6.1388 6.3384 6.3384 7.0782 7.0782 7.7652 7.7652 9.1973 9.1973 11.4222 11.4222 12.1423 12.1423 13.6244 13.6244 k = 0.2553-0.4415-0.2672 ( 3372 PWs) bands (ev): -4.8446 -4.8446 -4.5931 -4.5931 -4.1598 -4.1598 -3.7991 -3.7991 -3.7295 -3.7295 -3.4595 -3.4595 -2.0768 -2.0768 -1.9388 -1.9388 -1.8034 -1.8034 -1.6009 -1.6009 -1.5137 -1.5137 -1.4250 -1.4250 1.8017 1.8017 3.1332 3.1332 4.8829 4.8829 6.1119 6.1119 6.3251 6.3251 7.0629 7.0629 7.7634 7.7634 9.1569 9.1569 11.3098 11.3098 12.1796 12.1796 13.6493 13.6493 k = 0.2660-0.4599-0.2783 ( 3369 PWs) bands (ev): -4.8371 -4.8371 -4.5842 -4.5842 -4.1592 -4.1592 -3.7924 -3.7924 -3.7281 -3.7281 -3.4475 -3.4475 -2.0759 -2.0759 -1.9351 -1.9351 -1.7904 -1.7904 -1.5999 -1.5999 -1.5110 -1.5110 -1.4138 -1.4138 1.8475 1.8475 3.0668 3.0668 4.7815 4.7815 6.0836 6.0836 6.3134 6.3134 7.0478 7.0478 7.7531 7.7531 9.1140 9.1140 11.2055 11.2055 12.2165 12.2165 13.6547 13.6547 k = 0.2766-0.4783-0.2894 ( 3370 PWs) bands (ev): -4.8341 -4.8341 -4.5704 -4.5704 -4.1586 -4.1586 -3.7853 -3.7853 -3.7264 -3.7264 -3.4362 -3.4362 -2.0753 -2.0753 -1.9315 -1.9315 -1.7774 -1.7774 -1.5989 -1.5989 -1.5082 -1.5082 -1.4023 -1.4023 1.8909 1.8909 3.0050 3.0050 4.6847 4.6847 6.0543 6.0543 6.3028 6.3028 7.0330 7.0330 7.7348 7.7348 9.0670 9.0670 11.1131 11.1131 12.2511 12.2511 13.6411 13.6411 k = 0.2872-0.4967-0.3006 ( 3371 PWs) bands (ev): -4.8347 -4.8347 -4.5526 -4.5526 -4.1580 -4.1580 -3.7778 -3.7778 -3.7243 -3.7243 -3.4257 -3.4257 -2.0747 -2.0747 -1.9279 -1.9279 -1.7645 -1.7645 -1.5979 -1.5979 -1.5054 -1.5054 -1.3908 -1.3908 1.9307 1.9307 2.9489 2.9489 4.5933 4.5933 6.0246 6.0246 6.2926 6.2926 7.0185 7.0185 7.7089 7.7089 9.0146 9.0146 11.0346 11.0346 12.2826 12.2826 13.6159 13.6159 k = 0.2979-0.5151-0.3117 ( 3369 PWs) bands (ev): -4.8381 -4.8381 -4.5319 -4.5319 -4.1574 -4.1574 -3.7702 -3.7702 -3.7216 -3.7216 -3.4160 -3.4160 -2.0743 -2.0743 -1.9243 -1.9243 -1.7516 -1.7516 -1.5970 -1.5970 -1.5025 -1.5025 -1.3795 -1.3795 1.9652 1.9652 2.8996 2.8996 4.5081 4.5081 5.9948 5.9948 6.2823 6.2823 7.0045 7.0045 7.6763 7.6763 8.9561 8.9561 10.9709 10.9709 12.3106 12.3106 13.5859 13.5859 k = 0.3085-0.5335-0.3228 ( 3375 PWs) bands (ev): -4.8433 -4.8433 -4.5094 -4.5094 -4.1569 -4.1569 -3.7627 -3.7627 -3.7179 -3.7179 -3.4072 -3.4072 -2.0740 -2.0740 -1.9209 -1.9209 -1.7386 -1.7386 -1.5961 -1.5961 -1.4997 -1.4997 -1.3686 -1.3686 1.9928 1.9928 2.8582 2.8582 4.4300 4.4300 5.9652 5.9652 6.2715 6.2715 6.9908 6.9908 7.6376 7.6376 8.8915 8.8915 10.9222 10.9222 12.3349 12.3349 13.5548 13.5548 k = 0.3191-0.5519-0.3339 ( 3371 PWs) bands (ev): -4.8498 -4.8498 -4.4860 -4.4860 -4.1565 -4.1565 -3.7558 -3.7558 -3.7127 -3.7127 -3.3993 -3.3993 -2.0737 -2.0737 -1.9176 -1.9176 -1.7255 -1.7255 -1.5952 -1.5952 -1.4968 -1.4968 -1.3582 -1.3582 2.0119 2.0119 2.8259 2.8259 4.3599 4.3599 5.9362 5.9362 6.2598 6.2598 6.9775 6.9775 7.5933 7.5933 8.8215 8.8215 10.8877 10.8877 12.3555 12.3555 13.5248 13.5248 k = 0.3298-0.5703-0.3451 ( 3371 PWs) bands (ev): -4.8568 -4.8568 -4.4625 -4.4625 -4.1561 -4.1561 -3.7499 -3.7499 -3.7054 -3.7054 -3.3923 -3.3923 -2.0735 -2.0735 -1.9145 -1.9145 -1.7123 -1.7123 -1.5942 -1.5942 -1.4940 -1.4940 -1.3485 -1.3485 2.0213 2.0213 2.8030 2.8030 4.2990 4.2990 5.9079 5.9079 6.2465 6.2465 6.9648 6.9648 7.5443 7.5443 8.7474 8.7474 10.8658 10.8658 12.3726 12.3726 13.4969 13.4969 k = 0.3404-0.5887-0.3562 ( 3374 PWs) bands (ev): -4.8643 -4.8643 -4.4393 -4.4393 -4.1558 -4.1558 -3.7453 -3.7453 -3.6958 -3.6958 -3.3863 -3.3863 -2.0733 -2.0733 -1.9114 -1.9114 -1.6990 -1.6990 -1.5930 -1.5930 -1.4913 -1.4913 -1.3399 -1.3399 2.0209 2.0209 2.7891 2.7891 4.2481 4.2481 5.8806 5.8806 6.2311 6.2311 6.9525 6.9525 7.4913 7.4913 8.6711 8.6711 10.8547 10.8547 12.3863 12.3863 13.4718 13.4718 k = 0.3511-0.6071-0.3673 ( 3365 PWs) bands (ev): -4.8717 -4.8717 -4.4169 -4.4169 -4.1555 -4.1555 -3.7419 -3.7419 -3.6839 -3.6839 -3.3813 -3.3813 -2.0732 -2.0732 -1.9086 -1.9086 -1.6857 -1.6857 -1.5916 -1.5916 -1.4885 -1.4885 -1.3324 -1.3324 2.0112 2.0112 2.7827 2.7827 4.2084 4.2084 5.8544 5.8544 6.2131 6.2131 6.9409 6.9409 7.4351 7.4351 8.5943 8.5943 10.8525 10.8525 12.3968 12.3968 13.4497 13.4497 k = 0.3617-0.6255-0.3785 ( 3370 PWs) bands (ev): -4.8790 -4.8790 -4.3957 -4.3957 -4.1553 -4.1553 -3.7395 -3.7395 -3.6702 -3.6702 -3.3773 -3.3773 -2.0731 -2.0731 -1.9059 -1.9059 -1.6725 -1.6725 -1.5898 -1.5898 -1.4859 -1.4859 -1.3263 -1.3263 1.9939 1.9939 2.7815 2.7815 4.1807 4.1807 5.8294 5.8294 6.1918 6.1918 6.9298 6.9298 7.3765 7.3765 8.5189 8.5189 10.8573 10.8573 12.4045 12.4045 13.4306 13.4306 k = 0.3723-0.6439-0.3896 ( 3364 PWs) bands (ev): -4.8860 -4.8860 -4.3758 -4.3758 -4.1551 -4.1551 -3.7377 -3.7377 -3.6551 -3.6551 -3.3743 -3.3743 -2.0731 -2.0731 -1.9034 -1.9034 -1.6595 -1.6595 -1.5874 -1.5874 -1.4832 -1.4832 -1.3217 -1.3217 1.9708 1.9708 2.7830 2.7830 4.1656 4.1656 5.8059 5.8059 6.1666 6.1666 6.9193 6.9193 7.3169 7.3169 8.4465 8.4465 10.8672 10.8672 12.4095 12.4095 13.4144 13.4144 k = 0.3830-0.6623-0.4007 ( 3364 PWs) bands (ev): -4.8927 -4.8927 -4.3574 -4.3574 -4.1551 -4.1551 -3.7363 -3.7363 -3.6387 -3.6387 -3.3725 -3.3725 -2.0731 -2.0731 -1.9010 -1.9010 -1.6472 -1.6472 -1.5840 -1.5840 -1.4807 -1.4807 -1.3187 -1.3187 1.9441 1.9441 2.7850 2.7850 4.1635 4.1635 5.7839 5.7839 6.1367 6.1367 6.9095 6.9095 7.2576 7.2576 8.3784 8.3784 10.8807 10.8807 12.4123 12.4123 13.4009 13.4009 k = 0.3936-0.6807-0.4119 ( 3370 PWs) bands (ev): -4.8989 -4.8989 -4.3406 -4.3406 -4.1551 -4.1551 -3.7353 -3.7353 -3.6215 -3.6215 -3.3717 -3.3717 -2.0731 -2.0731 -1.8989 -1.8989 -1.6361 -1.6361 -1.5791 -1.5791 -1.4781 -1.4781 -1.3175 -1.3175 1.9154 1.9154 2.7857 2.7857 4.1740 4.1740 5.7634 5.7634 6.1016 6.1016 6.9005 6.9005 7.1999 7.1999 8.3153 8.3153 10.8964 10.8964 12.4132 12.4132 13.3898 13.3898 k = 0.4043-0.6991-0.4230 ( 3371 PWs) bands (ev): -4.9046 -4.9046 -4.3255 -4.3255 -4.1551 -4.1551 -3.7344 -3.7344 -3.6037 -3.6037 -3.3721 -3.3721 -2.0731 -2.0731 -1.8969 -1.8969 -1.6270 -1.6270 -1.5722 -1.5722 -1.4755 -1.4755 -1.3180 -1.3180 1.8863 1.8863 2.7845 2.7845 4.1961 4.1961 5.7447 5.7447 6.0611 6.0611 6.8922 6.8922 7.1453 7.1453 8.2580 8.2580 10.9132 10.9132 12.4125 12.4125 13.3809 13.3809 k = 0.4149-0.7175-0.4341 ( 3371 PWs) bands (ev): -4.9098 -4.9098 -4.3120 -4.3120 -4.1553 -4.1553 -3.7338 -3.7338 -3.5856 -3.5856 -3.3736 -3.3736 -2.0731 -2.0731 -1.8952 -1.8952 -1.6201 -1.6201 -1.5629 -1.5629 -1.4729 -1.4729 -1.3204 -1.3204 1.8580 1.8580 2.7810 2.7810 4.2285 4.2285 5.7278 5.7278 6.0152 6.0152 6.8848 6.8848 7.0951 7.0951 8.2068 8.2068 10.9302 10.9302 12.4108 12.4108 13.3737 13.3737 k = 0.4255-0.7359-0.4453 ( 3369 PWs) bands (ev): -4.9144 -4.9144 -4.3003 -4.3003 -4.1554 -4.1554 -3.7332 -3.7332 -3.5675 -3.5675 -3.3762 -3.3762 -2.0731 -2.0731 -1.8936 -1.8936 -1.6154 -1.6154 -1.5518 -1.5518 -1.4700 -1.4700 -1.3244 -1.3244 1.8314 1.8314 2.7755 2.7755 4.2690 4.2690 5.7127 5.7127 5.9646 5.9646 6.8782 6.8782 7.0503 7.0503 8.1618 8.1618 10.9466 10.9466 12.4082 12.4082 13.3680 13.3680 k = 0.4362-0.7543-0.4564 ( 3369 PWs) bands (ev): -4.9185 -4.9185 -4.2902 -4.2902 -4.1556 -4.1556 -3.7328 -3.7328 -3.5498 -3.5498 -3.3799 -3.3799 -2.0731 -2.0731 -1.8923 -1.8923 -1.6122 -1.6122 -1.5397 -1.5397 -1.4667 -1.4667 -1.3302 -1.3302 1.8072 1.8072 2.7688 2.7688 4.3152 4.3152 5.6994 5.6994 5.9107 5.9107 6.8727 6.8727 7.0116 7.0116 8.1231 8.1231 10.9617 10.9617 12.4053 12.4053 13.3635 13.3635 k = 0.4468-0.7727-0.4675 ( 3371 PWs) bands (ev): -4.9219 -4.9219 -4.2817 -4.2817 -4.1559 -4.1559 -3.7324 -3.7324 -3.5326 -3.5326 -3.3846 -3.3846 -2.0732 -2.0732 -1.8911 -1.8911 -1.6100 -1.6100 -1.5277 -1.5277 -1.4626 -1.4626 -1.3374 -1.3374 1.7860 1.7860 2.7614 2.7614 4.3643 4.3643 5.6882 5.6882 5.8556 5.8556 6.8681 6.8681 6.9792 6.9792 8.0906 8.0906 10.9753 10.9753 12.4022 12.4022 13.3600 13.3600 k = 0.4574-0.7911-0.4787 ( 3366 PWs) bands (ev): -4.9248 -4.9248 -4.2749 -4.2749 -4.1561 -4.1561 -3.7321 -3.7321 -3.5166 -3.5166 -3.3902 -3.3902 -2.0732 -2.0732 -1.8902 -1.8902 -1.6086 -1.6086 -1.5169 -1.5169 -1.4575 -1.4575 -1.3457 -1.3457 1.7681 1.7681 2.7543 2.7543 4.4129 4.4129 5.6790 5.6790 5.8021 5.8021 6.8645 6.8645 6.9530 6.9530 8.0641 8.0641 10.9867 10.9867 12.3993 12.3993 13.3574 13.3574 k = 0.4681-0.8095-0.4898 ( 3368 PWs) bands (ev): -4.9270 -4.9270 -4.2695 -4.2695 -4.1563 -4.1563 -3.7319 -3.7319 -3.5021 -3.5021 -3.3963 -3.3963 -2.0732 -2.0732 -1.8894 -1.8894 -1.6076 -1.6076 -1.5082 -1.5082 -1.4512 -1.4512 -1.3548 -1.3548 1.7539 1.7539 2.7480 2.7480 4.4571 4.4571 5.6718 5.6718 5.7539 5.7539 6.8620 6.8620 6.9329 6.9329 8.0437 8.0437 10.9959 10.9959 12.3969 12.3969 13.3554 13.3554 k = 0.4787-0.8279-0.5009 ( 3368 PWs) bands (ev): -4.9285 -4.9285 -4.2658 -4.2658 -4.1565 -4.1565 -3.7318 -3.7318 -3.4901 -3.4901 -3.4022 -3.4022 -2.0732 -2.0732 -1.8889 -1.8889 -1.6070 -1.6070 -1.5022 -1.5022 -1.4441 -1.4441 -1.3635 -1.3635 1.7437 1.7437 2.7430 2.7430 4.4930 4.4930 5.6667 5.6667 5.7151 5.7151 6.8605 6.8605 6.9185 6.9185 8.0292 8.0292 11.0026 11.0026 12.3950 12.3950 13.3541 13.3541 k = 0.4894-0.8463-0.5121 ( 3362 PWs) bands (ev): -4.9295 -4.9295 -4.2635 -4.2635 -4.1566 -4.1566 -3.7317 -3.7317 -3.4817 -3.4817 -3.4069 -3.4069 -2.0732 -2.0732 -1.8886 -1.8886 -1.6066 -1.6066 -1.4987 -1.4987 -1.4379 -1.4379 -1.3704 -1.3704 1.7374 1.7374 2.7399 2.7399 4.5166 4.5166 5.6638 5.6638 5.6895 5.6895 6.8598 6.8598 6.9098 6.9098 8.0205 8.0205 11.0067 11.0067 12.3938 12.3938 13.3533 13.3533 k = 0.5000-0.8647-0.5232 ( 3364 PWs) bands (ev): -4.9298 -4.9298 -4.2627 -4.2627 -4.1566 -4.1566 -3.7317 -3.7317 -3.4786 -3.4786 -3.4088 -3.4088 -2.0732 -2.0732 -1.8885 -1.8885 -1.6065 -1.6065 -1.4976 -1.4976 -1.4353 -1.4353 -1.3732 -1.3732 1.7353 1.7353 2.7389 2.7389 4.5249 4.5249 5.6631 5.6631 5.6804 5.6804 6.8596 6.8596 6.9069 6.9069 8.0176 8.0176 11.0081 11.0081 12.3933 12.3933 13.3530 13.3530 k = 0.5000-0.8647-0.5232 ( 3364 PWs) bands (ev): -4.9298 -4.9298 -4.2627 -4.2627 -4.1566 -4.1566 -3.7317 -3.7317 -3.4786 -3.4786 -3.4088 -3.4088 -2.0732 -2.0732 -1.8885 -1.8885 -1.6065 -1.6065 -1.4976 -1.4976 -1.4353 -1.4353 -1.3732 -1.3732 1.7353 1.7353 2.7389 2.7389 4.5249 4.5249 5.6631 5.6631 5.6804 5.6804 6.8596 6.8596 6.9069 6.9069 8.0176 8.0176 11.0081 11.0081 12.3933 12.3933 13.3530 13.3530 k = 0.5000-0.8525-0.5433 ( 3366 PWs) bands (ev): -4.9294 -4.9294 -4.2666 -4.2666 -4.1529 -4.1529 -3.7317 -3.7317 -3.4787 -3.4787 -3.4085 -3.4085 -2.0726 -2.0726 -1.8885 -1.8885 -1.6066 -1.6066 -1.4980 -1.4980 -1.4355 -1.4355 -1.3726 -1.3726 1.7355 1.7355 2.7399 2.7399 4.5259 4.5259 5.6306 5.6306 5.7071 5.7071 6.7799 6.7799 6.9841 6.9841 8.0254 8.0254 11.0066 11.0066 12.3955 12.3955 13.3414 13.3414 k = 0.5000-0.8403-0.5635 ( 3358 PWs) bands (ev): -4.9282 -4.9282 -4.2771 -4.2771 -4.1429 -4.1429 -3.7320 -3.7320 -3.4787 -3.4787 -3.4078 -3.4078 -2.0709 -2.0709 -1.8887 -1.8887 -1.6068 -1.6068 -1.4991 -1.4991 -1.4358 -1.4358 -1.3709 -1.3709 1.7360 1.7360 2.7430 2.7430 4.5289 4.5289 5.5847 5.5847 5.7359 5.7359 6.6787 6.6787 7.0778 7.0778 8.0483 8.0483 11.0022 11.0022 12.4016 12.4016 13.3078 13.3078 k = 0.5000-0.8281-0.5836 ( 3364 PWs) bands (ev): -4.9261 -4.9261 -4.2916 -4.2916 -4.1291 -4.1291 -3.7325 -3.7325 -3.4789 -3.4789 -3.4067 -3.4067 -2.0681 -2.0681 -1.8889 -1.8889 -1.6072 -1.6072 -1.5009 -1.5009 -1.4362 -1.4362 -1.3682 -1.3682 1.7368 1.7368 2.7480 2.7480 4.5339 4.5339 5.5323 5.5323 5.7609 5.7609 6.5749 6.5749 7.1690 7.1690 8.0854 8.0854 10.9948 10.9948 12.4107 12.4107 13.2561 13.2561 k = 0.5000-0.8159-0.6038 ( 3368 PWs) bands (ev): -4.9233 -4.9233 -4.3084 -4.3084 -4.1134 -4.1134 -3.7331 -3.7331 -3.4791 -3.4791 -3.4051 -3.4051 -2.0641 -2.0641 -1.8893 -1.8893 -1.6078 -1.6078 -1.5034 -1.5034 -1.4365 -1.4365 -1.3647 -1.3647 1.7379 1.7379 2.7551 2.7551 4.5408 4.5408 5.4740 5.4740 5.7825 5.7825 6.4698 6.4698 7.2567 7.2567 8.1353 8.1353 10.9846 10.9846 12.4212 12.4212 13.1920 13.1920 k = 0.5000-0.8037-0.6239 ( 3374 PWs) bands (ev): -4.9197 -4.9197 -4.3265 -4.3265 -4.0966 -4.0966 -3.7340 -3.7340 -3.4792 -3.4792 -3.4031 -3.4031 -2.0591 -2.0591 -1.8897 -1.8897 -1.6087 -1.6087 -1.5064 -1.5064 -1.4365 -1.4365 -1.3607 -1.3607 1.7392 1.7392 2.7641 2.7641 4.5496 4.5496 5.4106 5.4106 5.8017 5.8017 6.3641 6.3641 7.3403 7.3403 8.1963 8.1963 10.9714 10.9714 12.4300 12.4300 13.1219 13.1219 k = 0.5000-0.7915-0.6441 ( 3368 PWs) bands (ev): -4.9154 -4.9154 -4.3453 -4.3453 -4.0794 -4.0794 -3.7350 -3.7350 -3.4793 -3.4793 -3.4008 -3.4008 -2.0530 -2.0530 -1.8901 -1.8901 -1.6099 -1.6099 -1.5099 -1.5099 -1.4359 -1.4359 -1.3564 -1.3564 1.7406 1.7406 2.7749 2.7749 4.5602 4.5602 5.3431 5.3431 5.8186 5.8186 6.2587 6.2587 7.4194 7.4194 8.2663 8.2663 10.9555 10.9555 12.4321 12.4321 13.0540 13.0540 k = 0.5000-0.7793-0.6642 ( 3366 PWs) bands (ev): -4.9103 -4.9103 -4.3646 -4.3646 -4.0621 -4.0621 -3.7362 -3.7362 -3.4794 -3.4794 -3.3983 -3.3983 -2.0458 -2.0458 -1.8907 -1.8907 -1.6116 -1.6116 -1.5136 -1.5136 -1.4349 -1.4349 -1.3519 -1.3519 1.7421 1.7421 2.7876 2.7876 4.5725 4.5725 5.2726 5.2726 5.8332 5.8332 6.1548 6.1548 7.4935 7.4935 8.3433 8.3433 10.9370 10.9370 12.4207 12.4207 12.9973 12.9973 k = 0.5000-0.7671-0.6843 ( 3370 PWs) bands (ev): -4.9044 -4.9044 -4.3841 -4.3841 -4.0449 -4.0449 -3.7377 -3.7377 -3.4793 -3.4793 -3.3954 -3.3954 -2.0378 -2.0378 -1.8912 -1.8912 -1.6137 -1.6137 -1.5175 -1.5175 -1.4334 -1.4334 -1.3474 -1.3474 1.7436 1.7436 2.8019 2.8019 4.5862 4.5862 5.2004 5.2004 5.8433 5.8433 6.0555 6.0555 7.5624 7.5624 8.4255 8.4255 10.9162 10.9162 12.3885 12.3885 12.9601 12.9601 k = 0.5000-0.7550-0.7045 ( 3372 PWs) bands (ev): -4.8979 -4.8979 -4.4036 -4.4036 -4.0279 -4.0279 -3.7394 -3.7394 -3.4790 -3.4790 -3.3924 -3.3924 -2.0288 -2.0288 -1.8918 -1.8918 -1.6164 -1.6164 -1.5212 -1.5212 -1.4315 -1.4315 -1.3430 -1.3430 1.7449 1.7449 2.8177 2.8177 4.6011 4.6011 5.1279 5.1279 5.8386 5.8386 5.9720 5.9720 7.6256 7.6256 8.5107 8.5107 10.8934 10.8934 12.3328 12.3328 12.9456 12.9456 k = 0.5000-0.7428-0.7246 ( 3370 PWs) bands (ev): -4.8908 -4.8908 -4.4231 -4.4231 -4.0113 -4.0113 -3.7412 -3.7412 -3.4786 -3.4786 -3.3891 -3.3891 -2.0190 -2.0190 -1.8923 -1.8923 -1.6199 -1.6199 -1.5246 -1.5246 -1.4290 -1.4290 -1.3387 -1.3387 1.7460 1.7460 2.8350 2.8350 4.6166 4.6166 5.0564 5.0564 5.7897 5.7897 5.9343 5.9343 7.6828 7.6828 8.5971 8.5971 10.8692 10.8692 12.2569 12.2569 12.9490 12.9490 k = 0.5000-0.7306-0.7448 ( 3378 PWs) bands (ev): -4.8830 -4.8830 -4.4425 -4.4425 -3.9950 -3.9950 -3.7433 -3.7433 -3.4779 -3.4779 -3.3858 -3.3858 -2.0084 -2.0084 -1.8929 -1.8929 -1.6241 -1.6241 -1.5277 -1.5277 -1.4261 -1.4261 -1.3347 -1.3347 1.7468 1.7468 2.8535 2.8535 4.6318 4.6318 4.9878 4.9878 5.7047 5.7047 5.9353 5.9353 7.7336 7.7336 8.6827 8.6827 10.8445 10.8445 12.1675 12.1675 12.9605 12.9605 k = 0.5000-0.7184-0.7649 ( 3378 PWs) bands (ev): -4.8746 -4.8746 -4.4617 -4.4617 -3.9792 -3.9792 -3.7457 -3.7457 -3.4771 -3.4771 -3.3823 -3.3823 -1.9972 -1.9972 -1.8933 -1.8933 -1.6290 -1.6290 -1.5302 -1.5302 -1.4228 -1.4228 -1.3310 -1.3310 1.7470 1.7470 2.8729 2.8729 4.6449 4.6449 4.9244 4.9244 5.6115 5.6115 5.9476 5.9476 7.7775 7.7775 8.7655 8.7655 10.8203 10.8203 12.0711 12.0711 12.9695 12.9695 k = 0.5000-0.7062-0.7851 ( 3376 PWs) bands (ev): -4.8657 -4.8657 -4.4807 -4.4807 -3.9640 -3.9640 -3.7482 -3.7482 -3.4760 -3.4760 -3.3788 -3.3788 -1.9854 -1.9854 -1.8935 -1.8935 -1.6348 -1.6348 -1.5321 -1.5321 -1.4191 -1.4191 -1.3277 -1.3277 1.7467 1.7467 2.8931 2.8931 4.6523 4.6523 4.8705 4.8705 5.5189 5.5189 5.9636 5.9636 7.8143 7.8143 8.8435 8.8435 10.7977 10.7977 11.9720 11.9720 12.9683 12.9683 k = 0.5000-0.6940-0.8052 ( 3380 PWs) bands (ev): -4.8563 -4.8563 -4.4995 -4.4995 -3.9493 -3.9493 -3.7510 -3.7510 -3.4747 -3.4747 -3.3753 -3.3753 -1.9733 -1.9733 -1.8935 -1.8935 -1.6412 -1.6412 -1.5335 -1.5335 -1.4152 -1.4152 -1.3248 -1.3248 1.7457 1.7457 2.9137 2.9137 4.6472 4.6472 4.8329 4.8329 5.4296 5.4296 5.9812 5.9812 7.8435 7.8435 8.9146 8.9146 10.7785 10.7785 11.8739 11.8739 12.9549 12.9549 k = 0.5000-0.6818-0.8254 ( 3380 PWs) bands (ev): -4.8464 -4.8464 -4.5179 -4.5179 -3.9351 -3.9351 -3.7541 -3.7541 -3.4731 -3.4731 -3.3718 -3.3718 -1.9611 -1.9611 -1.8930 -1.8930 -1.6484 -1.6484 -1.5344 -1.5344 -1.4109 -1.4109 -1.3224 -1.3224 1.7440 1.7440 2.9343 2.9343 4.6245 4.6245 4.8166 4.8166 5.3457 5.3457 5.9998 5.9998 7.8647 7.8647 8.9767 8.9767 10.7640 10.7640 11.7790 11.7790 12.9332 12.9332 k = 0.5000-0.6696-0.8455 ( 3386 PWs) bands (ev): -4.8362 -4.8362 -4.5359 -4.5359 -3.9216 -3.9216 -3.7573 -3.7573 -3.4714 -3.4714 -3.3684 -3.3684 -1.9491 -1.9491 -1.8918 -1.8918 -1.6562 -1.6562 -1.5349 -1.5349 -1.4063 -1.4063 -1.3204 -1.3204 1.7413 1.7413 2.9546 2.9546 4.5884 4.5884 4.8166 4.8166 5.2695 5.2695 6.0190 6.0190 7.8777 7.8777 9.0279 9.0279 10.7559 10.7559 11.6897 11.6897 12.9080 12.9080 k = 0.5000-0.6574-0.8657 ( 3386 PWs) bands (ev): -4.8256 -4.8256 -4.5535 -4.5535 -3.9088 -3.9088 -3.7609 -3.7609 -3.4695 -3.4695 -3.3650 -3.3650 -1.9380 -1.9380 -1.8894 -1.8894 -1.6644 -1.6644 -1.5349 -1.5349 -1.4016 -1.4016 -1.3190 -1.3190 1.7378 1.7378 2.9741 2.9741 4.5473 4.5473 4.8227 4.8227 5.2041 5.2041 6.0386 6.0386 7.8821 7.8821 9.0666 9.0666 10.7554 10.7554 11.6075 11.6075 12.8830 12.8830 k = 0.5000-0.6452-0.8858 ( 3380 PWs) bands (ev): -4.8147 -4.8147 -4.5707 -4.5707 -3.8965 -3.8965 -3.7646 -3.7646 -3.4674 -3.4674 -3.3618 -3.3618 -1.9286 -1.9286 -1.8849 -1.8849 -1.6731 -1.6731 -1.5347 -1.5347 -1.3966 -1.3966 -1.3181 -1.3181 1.7333 1.7333 2.9921 2.9921 4.5069 4.5069 4.8260 4.8260 5.1540 5.1540 6.0584 6.0584 7.8778 7.8778 9.0916 9.0916 10.7630 10.7630 11.5344 11.5344 12.8605 12.8605 k = 0.5000-0.6331-0.9059 ( 3382 PWs) bands (ev): -4.8035 -4.8035 -4.5873 -4.5873 -3.8850 -3.8850 -3.7686 -3.7686 -3.4652 -3.4652 -3.3587 -3.3587 -1.9217 -1.9217 -1.8777 -1.8777 -1.6822 -1.6822 -1.5342 -1.5342 -1.3915 -1.3915 -1.3178 -1.3178 1.7279 1.7279 3.0082 3.0082 4.4696 4.4696 4.8202 4.8202 5.1239 5.1239 6.0781 6.0781 7.8645 7.8645 9.1029 9.1029 10.7782 10.7782 11.4720 11.4720 12.8419 12.8419 k = 0.5000-0.6209-0.9261 ( 3386 PWs) bands (ev): -4.7922 -4.7922 -4.6035 -4.6035 -3.8741 -3.8741 -3.7729 -3.7729 -3.4630 -3.4630 -3.3558 -3.3558 -1.9174 -1.9174 -1.8679 -1.8679 -1.6915 -1.6915 -1.5335 -1.5335 -1.3864 -1.3864 -1.3180 -1.3180 1.7218 1.7218 3.0216 3.0216 4.4371 4.4371 4.8028 4.8028 5.1160 5.1160 6.0976 6.0976 7.8423 7.8423 9.1009 9.1009 10.7993 10.7993 11.4223 11.4223 12.8276 12.8276 k = 0.5000-0.6087-0.9462 ( 3378 PWs) bands (ev): -4.7808 -4.7808 -4.6191 -4.6191 -3.8638 -3.8638 -3.7773 -3.7773 -3.4608 -3.4608 -3.3531 -3.3531 -1.9150 -1.9150 -1.8562 -1.8562 -1.7010 -1.7010 -1.5326 -1.5326 -1.3813 -1.3813 -1.3188 -1.3188 1.7149 1.7149 3.0318 3.0318 4.4099 4.4099 4.7775 4.7775 5.1268 5.1268 6.1165 6.1165 7.8113 7.8113 9.0868 9.0868 10.8237 10.8237 11.3876 11.3876 12.8182 12.8182 k = 0.5000-0.5965-0.9664 ( 3380 PWs) bands (ev): -4.7693 -4.7693 -4.6340 -4.6340 -3.8542 -3.8542 -3.7821 -3.7821 -3.4586 -3.4586 -3.3507 -3.3507 -1.9137 -1.9137 -1.8436 -1.8436 -1.7107 -1.7107 -1.5317 -1.5317 -1.3763 -1.3763 -1.3202 -1.3202 1.7075 1.7075 3.0382 3.0382 4.3885 4.3885 4.7502 4.7502 5.1508 5.1508 6.1347 6.1347 7.7718 7.7718 9.0625 9.0625 10.8479 10.8479 11.3700 11.3700 12.8137 12.8137 k = 0.5000-0.5843-0.9865 ( 3386 PWs) bands (ev): -4.7579 -4.7579 -4.6483 -4.6483 -3.8453 -3.8453 -3.7870 -3.7870 -3.4566 -3.4566 -3.3486 -3.3486 -1.9130 -1.9130 -1.8306 -1.8306 -1.7203 -1.7203 -1.5308 -1.5308 -1.3716 -1.3716 -1.3219 -1.3219 1.6998 1.6998 3.0402 3.0402 4.3732 4.3732 4.7260 4.7260 5.1833 5.1833 6.1519 6.1519 7.7241 7.7241 9.0300 9.0300 10.8687 10.8687 11.3709 11.3709 12.8142 12.8142 k = 0.5000-0.5721-1.0067 ( 3388 PWs) bands (ev): -4.7467 -4.7467 -4.6618 -4.6618 -3.8370 -3.8370 -3.7921 -3.7921 -3.4548 -3.4548 -3.3468 -3.3468 -1.9127 -1.9127 -1.8179 -1.8179 -1.7298 -1.7298 -1.5299 -1.5299 -1.3674 -1.3674 -1.3240 -1.3240 1.6921 1.6921 3.0376 3.0376 4.3640 4.3640 4.7079 4.7079 5.2217 5.2217 6.1679 6.1679 7.6688 7.6688 8.9913 8.9913 10.8845 10.8845 11.3902 11.3902 12.8197 12.8197 k = 0.5000-0.5599-1.0268 ( 3390 PWs) bands (ev): -4.7361 -4.7361 -4.6742 -4.6742 -3.8294 -3.8294 -3.7974 -3.7974 -3.4533 -3.4533 -3.3454 -3.3454 -1.9127 -1.9127 -1.8059 -1.8059 -1.7387 -1.7387 -1.5290 -1.5290 -1.3640 -1.3640 -1.3261 -1.3261 1.6846 1.6846 3.0301 3.0301 4.3609 4.3609 4.6976 4.6976 5.2643 5.2643 6.1823 6.1823 7.6065 7.6065 8.9484 8.9484 10.8956 10.8956 11.4256 11.4256 12.8303 12.8303 k = 0.5000-0.5477-1.0470 ( 3386 PWs) bands (ev): -4.7266 -4.7266 -4.6848 -4.6848 -3.8228 -3.8228 -3.8026 -3.8026 -3.4521 -3.4521 -3.3443 -3.3443 -1.9128 -1.9128 -1.7959 -1.7959 -1.7461 -1.7461 -1.5282 -1.5282 -1.3618 -1.3618 -1.3279 -1.3279 1.6776 1.6776 3.0179 3.0179 4.3637 4.3637 4.6960 4.6960 5.3102 5.3102 6.1949 6.1949 7.5380 7.5380 8.9030 8.9030 10.9036 10.9036 11.4734 11.4734 12.8460 12.8460 k = 0.5000-0.5355-1.0671 ( 3380 PWs) bands (ev): -4.7207 -4.7207 -4.6914 -4.6914 -3.8182 -3.8182 -3.8065 -3.8065 -3.4514 -3.4514 -3.3436 -3.3436 -1.9130 -1.9130 -1.7901 -1.7901 -1.7497 -1.7497 -1.5275 -1.5275 -1.3613 -1.3613 -1.3290 -1.3290 1.6714 1.6714 3.0013 3.0013 4.3724 4.3724 4.7034 4.7034 5.3588 5.3588 6.2053 6.2053 7.4641 7.4641 8.8567 8.8567 10.9107 10.9107 11.5297 11.5297 12.8669 12.8669 k = 0.5000-0.5234-1.0873 ( 3380 PWs) bands (ev): -4.7223 -4.7223 -4.6900 -4.6900 -3.8194 -3.8194 -3.8055 -3.8055 -3.4513 -3.4513 -3.3433 -3.3433 -1.9133 -1.9133 -1.7911 -1.7911 -1.7470 -1.7470 -1.5269 -1.5269 -1.3629 -1.3629 -1.3290 -1.3290 1.6665 1.6665 2.9809 2.9809 4.3865 4.3865 4.7194 4.7194 5.4097 5.4097 6.2134 6.2134 7.3857 7.3857 8.8109 8.8109 10.9185 10.9185 11.5913 11.5913 12.8929 12.8929 k = 0.5000-0.5112-1.1074 ( 3384 PWs) bands (ev): -4.7293 -4.7293 -4.6828 -4.6828 -3.8247 -3.8247 -3.8011 -3.8011 -3.4518 -3.4518 -3.3434 -3.3434 -1.9138 -1.9138 -1.7975 -1.7975 -1.7396 -1.7396 -1.5265 -1.5265 -1.3664 -1.3664 -1.3283 -1.3283 1.6631 1.6631 2.9574 2.9574 4.4059 4.4059 4.7438 4.7438 5.4626 5.4626 6.2189 6.2189 7.3036 7.3036 8.7668 8.7668 10.9279 10.9279 11.6557 11.6557 12.9243 12.9243 k = 0.5000-0.4990-1.1275 ( 3388 PWs) bands (ev): -4.7378 -4.7378 -4.6737 -4.6737 -3.8312 -3.8312 -3.7962 -3.7962 -3.4530 -3.4530 -3.3439 -3.3439 -1.9143 -1.9143 -1.8064 -1.8064 -1.7302 -1.7302 -1.5263 -1.5263 -1.3713 -1.3713 -1.3273 -1.3273 1.6614 1.6614 2.9315 2.9315 4.4302 4.4302 4.7759 4.7759 5.5174 5.5174 6.2216 6.2216 7.2188 7.2188 8.7254 8.7254 10.9395 10.9395 11.7209 11.7209 12.9608 12.9608 k = 0.8169-0.4139-0.9652 ( 3388 PWs) bands (ev): -4.7378 -4.7378 -4.6737 -4.6737 -3.8312 -3.8312 -3.7962 -3.7962 -3.4530 -3.4530 -3.3439 -3.3439 -1.9143 -1.9143 -1.8064 -1.8064 -1.7302 -1.7302 -1.5263 -1.5263 -1.3713 -1.3713 -1.3273 -1.3273 1.6614 1.6614 2.9315 2.9315 4.4302 4.4302 4.7759 4.7759 5.5174 5.5174 6.2216 6.2216 7.2188 7.2188 8.7254 8.7254 10.9395 10.9395 11.7209 11.7209 12.9608 12.9608 k = 0.8107-0.4032-0.9447 ( 3386 PWs) bands (ev): -4.7464 -4.7464 -4.6641 -4.6641 -3.8384 -3.8384 -3.7915 -3.7915 -3.4551 -3.4551 -3.3449 -3.3449 -1.9150 -1.9150 -1.8166 -1.8166 -1.7201 -1.7201 -1.5263 -1.5263 -1.3773 -1.3773 -1.3264 -1.3264 1.6619 1.6619 2.9035 2.9035 4.4595 4.4595 4.8157 4.8157 5.5749 5.5749 6.2213 6.2213 7.1303 7.1303 8.6867 8.6867 10.9537 10.9537 11.7869 11.7869 13.0034 13.0034 k = 0.8045-0.3924-0.9242 ( 3384 PWs) bands (ev): -4.7545 -4.7545 -4.6547 -4.6547 -3.8460 -3.8460 -3.7871 -3.7871 -3.4580 -3.4580 -3.3464 -3.3464 -1.9158 -1.9158 -1.8274 -1.8274 -1.7103 -1.7103 -1.5265 -1.5265 -1.3841 -1.3841 -1.3260 -1.3260 1.6649 1.6649 2.8747 2.8747 4.4930 4.4930 4.8618 4.8618 5.6341 5.6341 6.2179 6.2179 7.0408 7.0408 8.6525 8.6525 10.9703 10.9703 11.8515 11.8515 13.0511 13.0511 k = 0.7983-0.3817-0.9036 ( 3386 PWs) bands (ev): -4.7620 -4.7620 -4.6456 -4.6456 -3.8541 -3.8541 -3.7830 -3.7830 -3.4619 -3.4619 -3.3483 -3.3483 -1.9167 -1.9167 -1.8383 -1.8383 -1.7008 -1.7008 -1.5270 -1.5270 -1.3913 -1.3913 -1.3264 -1.3264 1.6705 1.6705 2.8458 2.8458 4.5304 4.5304 4.9135 4.9135 5.6946 5.6946 6.2114 6.2114 6.9511 6.9511 8.6231 8.6231 10.9891 10.9891 11.9142 11.9142 13.1038 13.1038 k = 0.7921-0.3709-0.8831 ( 3386 PWs) bands (ev): -4.7688 -4.7688 -4.6369 -4.6369 -3.8625 -3.8625 -3.7793 -3.7793 -3.4669 -3.4669 -3.3507 -3.3507 -1.9179 -1.9179 -1.8493 -1.8493 -1.6918 -1.6918 -1.5278 -1.5278 -1.3989 -1.3989 -1.3278 -1.3278 1.6790 1.6790 2.8175 2.8175 4.5711 4.5711 4.9698 4.9698 5.7564 5.7564 6.2022 6.2022 6.8622 6.8622 8.5990 8.5990 11.0098 11.0098 11.9746 11.9746 13.1608 13.1608 k = 0.7859-0.3602-0.8626 ( 3376 PWs) bands (ev): -4.7748 -4.7748 -4.6288 -4.6288 -3.8714 -3.8714 -3.7759 -3.7759 -3.4728 -3.4728 -3.3535 -3.3535 -1.9193 -1.9193 -1.8602 -1.8602 -1.6835 -1.6835 -1.5288 -1.5288 -1.4067 -1.4067 -1.3303 -1.3303 1.6904 1.6904 2.7904 2.7904 4.6146 4.6146 5.0298 5.0298 5.8190 5.8190 6.1905 6.1905 6.7750 6.7750 8.5805 8.5805 11.0322 11.0322 12.0326 12.0326 13.2216 13.2216 k = 0.7797-0.3495-0.8421 ( 3374 PWs) bands (ev): -4.7801 -4.7801 -4.6214 -4.6214 -3.8808 -3.8808 -3.7728 -3.7728 -3.4797 -3.4797 -3.3569 -3.3569 -1.9211 -1.9211 -1.8708 -1.8708 -1.6758 -1.6758 -1.5300 -1.5300 -1.4146 -1.4146 -1.3340 -1.3340 1.7050 1.7050 2.7649 2.7649 4.6604 4.6604 5.0928 5.0928 5.8819 5.8819 6.1772 6.1772 6.6907 6.6907 8.5677 8.5677 11.0560 11.0560 12.0883 12.0883 13.2854 13.2854 k = 0.7734-0.3387-0.8216 ( 3370 PWs) bands (ev): -4.7845 -4.7845 -4.6146 -4.6146 -3.8906 -3.8906 -3.7699 -3.7699 -3.4876 -3.4876 -3.3608 -3.3608 -1.9235 -1.9235 -1.8810 -1.8810 -1.6688 -1.6688 -1.5316 -1.5316 -1.4226 -1.4226 -1.3389 -1.3389 1.7226 1.7226 2.7414 2.7414 4.7080 4.7080 5.1579 5.1579 5.9436 5.9436 6.1637 6.1637 6.6106 6.6106 8.5605 8.5605 11.0810 11.0810 12.1421 12.1421 13.3511 13.3511 k = 0.7672-0.3280-0.8011 ( 3368 PWs) bands (ev): -4.7881 -4.7881 -4.6087 -4.6087 -3.9009 -3.9009 -3.7674 -3.7674 -3.4963 -3.4963 -3.3652 -3.3652 -1.9265 -1.9265 -1.8903 -1.8903 -1.6625 -1.6625 -1.5333 -1.5333 -1.4305 -1.4305 -1.3450 -1.3450 1.7435 1.7435 2.7199 2.7199 4.7566 4.7566 5.2240 5.2240 6.0003 6.0003 6.1533 6.1533 6.5367 6.5367 8.5588 8.5588 11.1068 11.1068 12.1941 12.1941 13.4174 13.4174 k = 0.7610-0.3172-0.7805 ( 3368 PWs) bands (ev): -4.7909 -4.7909 -4.6035 -4.6035 -3.9117 -3.9117 -3.7651 -3.7651 -3.5059 -3.5059 -3.3702 -3.3702 -1.9307 -1.9307 -1.8986 -1.8986 -1.6569 -1.6569 -1.5353 -1.5353 -1.4385 -1.4385 -1.3523 -1.3523 1.7674 1.7674 2.7008 2.7008 4.8056 4.8056 5.2902 5.2902 6.0417 6.0417 6.1552 6.1552 6.4724 6.4724 8.5625 8.5625 11.1332 11.1332 12.2447 12.2447 13.4824 13.4824 k = 0.7548-0.3065-0.7600 ( 3372 PWs) bands (ev): -4.7929 -4.7929 -4.5993 -4.5993 -3.9230 -3.9230 -3.7630 -3.7630 -3.5162 -3.5162 -3.3758 -3.3758 -1.9363 -1.9363 -1.9053 -1.9053 -1.6521 -1.6521 -1.5376 -1.5376 -1.4465 -1.4465 -1.3608 -1.3608 1.7944 1.7944 2.6841 2.6841 4.8542 4.8542 5.3551 5.3551 6.0542 6.0542 6.1781 6.1781 6.4245 6.4245 8.5712 8.5712 11.1602 11.1602 12.2942 12.2942 13.5431 13.5431 k = 0.7486-0.2957-0.7395 ( 3376 PWs) bands (ev): -4.7941 -4.7941 -4.5961 -4.5961 -3.9348 -3.9348 -3.7612 -3.7612 -3.5271 -3.5271 -3.3820 -3.3820 -1.9431 -1.9431 -1.9106 -1.9106 -1.6481 -1.6481 -1.5399 -1.5399 -1.4545 -1.4545 -1.3701 -1.3701 1.8243 1.8243 2.6696 2.6696 4.9015 4.9015 5.4173 5.4173 6.0468 6.0468 6.2018 6.2018 6.4070 6.4070 8.5848 8.5848 11.1874 11.1874 12.3428 12.3428 13.5921 13.5921 k = 0.7424-0.2850-0.7190 ( 3374 PWs) bands (ev): -4.7944 -4.7944 -4.5940 -4.5940 -3.9471 -3.9471 -3.7595 -3.7595 -3.5385 -3.5385 -3.3889 -3.3889 -1.9510 -1.9510 -1.9147 -1.9147 -1.6448 -1.6448 -1.5425 -1.5425 -1.4626 -1.4626 -1.3802 -1.3802 1.8570 1.8570 2.6574 2.6574 4.9467 4.9467 5.4744 5.4744 6.0339 6.0339 6.2031 6.2031 6.4322 6.4322 8.6029 8.6029 11.2148 11.2148 12.3908 12.3908 13.6036 13.6036 k = 0.7362-0.2742-0.6985 ( 3374 PWs) bands (ev): -4.7938 -4.7938 -4.5931 -4.5931 -3.9598 -3.9598 -3.7581 -3.7581 -3.5502 -3.5502 -3.3965 -3.3965 -1.9593 -1.9593 -1.9180 -1.9180 -1.6425 -1.6425 -1.5453 -1.5453 -1.4710 -1.4710 -1.3908 -1.3908 1.8923 1.8923 2.6471 2.6471 4.9888 4.9888 5.5237 5.5237 6.0227 6.0227 6.1904 6.1904 6.4883 6.4883 8.6252 8.6252 11.2424 11.2424 12.4381 12.4381 13.5587 13.5587 k = 0.7299-0.2635-0.6780 ( 3374 PWs) bands (ev): -4.7925 -4.7925 -4.5934 -4.5934 -3.9728 -3.9728 -3.7568 -3.7568 -3.5620 -3.5620 -3.4048 -3.4048 -1.9678 -1.9678 -1.9210 -1.9210 -1.6411 -1.6411 -1.5483 -1.5483 -1.4795 -1.4795 -1.4015 -1.4015 1.9300 1.9300 2.6385 2.6385 5.0269 5.0269 5.5618 5.5618 6.0183 6.0183 6.1790 6.1790 6.5594 6.5594 8.6513 8.6513 11.2700 11.2700 12.4846 12.4846 13.4926 13.4926 k = 0.7237-0.2527-0.6574 ( 3366 PWs) bands (ev): -4.7903 -4.7903 -4.5950 -4.5950 -3.9861 -3.9861 -3.7558 -3.7558 -3.5739 -3.5739 -3.4137 -3.4137 -1.9762 -1.9762 -1.9236 -1.9236 -1.6409 -1.6409 -1.5516 -1.5516 -1.4882 -1.4882 -1.4121 -1.4121 1.9698 1.9698 2.6314 2.6314 5.0604 5.0604 5.5858 5.5858 6.0254 6.0254 6.1755 6.1755 6.6382 6.6382 8.6810 8.6810 11.2977 11.2977 12.5296 12.5296 13.4212 13.4212 k = 0.7175-0.2420-0.6369 ( 3362 PWs) bands (ev): -4.7873 -4.7873 -4.5981 -4.5981 -3.9996 -3.9996 -3.7549 -3.7549 -3.5858 -3.5858 -3.4234 -3.4234 -1.9844 -1.9844 -1.9262 -1.9262 -1.6419 -1.6419 -1.5554 -1.5554 -1.4969 -1.4969 -1.4222 -1.4222 2.0115 2.0115 2.6254 2.6254 5.0889 5.0889 5.5953 5.5953 6.0463 6.0463 6.1815 6.1815 6.7216 6.7216 8.7140 8.7140 11.3254 11.3254 12.5722 12.5722 13.3493 13.3493 k = 0.7113-0.2312-0.6164 ( 3362 PWs) bands (ev): -4.7835 -4.7835 -4.6027 -4.6027 -4.0132 -4.0132 -3.7541 -3.7541 -3.5975 -3.5975 -3.4339 -3.4339 -1.9923 -1.9923 -1.9287 -1.9287 -1.6444 -1.6444 -1.5599 -1.5599 -1.5052 -1.5052 -1.4316 -1.4316 2.0547 2.0547 2.6201 2.6201 5.1124 5.1124 5.5932 5.5932 6.0797 6.0797 6.1970 6.1970 6.8083 6.8083 8.7502 8.7502 11.3533 11.3533 12.6103 12.6103 13.2804 13.2804 k = 0.7051-0.2205-0.5959 ( 3362 PWs) bands (ev): -4.7789 -4.7789 -4.6088 -4.6088 -4.0267 -4.0267 -3.7536 -3.7536 -3.6090 -3.6090 -3.4450 -3.4450 -1.9999 -1.9999 -1.9312 -1.9312 -1.6488 -1.6488 -1.5651 -1.5651 -1.5125 -1.5125 -1.4403 -1.4403 2.0992 2.0992 2.6151 2.6151 5.1312 5.1312 5.5841 5.5841 6.1225 6.1225 6.2211 6.2211 6.8974 6.8974 8.7891 8.7891 11.3814 11.3814 12.6400 12.6400 13.2192 13.2192 k = 0.6989-0.2097-0.5754 ( 3362 PWs) bands (ev): -4.7735 -4.7735 -4.6166 -4.6166 -4.0399 -4.0399 -3.7532 -3.7532 -3.6202 -3.6202 -3.4569 -3.4569 -2.0071 -2.0071 -1.9337 -1.9337 -1.6554 -1.6554 -1.5710 -1.5710 -1.5185 -1.5185 -1.4483 -1.4483 2.1445 2.1445 2.6100 2.6100 5.1460 5.1460 5.5724 5.5724 6.1715 6.1715 6.2524 6.2524 6.9884 6.9884 8.8307 8.8307 11.4097 11.4097 12.6557 12.6557 13.1721 13.1721 k = 0.6927-0.1990-0.5549 ( 3354 PWs) bands (ev): -4.7674 -4.7674 -4.6260 -4.6260 -4.0527 -4.0527 -3.7529 -3.7529 -3.6311 -3.6311 -3.4695 -3.4695 -2.0140 -2.0140 -1.9361 -1.9361 -1.6645 -1.6645 -1.5770 -1.5770 -1.5231 -1.5231 -1.4555 -1.4555 2.1904 2.1904 2.6045 2.6045 5.1580 5.1580 5.5614 5.5614 6.2244 6.2244 6.2895 6.2895 7.0806 7.0806 8.8747 8.8747 11.4383 11.4383 12.6504 12.6504 13.1466 13.1466 k = 0.6864-0.1882-0.5343 ( 3356 PWs) bands (ev): -4.7606 -4.7606 -4.6369 -4.6369 -4.0651 -4.0651 -3.7529 -3.7529 -3.6416 -3.6416 -3.4827 -3.4827 -2.0205 -2.0205 -1.9386 -1.9386 -1.6761 -1.6761 -1.5827 -1.5827 -1.5264 -1.5264 -1.4621 -1.4621 2.2364 2.2364 2.5983 2.5983 5.1683 5.1683 5.5533 5.5533 6.2797 6.2797 6.3309 6.3309 7.1736 7.1736 8.9208 8.9208 11.4672 11.4672 12.6208 12.6208 13.1465 13.1465 k = 0.6802-0.1775-0.5138 ( 3356 PWs) bands (ev): -4.7533 -4.7533 -4.6494 -4.6494 -4.0767 -4.0767 -3.7530 -3.7530 -3.6518 -3.6518 -3.4965 -3.4965 -2.0266 -2.0266 -1.9411 -1.9411 -1.6902 -1.6902 -1.5877 -1.5877 -1.5287 -1.5287 -1.4682 -1.4682 2.2821 2.2821 2.5909 2.5909 5.1781 5.1781 5.5497 5.5497 6.3359 6.3359 6.3756 6.3756 7.2668 7.2668 8.9689 8.9689 11.4964 11.4964 12.5701 12.5701 13.1686 13.1686 k = 0.6740-0.1668-0.4933 ( 3358 PWs) bands (ev): -4.7456 -4.7456 -4.6630 -4.6630 -4.0877 -4.0877 -3.7533 -3.7533 -3.6617 -3.6617 -3.5108 -3.5108 -2.0325 -2.0325 -1.9435 -1.9435 -1.7063 -1.7063 -1.5920 -1.5920 -1.5303 -1.5303 -1.4738 -1.4738 2.3271 2.3271 2.5823 2.5823 5.1887 5.1887 5.5515 5.5515 6.3915 6.3915 6.4233 6.4233 7.3596 7.3596 9.0187 9.0187 11.5258 11.5258 12.5053 12.5053 13.2054 13.2054 k = 0.6678-0.1560-0.4728 ( 3356 PWs) bands (ev): -4.7381 -4.7381 -4.6772 -4.6772 -4.0977 -4.0977 -3.7538 -3.7538 -3.6714 -3.6714 -3.5255 -3.5255 -2.0380 -2.0380 -1.9460 -1.9460 -1.7237 -1.7237 -1.5956 -1.5956 -1.5313 -1.5313 -1.4791 -1.4791 2.3710 2.3710 2.5722 2.5722 5.2011 5.2011 5.5593 5.5593 6.4442 6.4442 6.4747 6.4747 7.4515 7.4515 9.0698 9.0698 11.5550 11.5550 12.4331 12.4331 13.2467 13.2467 k = 0.6616-0.1453-0.4523 ( 3354 PWs) bands (ev): -4.7329 -4.7329 -4.6899 -4.6899 -4.1070 -4.1070 -3.7546 -3.7546 -3.6810 -3.6810 -3.5405 -3.5405 -2.0433 -2.0433 -1.9484 -1.9484 -1.7421 -1.7421 -1.5986 -1.5986 -1.5320 -1.5320 -1.4840 -1.4840 2.4133 2.4133 2.5604 2.5604 5.2162 5.2162 5.5736 5.5736 6.4928 6.4928 6.5297 6.5297 7.5418 7.5418 9.1216 9.1216 11.5836 11.5836 12.3583 12.3583 13.2728 13.2728 k = 0.6554-0.1345-0.4318 ( 3352 PWs) bands (ev): -4.7354 -4.7354 -4.6954 -4.6954 -4.1153 -4.1153 -3.7557 -3.7557 -3.6904 -3.6904 -3.5556 -3.5556 -2.0484 -2.0484 -1.9508 -1.9508 -1.7610 -1.7610 -1.6013 -1.6013 -1.5324 -1.5324 -1.4887 -1.4887 2.4536 2.4536 2.5472 2.5472 5.2350 5.2350 5.5944 5.5944 6.5381 6.5381 6.5865 6.5865 7.6301 7.6301 9.1737 9.1737 11.6106 11.6106 12.2848 12.2848 13.2563 13.2563 k = 0.6491-0.1238-0.4112 ( 3344 PWs) bands (ev): -4.7483 -4.7483 -4.6908 -4.6908 -4.1228 -4.1228 -3.7572 -3.7572 -3.6999 -3.6999 -3.5706 -3.5706 -2.0533 -2.0533 -1.9531 -1.9531 -1.7800 -1.7800 -1.6036 -1.6036 -1.5327 -1.5327 -1.4930 -1.4930 2.4913 2.4913 2.5328 2.5328 5.2580 5.2580 5.6217 5.6217 6.5811 6.5811 6.6434 6.6434 7.7157 7.7157 9.2252 9.2252 11.6345 11.6345 12.2163 12.2163 13.2113 13.2113 k = 0.6429-0.1130-0.3907 ( 3348 PWs) bands (ev): -4.7665 -4.7665 -4.6811 -4.6811 -4.1295 -4.1295 -3.7594 -3.7594 -3.7094 -3.7094 -3.5852 -3.5852 -2.0581 -2.0581 -1.9555 -1.9555 -1.7988 -1.7988 -1.6058 -1.6058 -1.5329 -1.5329 -1.4971 -1.4971 2.5119 2.5119 2.5313 2.5313 5.2859 5.2859 5.6555 5.6555 6.6221 6.6221 6.6993 6.6993 7.7981 7.7981 9.2752 9.2752 11.6530 11.6530 12.1566 12.1566 13.1581 13.1581 k = 0.6367-0.1023-0.3702 ( 3356 PWs) bands (ev): -4.7868 -4.7868 -4.6693 -4.6693 -4.1353 -4.1353 -3.7626 -3.7626 -3.7189 -3.7189 -3.5993 -3.5993 -2.0628 -2.0628 -1.9577 -1.9577 -1.8173 -1.8173 -1.6077 -1.6077 -1.5331 -1.5331 -1.5009 -1.5009 2.4960 2.4960 2.5622 2.5622 5.3191 5.3191 5.6954 5.6954 6.6611 6.6611 6.7536 6.7536 7.8766 7.8766 9.3224 9.3224 11.6634 11.6634 12.1097 12.1097 13.1042 13.1042 k = 0.6305-0.0915-0.3497 ( 3354 PWs) bands (ev): -4.8082 -4.8082 -4.6563 -4.6563 -4.1405 -4.1405 -3.7674 -3.7674 -3.7278 -3.7278 -3.6125 -3.6125 -2.0674 -2.0674 -1.9599 -1.9599 -1.8351 -1.8351 -1.6095 -1.6095 -1.5333 -1.5333 -1.5044 -1.5044 2.4770 2.4770 2.5920 2.5920 5.3579 5.3579 5.7412 5.7412 6.6984 6.6984 6.8059 6.8059 7.9508 7.9508 9.3654 9.3654 11.6635 11.6635 12.0786 12.0786 13.0528 13.0528 k = 0.6243-0.0808-0.3292 ( 3358 PWs) bands (ev): -4.8301 -4.8301 -4.6422 -4.6422 -4.1450 -4.1450 -3.7749 -3.7749 -3.7355 -3.7355 -3.6246 -3.6246 -2.0721 -2.0721 -1.9620 -1.9620 -1.8522 -1.8522 -1.6113 -1.6113 -1.5336 -1.5336 -1.5075 -1.5075 2.4568 2.4568 2.6190 2.6190 5.4024 5.4024 5.7924 5.7924 6.7339 6.7339 6.8557 6.8557 8.0203 8.0203 9.4025 9.4025 11.6540 11.6540 12.0634 12.0634 13.0064 13.0064 k = 0.6181-0.0700-0.3086 ( 3360 PWs) bands (ev): -4.8523 -4.8523 -4.6274 -4.6274 -4.1489 -4.1489 -3.7856 -3.7856 -3.7415 -3.7415 -3.6354 -3.6354 -2.0768 -2.0768 -1.9641 -1.9641 -1.8683 -1.8683 -1.6130 -1.6130 -1.5342 -1.5342 -1.5101 -1.5101 2.4356 2.4356 2.6430 2.6430 5.4528 5.4528 5.8485 5.8485 6.7676 6.7676 6.9029 6.9029 8.0845 8.0845 9.4316 9.4316 11.6391 11.6391 12.0601 12.0601 12.9676 12.9676 k = 0.6119-0.0593-0.2881 ( 3362 PWs) bands (ev): -4.8745 -4.8745 -4.6119 -4.6119 -4.1522 -4.1522 -3.7995 -3.7995 -3.7458 -3.7458 -3.6448 -3.6448 -2.0816 -2.0816 -1.9661 -1.9661 -1.8834 -1.8834 -1.6146 -1.6146 -1.5349 -1.5349 -1.5124 -1.5124 2.4139 2.4139 2.6640 2.6640 5.5089 5.5089 5.9091 5.9091 6.7997 6.7997 6.9472 6.9472 8.1431 8.1431 9.4510 9.4510 11.6245 11.6245 12.0624 12.0624 12.9392 12.9392 k = 0.6056-0.0485-0.2676 ( 3356 PWs) bands (ev): -4.8964 -4.8964 -4.5957 -4.5957 -4.1551 -4.1551 -3.8160 -3.8160 -3.7490 -3.7490 -3.6530 -3.6530 -2.0865 -2.0865 -1.9680 -1.9680 -1.8973 -1.8973 -1.6162 -1.6162 -1.5359 -1.5359 -1.5141 -1.5141 2.3918 2.3918 2.6820 2.6820 5.5706 5.5706 5.9734 5.9734 6.8302 6.8302 6.9886 6.9886 8.1957 8.1957 9.4588 9.4588 11.6154 11.6154 12.0647 12.0647 12.9238 12.9238 k = 0.5994-0.0378-0.2471 ( 3354 PWs) bands (ev): -4.9179 -4.9179 -4.5789 -4.5789 -4.1577 -4.1577 -3.8344 -3.8344 -3.7515 -3.7515 -3.6599 -3.6599 -2.0915 -2.0915 -1.9699 -1.9699 -1.9101 -1.9101 -1.6177 -1.6177 -1.5372 -1.5372 -1.5154 -1.5154 2.3697 2.3697 2.6973 2.6973 5.6376 5.6376 6.0410 6.0410 6.8593 6.8593 7.0269 7.0269 8.2423 8.2423 9.4537 9.4537 11.6153 11.6153 12.0630 12.0630 12.9234 12.9234 k = 0.5932-0.0270-0.2266 ( 3356 PWs) bands (ev): -4.9388 -4.9388 -4.5615 -4.5615 -4.1598 -4.1598 -3.8544 -3.8544 -3.7536 -3.7536 -3.6658 -3.6658 -2.0966 -2.0966 -1.9718 -1.9718 -1.9215 -1.9215 -1.6192 -1.6192 -1.5387 -1.5387 -1.5162 -1.5162 2.3477 2.3477 2.7101 2.7101 5.7095 5.7095 6.1111 6.1111 6.8871 6.8871 7.0622 7.0622 8.2824 8.2824 9.4350 9.4350 11.6254 11.6254 12.0560 12.0560 12.9384 12.9384 k = 0.5870-0.0163-0.2061 ( 3356 PWs) bands (ev): -4.9590 -4.9590 -4.5435 -4.5435 -4.1617 -4.1617 -3.8756 -3.8756 -3.7554 -3.7554 -3.6708 -3.6708 -2.1019 -2.1019 -1.9738 -1.9738 -1.9317 -1.9317 -1.6207 -1.6207 -1.5404 -1.5404 -1.5167 -1.5167 2.3260 2.3260 2.7205 2.7205 5.7858 5.7858 6.1830 6.1830 6.9138 6.9138 7.0943 7.0943 8.3162 8.3162 9.4028 9.4028 11.6443 11.6443 12.0458 12.0458 12.9679 12.9679 k = 0.5808-0.0056-0.1855 ( 3354 PWs) bands (ev): -4.9783 -4.9783 -4.5250 -4.5250 -4.1634 -4.1634 -3.8976 -3.8976 -3.7570 -3.7570 -3.6750 -3.6750 -2.1072 -2.1072 -1.9758 -1.9758 -1.9405 -1.9405 -1.6221 -1.6221 -1.5421 -1.5421 -1.5170 -1.5170 2.3050 2.3050 2.7287 2.7287 5.8660 5.8660 6.2559 6.2559 6.9396 6.9396 7.1234 7.1234 8.3436 8.3436 9.3579 9.3579 11.6676 11.6676 12.0376 12.0376 13.0092 13.0092 k = 0.5746 0.0052-0.1650 ( 3350 PWs) bands (ev): -4.9966 -4.9966 -4.5061 -4.5061 -4.1648 -4.1648 -3.9203 -3.9203 -3.7585 -3.7585 -3.6786 -3.6786 -2.1125 -2.1125 -1.9779 -1.9779 -1.9479 -1.9479 -1.6235 -1.6235 -1.5439 -1.5439 -1.5170 -1.5170 2.2847 2.2847 2.7352 2.7352 5.9495 5.9495 6.3288 6.3288 6.9649 6.9649 7.1495 7.1495 8.3646 8.3646 9.3017 9.3017 11.6875 11.6875 12.0404 12.0404 13.0590 13.0590 k = 0.5684 0.0159-0.1445 ( 3348 PWs) bands (ev): -5.0138 -5.0138 -4.4866 -4.4866 -4.1661 -4.1661 -3.9435 -3.9435 -3.7598 -3.7598 -3.6816 -3.6816 -2.1178 -2.1178 -1.9803 -1.9803 -1.9540 -1.9540 -1.6249 -1.6249 -1.5455 -1.5455 -1.5170 -1.5170 2.2655 2.2655 2.7400 2.7400 6.0353 6.0353 6.4009 6.4009 6.9898 6.9898 7.1725 7.1725 8.3795 8.3795 9.2361 9.2361 11.6950 11.6950 12.0639 12.0639 13.1133 13.1133 k = 0.5621 0.0267-0.1240 ( 3344 PWs) bands (ev): -5.0298 -5.0298 -4.4668 -4.4668 -4.1674 -4.1674 -3.9669 -3.9669 -3.7611 -3.7611 -3.6842 -3.6842 -2.1229 -2.1229 -1.9828 -1.9828 -1.9587 -1.9587 -1.6262 -1.6262 -1.5471 -1.5471 -1.5168 -1.5168 2.2474 2.2474 2.7436 2.7436 6.1228 6.1228 6.4710 6.4710 7.0149 7.0149 7.1924 7.1924 8.3886 8.3886 9.1633 9.1633 11.6860 11.6860 12.1123 12.1123 13.1683 13.1683 k = 0.5559 0.0374-0.1035 ( 3348 PWs) bands (ev): -5.0446 -5.0446 -4.4466 -4.4466 -4.1686 -4.1686 -3.9904 -3.9904 -3.7622 -3.7622 -3.6863 -3.6863 -2.1278 -2.1278 -1.9854 -1.9854 -1.9624 -1.9624 -1.6274 -1.6274 -1.5486 -1.5486 -1.5166 -1.5166 2.2305 2.2305 2.7460 2.7460 6.2107 6.2107 6.5381 6.5381 7.0405 7.0405 7.2093 7.2093 8.3922 8.3922 9.0854 9.0854 11.6639 11.6639 12.1820 12.1820 13.2197 13.2197 k = 0.5497 0.0482-0.0830 ( 3344 PWs) bands (ev): -5.0579 -5.0579 -4.4261 -4.4261 -4.1699 -4.1699 -4.0138 -4.0138 -3.7632 -3.7632 -3.6882 -3.6882 -2.1325 -2.1325 -1.9881 -1.9881 -1.9652 -1.9652 -1.6286 -1.6286 -1.5500 -1.5500 -1.5163 -1.5163 2.2151 2.2151 2.7476 2.7476 6.2979 6.2979 6.6011 6.6011 7.0670 7.0670 7.2231 7.2231 8.3910 8.3910 9.0048 9.0048 11.6343 11.6343 12.2665 12.2665 13.2636 13.2636 k = 0.5435 0.0589-0.0624 ( 3340 PWs) bands (ev): -5.0699 -5.0699 -4.4054 -4.4054 -4.1714 -4.1714 -4.0368 -4.0368 -3.7641 -3.7641 -3.6897 -3.6897 -2.1367 -2.1367 -1.9906 -1.9906 -1.9672 -1.9672 -1.6296 -1.6296 -1.5512 -1.5512 -1.5161 -1.5161 2.2013 2.2013 2.7485 2.7485 6.3826 6.3826 6.6590 6.6590 7.0944 7.0944 7.2338 7.2338 8.3858 8.3858 8.9239 8.9239 11.6020 11.6020 12.3604 12.3604 13.2963 13.2963 k = 0.5373 0.0697-0.0419 ( 3332 PWs) bands (ev): -5.0803 -5.0803 -4.3846 -4.3846 -4.1732 -4.1732 -4.0590 -4.0590 -3.7649 -3.7649 -3.6909 -3.6909 -2.1406 -2.1406 -1.9928 -1.9928 -1.9687 -1.9687 -1.6305 -1.6305 -1.5522 -1.5522 -1.5158 -1.5158 2.1891 2.1891 2.7489 2.7489 6.4628 6.4628 6.7114 6.7114 7.1225 7.1225 7.2413 7.2413 8.3773 8.3773 8.8450 8.8450 11.5700 11.5700 12.4591 12.4591 13.3150 13.3150 k = 0.5311 0.0804-0.0214 ( 3332 PWs) bands (ev): -5.0892 -5.0892 -4.3639 -4.3639 -4.1757 -4.1757 -4.0801 -4.0801 -3.7656 -3.7656 -3.6919 -3.6919 -2.1439 -2.1439 -1.9948 -1.9948 -1.9698 -1.9698 -1.6313 -1.6313 -1.5531 -1.5531 -1.5156 -1.5156 2.1786 2.1786 2.7490 2.7490 6.5361 6.5361 6.7582 6.7582 7.1507 7.1507 7.2457 7.2457 8.3668 8.3668 8.7708 8.7708 11.5405 11.5405 12.5591 12.5591 13.3189 13.3189 k = 0.5249 0.0912-0.0009 ( 3334 PWs) bands (ev): -5.0966 -5.0966 -4.3437 -4.3437 -4.1795 -4.1795 -4.0990 -4.0990 -3.7662 -3.7662 -3.6928 -3.6928 -2.1467 -2.1467 -1.9964 -1.9964 -1.9707 -1.9707 -1.6320 -1.6320 -1.5539 -1.5539 -1.5154 -1.5154 2.1700 2.1700 2.7489 2.7489 6.5993 6.5993 6.7999 6.7999 7.1775 7.1775 7.2471 7.2471 8.3556 8.3556 8.7040 8.7040 11.5149 11.5149 12.6566 12.6566 13.3092 13.3092 k = 0.5186 0.1019 0.0196 ( 3332 PWs) bands (ev): -5.1024 -5.1024 -4.3244 -4.3244 -4.1850 -4.1850 -4.1147 -4.1147 -3.7666 -3.7666 -3.6934 -3.6934 -2.1489 -2.1489 -1.9977 -1.9977 -1.9712 -1.9712 -1.6326 -1.6326 -1.5544 -1.5544 -1.5152 -1.5152 2.1632 2.1632 2.7487 2.7487 6.6497 6.6497 6.8368 6.8368 7.2009 7.2009 7.2463 7.2463 8.3449 8.3449 8.6477 8.6477 11.4941 11.4941 12.7474 12.7474 13.2883 13.2883 k = 0.5124 0.1127 0.0401 ( 3334 PWs) bands (ev): -5.1065 -5.1065 -4.3071 -4.3071 -4.1923 -4.1923 -4.1260 -4.1260 -3.7670 -3.7670 -3.6938 -3.6938 -2.1506 -2.1506 -1.9986 -1.9986 -1.9716 -1.9716 -1.6330 -1.6330 -1.5548 -1.5548 -1.5151 -1.5151 2.1583 2.1583 2.7485 2.7485 6.6853 6.6853 6.8674 6.8674 7.2181 7.2181 7.2450 7.2450 8.3361 8.3361 8.6046 8.6046 11.4788 11.4788 12.8260 12.8260 13.2610 13.2610 k = 0.5062 0.1234 0.0607 ( 3336 PWs) bands (ev): -5.1090 -5.1090 -4.2941 -4.2941 -4.1997 -4.1997 -4.1324 -4.1324 -3.7672 -3.7672 -3.6941 -3.6941 -2.1515 -2.1515 -1.9991 -1.9991 -1.9719 -1.9719 -1.6332 -1.6332 -1.5551 -1.5551 -1.5150 -1.5150 2.1553 2.1553 2.7483 2.7483 6.7061 6.7061 6.8885 6.8885 7.2264 7.2264 7.2458 7.2458 8.3304 8.3304 8.5775 8.5775 11.4694 11.4694 12.8831 12.8831 13.2354 13.2354 k = 0.5000 0.1342 0.0812 ( 3336 PWs) bands (ev): -5.1098 -5.1098 -4.2890 -4.2890 -4.2030 -4.2030 -4.1344 -4.1344 -3.7672 -3.7672 -3.6941 -3.6941 -2.1519 -2.1519 -1.9993 -1.9993 -1.9720 -1.9720 -1.6333 -1.6333 -1.5552 -1.5552 -1.5150 -1.5150 2.1543 2.1543 2.7483 2.7483 6.7129 6.7129 6.8961 6.8961 7.2280 7.2280 7.2471 7.2471 8.3284 8.3284 8.5683 8.5683 11.4662 11.4662 12.9049 12.9049 13.2241 13.2241 k = 0.5000 0.1342 0.0812 ( 3336 PWs) bands (ev): -5.1098 -5.1098 -4.2890 -4.2890 -4.2030 -4.2030 -4.1344 -4.1344 -3.7672 -3.7672 -3.6941 -3.6941 -2.1519 -2.1519 -1.9993 -1.9993 -1.9720 -1.9720 -1.6333 -1.6333 -1.5552 -1.5552 -1.5150 -1.5150 2.1543 2.1543 2.7483 2.7483 6.7129 6.7129 6.8961 6.8961 7.2280 7.2280 7.2471 7.2471 8.3284 8.3284 8.5683 8.5683 11.4662 11.4662 12.9049 12.9049 13.2241 13.2241 k = 0.4773 0.1281 0.0775 ( 3336 PWs) bands (ev): -5.1106 -5.1106 -4.2878 -4.2878 -4.2030 -4.2030 -4.1344 -4.1344 -3.7672 -3.7672 -3.6942 -3.6942 -2.1519 -2.1519 -1.9993 -1.9993 -1.9720 -1.9720 -1.6333 -1.6333 -1.5552 -1.5552 -1.5150 -1.5150 2.1379 2.1379 2.7674 2.7674 6.7122 6.7122 6.8955 6.8955 7.2288 7.2288 7.2478 7.2478 8.2795 8.2795 8.6153 8.6153 11.4618 11.4618 12.9089 12.9089 13.2185 13.2185 k = 0.4545 0.1220 0.0738 ( 3336 PWs) bands (ev): -5.1129 -5.1129 -4.2841 -4.2841 -4.2030 -4.2030 -4.1344 -4.1344 -3.7672 -3.7672 -3.6942 -3.6942 -2.1520 -2.1520 -1.9993 -1.9993 -1.9722 -1.9722 -1.6332 -1.6332 -1.5551 -1.5551 -1.5150 -1.5150 2.0937 2.0937 2.8194 2.8194 6.7102 6.7102 6.8939 6.8939 7.2313 7.2313 7.2498 7.2498 8.1811 8.1811 8.7083 8.7083 11.4486 11.4486 12.9199 12.9199 13.2034 13.2034 k = 0.4318 0.1159 0.0701 ( 3330 PWs) bands (ev): -5.1166 -5.1166 -4.2781 -4.2781 -4.2030 -4.2030 -4.1342 -4.1342 -3.7672 -3.7672 -3.6943 -3.6943 -2.1521 -2.1521 -1.9993 -1.9993 -1.9725 -1.9725 -1.6331 -1.6331 -1.5551 -1.5551 -1.5150 -1.5150 2.0323 2.0323 2.8940 2.8940 6.7070 6.7070 6.8913 6.8913 7.2352 7.2352 7.2530 7.2530 8.0687 8.0687 8.8118 8.8118 11.4273 11.4273 12.9343 12.9343 13.1842 13.1842 k = 0.4091 0.1098 0.0664 ( 3333 PWs) bands (ev): -5.1216 -5.1216 -4.2699 -4.2699 -4.2030 -4.2030 -4.1341 -4.1341 -3.7672 -3.7672 -3.6944 -3.6944 -2.1523 -2.1523 -1.9992 -1.9992 -1.9729 -1.9729 -1.6330 -1.6330 -1.5551 -1.5551 -1.5149 -1.5149 1.9618 1.9618 2.9829 2.9829 6.7026 6.7026 6.8878 6.8878 7.2406 7.2406 7.2574 7.2574 7.9508 7.9508 8.9172 8.9172 11.3988 11.3988 12.9444 12.9444 13.1704 13.1704 k = 0.3864 0.1037 0.0627 ( 3330 PWs) bands (ev): -5.1278 -5.1278 -4.2597 -4.2597 -4.2031 -4.2031 -4.1339 -4.1339 -3.7672 -3.7672 -3.6945 -3.6945 -2.1526 -2.1526 -1.9992 -1.9992 -1.9734 -1.9734 -1.6329 -1.6329 -1.5550 -1.5550 -1.5149 -1.5149 1.8875 1.8875 3.0809 3.0809 6.6971 6.6971 6.8836 6.8836 7.2472 7.2472 7.2628 7.2628 7.8302 7.8302 9.0220 9.0220 11.3642 11.3642 12.9397 12.9397 13.1744 13.1744 k = 0.3636 0.0976 0.0590 ( 3324 PWs) bands (ev): -5.1350 -5.1350 -4.2480 -4.2480 -4.2031 -4.2031 -4.1336 -4.1336 -3.7672 -3.7672 -3.6947 -3.6947 -2.1529 -2.1529 -1.9992 -1.9992 -1.9740 -1.9740 -1.6327 -1.6327 -1.5549 -1.5549 -1.5149 -1.5149 1.8122 1.8122 3.1850 3.1850 6.6906 6.6906 6.8787 6.8787 7.2548 7.2548 7.2689 7.2689 7.7079 7.7079 9.1253 9.1253 11.3246 11.3246 12.9155 12.9155 13.2016 13.2016 k = 0.3409 0.0915 0.0553 ( 3326 PWs) bands (ev): -5.1428 -5.1428 -4.2349 -4.2349 -4.2031 -4.2031 -4.1331 -4.1331 -3.7672 -3.7672 -3.6949 -3.6949 -2.1532 -2.1532 -1.9991 -1.9991 -1.9747 -1.9747 -1.6325 -1.6325 -1.5548 -1.5548 -1.5148 -1.5148 1.7379 1.7379 3.2934 3.2934 6.6833 6.6833 6.8733 6.8733 7.2632 7.2632 7.2758 7.2758 7.5847 7.5847 9.2264 9.2264 11.2809 11.2809 12.8775 12.8775 13.2474 13.2474 k = 0.3182 0.0854 0.0517 ( 3320 PWs) bands (ev): -5.1512 -5.1512 -4.2209 -4.2209 -4.2031 -4.2031 -4.1325 -4.1325 -3.7672 -3.7672 -3.6951 -3.6951 -2.1536 -2.1536 -1.9991 -1.9991 -1.9754 -1.9754 -1.6323 -1.6323 -1.5547 -1.5547 -1.5147 -1.5147 1.6657 1.6657 3.4048 3.4048 6.6751 6.6751 6.8677 6.8677 7.2718 7.2718 7.2831 7.2831 7.4616 7.4616 9.3252 9.3252 11.2341 11.2341 12.8323 12.8323 13.3051 13.3051 k = 0.2955 0.0793 0.0480 ( 3317 PWs) bands (ev): -5.1599 -5.1599 -4.2064 -4.2064 -4.2031 -4.2031 -4.1316 -4.1316 -3.7673 -3.7673 -3.6953 -3.6953 -2.1540 -2.1540 -1.9990 -1.9990 -1.9762 -1.9762 -1.6321 -1.6321 -1.5546 -1.5546 -1.5147 -1.5147 1.5963 1.5963 3.5183 3.5183 6.6661 6.6661 6.8618 6.8618 7.2785 7.2785 7.2907 7.2907 7.3411 7.3411 9.4215 9.4215 11.1848 11.1848 12.7842 12.7842 13.3703 13.3703 k = 0.2727 0.0732 0.0443 ( 3311 PWs) bands (ev): -5.1688 -5.1688 -4.2032 -4.2032 -4.1919 -4.1919 -4.1303 -4.1303 -3.7673 -3.7673 -3.6956 -3.6956 -2.1545 -2.1545 -1.9990 -1.9990 -1.9771 -1.9771 -1.6318 -1.6318 -1.5545 -1.5545 -1.5146 -1.5146 1.5303 1.5303 3.6333 3.6333 6.6560 6.6560 6.8559 6.8559 7.2112 7.2112 7.2958 7.2958 7.2984 7.2984 9.5151 9.5151 11.1337 11.1337 12.7359 12.7359 13.4403 13.4403 k = 0.2500 0.0671 0.0406 ( 3314 PWs) bands (ev): -5.1776 -5.1776 -4.2032 -4.2032 -4.1781 -4.1781 -4.1281 -4.1281 -3.7673 -3.7673 -3.6959 -3.6959 -2.1549 -2.1549 -1.9989 -1.9989 -1.9780 -1.9780 -1.6316 -1.6316 -1.5544 -1.5544 -1.5146 -1.5146 1.4683 1.4683 3.7490 3.7490 6.6441 6.6441 6.8501 6.8501 7.0930 7.0930 7.3038 7.3038 7.3060 7.3060 9.6059 9.6059 11.0811 11.0811 12.6887 12.6887 13.5132 13.5132 k = 0.2273 0.0610 0.0369 ( 3311 PWs) bands (ev): -5.1861 -5.1861 -4.2032 -4.2032 -4.1659 -4.1659 -4.1244 -4.1244 -3.7673 -3.7673 -3.6962 -3.6962 -2.1554 -2.1554 -1.9988 -1.9988 -1.9789 -1.9789 -1.6313 -1.6313 -1.5543 -1.5543 -1.5145 -1.5145 1.4106 1.4106 3.8647 3.8647 6.6291 6.6291 6.8445 6.8445 6.9777 6.9777 7.3131 7.3131 7.3135 7.3135 9.6939 9.6939 11.0275 11.0275 12.6435 12.6435 13.5703 13.5876 k = 0.2045 0.0549 0.0332 ( 3323 PWs) bands (ev): -5.1943 -5.1943 -4.2033 -4.2033 -4.1565 -4.1565 -4.1185 -4.1185 -3.7673 -3.7673 -3.6966 -3.6966 -2.1559 -2.1559 -1.9988 -1.9988 -1.9798 -1.9798 -1.6311 -1.6311 -1.5543 -1.5543 -1.5145 -1.5145 1.3574 1.3574 3.9798 3.9798 6.6074 6.6074 6.8391 6.8391 6.8708 6.8708 7.3207 7.3207 7.3222 7.3222 9.7791 9.7791 10.9731 10.9731 12.6012 12.6012 13.5276 13.5276 k = 0.1818 0.0488 0.0295 ( 3359 PWs) bands (ev): -5.2019 -5.2019 -4.2033 -4.2033 -4.1504 -4.1504 -4.1100 -4.1100 -3.7673 -3.7673 -3.6970 -3.6970 -2.1564 -2.1564 -1.9988 -1.9988 -1.9808 -1.9808 -1.6309 -1.6309 -1.5542 -1.5542 -1.5144 -1.5144 1.3091 1.3091 4.0933 4.0933 6.5706 6.5706 6.7818 6.7818 6.8341 6.8341 7.3275 7.3275 7.3309 7.3309 9.8614 9.8614 10.9181 10.9181 12.5622 12.5622 13.4888 13.4888 k = 0.1591 0.0427 0.0258 ( 3353 PWs) bands (ev): -5.2089 -5.2089 -4.2034 -4.2034 -4.1467 -4.1467 -4.1000 -4.1000 -3.7674 -3.7674 -3.6973 -3.6973 -2.1568 -2.1568 -1.9987 -1.9987 -1.9816 -1.9816 -1.6307 -1.6307 -1.5541 -1.5541 -1.5144 -1.5144 1.2660 1.2660 4.2041 4.2041 6.5087 6.5087 6.7220 6.7220 6.8295 6.8295 7.3337 7.3337 7.3390 7.3390 9.9409 9.9409 10.8625 10.8625 12.5269 12.5269 13.4542 13.4542 k = 0.1364 0.0366 0.0221 ( 3353 PWs) bands (ev): -5.2152 -5.2152 -4.2034 -4.2034 -4.1446 -4.1446 -4.0898 -4.0898 -3.7674 -3.7674 -3.6976 -3.6976 -2.1572 -2.1572 -1.9987 -1.9987 -1.9824 -1.9824 -1.6305 -1.6305 -1.5541 -1.5541 -1.5143 -1.5143 1.2281 1.2281 4.3106 4.3106 6.4252 6.4252 6.6894 6.6894 6.8254 6.8254 7.3393 7.3393 7.3464 7.3464 10.0176 10.0176 10.8065 10.8065 12.4958 12.4958 13.4239 13.4239 k = 0.1136 0.0305 0.0184 ( 3347 PWs) bands (ev): -5.2206 -5.2206 -4.2034 -4.2034 -4.1433 -4.1433 -4.0802 -4.0802 -3.7674 -3.7674 -3.6979 -3.6979 -2.1576 -2.1576 -1.9987 -1.9987 -1.9831 -1.9831 -1.6303 -1.6303 -1.5540 -1.5540 -1.5143 -1.5143 1.1958 1.1958 4.4109 4.4109 6.3346 6.3346 6.6714 6.6714 6.8219 6.8219 7.3442 7.3442 7.3527 7.3527 10.0914 10.0914 10.7501 10.7501 12.4689 12.4689 13.3980 13.3980 k = 0.0909 0.0244 0.0148 ( 3347 PWs) bands (ev): -5.2251 -5.2251 -4.2034 -4.2034 -4.1425 -4.1425 -4.0718 -4.0718 -3.7674 -3.7674 -3.6982 -3.6982 -2.1579 -2.1579 -1.9986 -1.9986 -1.9837 -1.9837 -1.6302 -1.6302 -1.5540 -1.5540 -1.5143 -1.5143 1.1691 1.1691 4.5023 4.5023 6.2473 6.2473 6.6606 6.6606 6.8190 6.8190 7.3482 7.3482 7.3581 7.3581 10.1623 10.1623 10.6935 10.6935 12.4467 12.4467 13.3767 13.3767 k = 0.0682 0.0183 0.0111 ( 3347 PWs) bands (ev): -5.2287 -5.2287 -4.2034 -4.2034 -4.1420 -4.1420 -4.0650 -4.0650 -3.7674 -3.7674 -3.6985 -3.6985 -2.1581 -2.1581 -1.9986 -1.9986 -1.9842 -1.9842 -1.6301 -1.6301 -1.5539 -1.5539 -1.5142 -1.5142 1.1482 1.1482 4.5812 4.5812 6.1701 6.1701 6.6536 6.6536 6.8166 6.8166 7.3515 7.3515 7.3624 7.3624 10.2298 10.2298 10.6370 10.6370 12.4292 12.4292 13.3600 13.3600 k = 0.0455 0.0122 0.0074 ( 3341 PWs) bands (ev): -5.2313 -5.2313 -4.2034 -4.2034 -4.1417 -4.1417 -4.0600 -4.0600 -3.7674 -3.7674 -3.6986 -3.6986 -2.1583 -2.1583 -1.9986 -1.9986 -1.9845 -1.9845 -1.6300 -1.6300 -1.5539 -1.5539 -1.5142 -1.5142 1.1332 1.1332 4.6431 4.6431 6.1089 6.1089 6.6492 6.6492 6.8150 6.8150 7.3538 7.3538 7.3655 7.3655 10.2928 10.2928 10.5819 10.5819 12.4166 12.4166 13.3481 13.3481 k = 0.0227 0.0061 0.0037 ( 3335 PWs) bands (ev): -5.2329 -5.2329 -4.2034 -4.2034 -4.1415 -4.1415 -4.0570 -4.0570 -3.7674 -3.7674 -3.6987 -3.6987 -2.1584 -2.1584 -1.9986 -1.9986 -1.9847 -1.9847 -1.6299 -1.6299 -1.5539 -1.5539 -1.5142 -1.5142 1.1242 1.1242 4.6830 4.6830 6.0692 6.0692 6.6467 6.6467 6.8139 6.8139 7.3552 7.3552 7.3674 7.3674 10.3467 10.3467 10.5328 10.5328 12.4090 12.4090 13.3409 13.3409 k = 0.0000 0.0000 0.0000 ( 3341 PWs) bands (ev): -5.2334 -5.2334 -4.2035 -4.2035 -4.1415 -4.1415 -4.0559 -4.0559 -3.7674 -3.7674 -3.6988 -3.6988 -2.1585 -2.1585 -1.9986 -1.9986 -1.9848 -1.9848 -1.6299 -1.6299 -1.5539 -1.5539 -1.5142 -1.5142 1.1212 1.1212 4.6968 4.6968 6.0554 6.0554 6.6459 6.6459 6.8136 6.8136 7.3557 7.3557 7.3680 7.3680 10.3728 10.3728 10.5083 10.5083 12.4065 12.4065 13.3385 13.3385 k = 0.0000 0.0000 0.0000 ( 3341 PWs) bands (ev): -5.2334 -5.2334 -4.2035 -4.2035 -4.1415 -4.1415 -4.0559 -4.0559 -3.7674 -3.7674 -3.6988 -3.6988 -2.1585 -2.1585 -1.9986 -1.9986 -1.9848 -1.9848 -1.6299 -1.6299 -1.5539 -1.5539 -1.5142 -1.5142 1.1212 1.1212 4.6968 4.6968 6.0554 6.0554 6.6459 6.6459 6.8136 6.8136 7.3557 7.3557 7.3680 7.3680 10.3728 10.3728 10.5083 10.5083 12.4065 12.4065 13.3385 13.3385 k = 0.0062-0.0107-0.0205 ( 3341 PWs) bands (ev): -5.2325 -5.2325 -4.2059 -4.2059 -4.1450 -4.1450 -4.0503 -4.0503 -3.7672 -3.7672 -3.6984 -3.6984 -2.1580 -2.1580 -1.9983 -1.9983 -1.9847 -1.9847 -1.6298 -1.6298 -1.5538 -1.5538 -1.5142 -1.5142 1.1224 1.1224 4.6910 4.6910 6.0563 6.0563 6.6471 6.6471 6.8150 6.8150 7.3512 7.3512 7.3648 7.3648 10.3626 10.3626 10.5193 10.5193 12.4115 12.4115 13.3418 13.3418 k = 0.0124-0.0215-0.0410 ( 3341 PWs) bands (ev): -5.2296 -5.2296 -4.2137 -4.2137 -4.1524 -4.1524 -4.0364 -4.0364 -3.7665 -3.7665 -3.6975 -3.6975 -2.1566 -2.1566 -1.9976 -1.9976 -1.9844 -1.9844 -1.6296 -1.6296 -1.5535 -1.5535 -1.5141 -1.5141 1.1260 1.1260 4.6739 4.6739 6.0588 6.0588 6.6501 6.6501 6.8194 6.8194 7.3341 7.3341 7.3592 7.3592 10.3363 10.3363 10.5484 10.5484 12.4262 12.4262 13.3517 13.3517 k = 0.0186-0.0322-0.0615 ( 3343 PWs) bands (ev): -5.2249 -5.2249 -4.2272 -4.2272 -4.1590 -4.1590 -4.0186 -4.0186 -3.7654 -3.7654 -3.6958 -3.6958 -2.1543 -2.1543 -1.9963 -1.9963 -1.9839 -1.9839 -1.6291 -1.6291 -1.5531 -1.5531 -1.5140 -1.5140 1.1321 1.1321 4.6458 4.6458 6.0627 6.0627 6.6534 6.6534 6.8274 6.8274 7.3037 7.3037 7.3530 7.3530 10.2993 10.2993 10.5899 10.5899 12.4503 12.4503 13.3681 13.3681 k = 0.0248-0.0430-0.0820 ( 3344 PWs) bands (ev): -5.2182 -5.2182 -4.2455 -4.2455 -4.1632 -4.1632 -3.9993 -3.9993 -3.7640 -3.7640 -3.6934 -3.6934 -2.1512 -2.1512 -1.9946 -1.9946 -1.9830 -1.9830 -1.6285 -1.6285 -1.5524 -1.5524 -1.5139 -1.5139 1.1405 1.1405 4.6077 4.6077 6.0679 6.0679 6.6551 6.6551 6.8394 6.8394 7.2624 7.2624 7.3459 7.3459 10.2541 10.2541 10.6415 10.6415 12.4828 12.4828 13.3905 13.3905 k = 0.0310-0.0537-0.1025 ( 3342 PWs) bands (ev): -5.2097 -5.2097 -4.2669 -4.2669 -4.1656 -4.1656 -3.9798 -3.9798 -3.7621 -3.7621 -3.6900 -3.6900 -2.1473 -2.1473 -1.9925 -1.9925 -1.9818 -1.9818 -1.6278 -1.6278 -1.5516 -1.5516 -1.5136 -1.5136 1.1514 1.1514 4.5606 4.5606 6.0739 6.0739 6.6532 6.6532 6.8551 6.8551 7.2127 7.2127 7.3382 7.3382 10.2022 10.2022 10.7018 10.7018 12.5228 12.5228 13.4184 13.4184 k = 0.0373-0.0644-0.1230 ( 3332 PWs) bands (ev): -5.1994 -5.1994 -4.2899 -4.2899 -4.1669 -4.1669 -3.9610 -3.9610 -3.7600 -3.7600 -3.6855 -3.6855 -2.1427 -2.1427 -1.9902 -1.9902 -1.9799 -1.9799 -1.6269 -1.6269 -1.5506 -1.5506 -1.5133 -1.5133 1.1648 1.1648 4.5056 4.5056 6.0802 6.0802 6.6463 6.6463 6.8727 6.8727 7.1571 7.1571 7.3312 7.3312 10.1448 10.1448 10.7695 10.7695 12.5694 12.5694 13.4511 13.4511 k = 0.0435-0.0752-0.1435 ( 3334 PWs) bands (ev): -5.1873 -5.1873 -4.3139 -4.3139 -4.1675 -4.1675 -3.9432 -3.9432 -3.7576 -3.7576 -3.6798 -3.6798 -2.1376 -2.1376 -1.9879 -1.9879 -1.9771 -1.9771 -1.6258 -1.6258 -1.5494 -1.5494 -1.5127 -1.5127 1.1805 1.1805 4.4436 4.4436 6.0861 6.0861 6.6336 6.6336 6.8889 6.8889 7.0988 7.0988 7.3268 7.3268 10.0831 10.0831 10.8433 10.8433 12.6214 12.6214 13.4874 13.4874 k = 0.0497-0.0859-0.1640 ( 3334 PWs) bands (ev): -5.1734 -5.1734 -4.3384 -4.3384 -4.1677 -4.1677 -3.9269 -3.9269 -3.7550 -3.7550 -3.6726 -3.6726 -2.1320 -2.1320 -1.9859 -1.9859 -1.9731 -1.9731 -1.6246 -1.6246 -1.5481 -1.5481 -1.5120 -1.5120 1.1987 1.1987 4.3758 4.3758 6.0905 6.0905 6.6145 6.6145 6.8986 6.8986 7.0422 7.0422 7.3276 7.3276 10.0186 10.0186 10.9217 10.9217 12.6779 12.6779 13.5247 13.5247 k = 0.0559-0.0966-0.1845 ( 3332 PWs) bands (ev): -5.1578 -5.1578 -4.3629 -4.3629 -4.1675 -4.1675 -3.9121 -3.9121 -3.7525 -3.7525 -3.6639 -3.6639 -2.1262 -2.1262 -1.9841 -1.9841 -1.9678 -1.9678 -1.6232 -1.6232 -1.5466 -1.5466 -1.5110 -1.5110 1.2194 1.2194 4.3031 4.3031 6.0919 6.0919 6.5886 6.5886 6.8955 6.8955 6.9926 6.9926 7.3365 7.3365 9.9527 9.9527 11.0033 11.0033 12.7373 12.7373 13.5521 13.5521 k = 0.0621-0.1074-0.2050 ( 3338 PWs) bands (ev): -5.1405 -5.1405 -4.3874 -4.3874 -4.1671 -4.1671 -3.8991 -3.8991 -3.7500 -3.7500 -3.6535 -3.6535 -2.1203 -2.1203 -1.9825 -1.9825 -1.9612 -1.9612 -1.6218 -1.6218 -1.5450 -1.5450 -1.5095 -1.5095 1.2425 1.2425 4.2264 4.2264 6.0883 6.0883 6.5561 6.5561 6.8753 6.8753 6.9545 6.9545 7.3553 7.3553 9.8866 9.8866 11.0868 11.0868 12.7979 12.7979 13.5239 13.5239 k = 0.0683-0.1181-0.2255 ( 3344 PWs) bands (ev): -5.1216 -5.1216 -4.4118 -4.4118 -4.1665 -4.1665 -3.8877 -3.8877 -3.7476 -3.7476 -3.6415 -3.6415 -2.1143 -2.1143 -1.9809 -1.9809 -1.9535 -1.9535 -1.6201 -1.6201 -1.5434 -1.5434 -1.5076 -1.5076 1.2681 1.2681 4.1465 4.1465 6.0767 6.0767 6.5189 6.5189 6.8438 6.8438 6.9231 6.9231 7.3842 7.3842 9.8215 9.8215 11.1709 11.1709 12.8560 12.8560 13.4457 13.4457 k = 0.0745-0.1289-0.2460 ( 3340 PWs) bands (ev): -5.1012 -5.1012 -4.4358 -4.4358 -4.1656 -4.1656 -3.8779 -3.8779 -3.7455 -3.7455 -3.6280 -3.6280 -2.1084 -2.1084 -1.9793 -1.9793 -1.9448 -1.9448 -1.6184 -1.6184 -1.5418 -1.5418 -1.5051 -1.5051 1.2962 1.2962 4.0640 4.0640 6.0538 6.0538 6.4807 6.4807 6.8097 6.8097 6.8910 6.8910 7.4216 7.4216 9.7585 9.7585 11.2544 11.2544 12.9043 12.9043 13.3635 13.3635 k = 0.0807-0.1396-0.2665 ( 3342 PWs) bands (ev): -5.0794 -5.0794 -4.4594 -4.4594 -4.1646 -4.1646 -3.8696 -3.8696 -3.7435 -3.7435 -3.6134 -3.6134 -2.1028 -2.1028 -1.9777 -1.9777 -1.9351 -1.9351 -1.6165 -1.6165 -1.5403 -1.5403 -1.5018 -1.5018 1.3267 1.3267 3.9796 3.9796 6.0164 6.0164 6.4456 6.4456 6.7744 6.7744 6.8581 6.8581 7.4654 7.4654 9.6985 9.6985 11.3364 11.3364 12.9259 12.9259 13.3020 13.3020 k = 0.0869-0.1503-0.2870 ( 3344 PWs) bands (ev): -5.0562 -5.0562 -4.4825 -4.4825 -4.1633 -4.1633 -3.8625 -3.8625 -3.7417 -3.7417 -3.5978 -3.5978 -2.0973 -2.0973 -1.9760 -1.9760 -1.9245 -1.9245 -1.6144 -1.6144 -1.5389 -1.5389 -1.4976 -1.4976 1.3596 1.3596 3.8939 3.8939 5.9636 5.9636 6.4161 6.4161 6.7328 6.7328 6.8299 6.8299 7.5135 7.5135 9.6423 9.6423 11.4159 11.4159 12.8980 12.8980 13.2857 13.2857 k = 0.0931-0.1611-0.3075 ( 3344 PWs) bands (ev): -5.0317 -5.0317 -4.5051 -4.5051 -4.1617 -4.1617 -3.8565 -3.8565 -3.7401 -3.7401 -3.5815 -3.5815 -2.0922 -2.0922 -1.9741 -1.9741 -1.9133 -1.9133 -1.6122 -1.6122 -1.5376 -1.5376 -1.4924 -1.4924 1.3950 1.3950 3.8072 3.8072 5.8967 5.8967 6.3918 6.3918 6.6809 6.6809 6.8114 6.8114 7.5643 7.5643 9.5906 9.5906 11.4920 11.4920 12.8210 12.8210 13.3143 13.3143 k = 0.0994-0.1718-0.3280 ( 3348 PWs) bands (ev): -5.0061 -5.0061 -4.5272 -4.5272 -4.1598 -4.1598 -3.8514 -3.8514 -3.7386 -3.7386 -3.5648 -3.5648 -2.0873 -2.0873 -1.9722 -1.9722 -1.9015 -1.9015 -1.6099 -1.6099 -1.5365 -1.5365 -1.4861 -1.4861 1.4328 1.4328 3.7201 3.7201 5.8191 5.8191 6.3699 6.3699 6.6194 6.6194 6.8028 6.8028 7.6163 7.6163 9.5439 9.5439 11.5635 11.5635 12.7167 12.7167 13.3656 13.3656 k = 0.1056-0.1826-0.3485 ( 3358 PWs) bands (ev): -4.9795 -4.9795 -4.5486 -4.5486 -4.1576 -4.1576 -3.8470 -3.8470 -3.7372 -3.7372 -3.5478 -3.5478 -2.0828 -2.0828 -1.9702 -1.9702 -1.8894 -1.8894 -1.6074 -1.6074 -1.5355 -1.5355 -1.4786 -1.4786 1.4730 1.4730 3.6330 3.6330 5.7339 5.7339 6.3472 6.3472 6.5510 6.5510 6.8025 6.8025 7.6686 7.6686 9.5027 9.5027 11.6292 11.6292 12.6005 12.6005 13.4228 13.4228 k = 0.1118-0.1933-0.3690 ( 3360 PWs) bands (ev): -4.9521 -4.9521 -4.5693 -4.5693 -4.1549 -4.1549 -3.8432 -3.8432 -3.7359 -3.7359 -3.5309 -3.5309 -2.0784 -2.0784 -1.9681 -1.9681 -1.8773 -1.8773 -1.6048 -1.6048 -1.5347 -1.5347 -1.4700 -1.4700 1.5155 1.5155 3.5462 3.5462 5.6439 5.6439 6.3197 6.3197 6.4792 6.4792 6.8091 6.8091 7.7203 7.7203 9.4672 9.4672 11.6870 11.6870 12.4806 12.4806 13.4733 13.4733 k = 0.1180-0.2040-0.3895 ( 3370 PWs) bands (ev): -4.9240 -4.9240 -4.5892 -4.5892 -4.1518 -4.1518 -3.8399 -3.8399 -3.7346 -3.7346 -3.5142 -3.5142 -2.0742 -2.0742 -1.9659 -1.9659 -1.8652 -1.8652 -1.6020 -1.6020 -1.5339 -1.5339 -1.4601 -1.4601 1.5603 1.5603 3.4602 3.4602 5.5513 5.5513 6.2823 6.2823 6.4093 6.4093 6.8215 6.8215 7.7708 7.7708 9.4379 9.4379 11.7330 11.7330 12.3634 12.3634 13.4951 13.4951 k = 0.1242-0.2148-0.4100 ( 3368 PWs) bands (ev): -4.8954 -4.8954 -4.6084 -4.6084 -4.1481 -4.1481 -3.8370 -3.8370 -3.7334 -3.7334 -3.4977 -3.4977 -2.0702 -2.0702 -1.9637 -1.9637 -1.8535 -1.8535 -1.5991 -1.5991 -1.5331 -1.5331 -1.4489 -1.4489 1.6071 1.6071 3.3753 3.3753 5.4575 5.4575 6.2274 6.2274 6.3490 6.3490 6.8387 6.8387 7.8195 7.8195 9.4147 9.4147 11.7601 11.7601 12.2576 12.2576 13.4528 13.4528 k = 0.1304-0.2255-0.4305 ( 3372 PWs) bands (ev): -4.8667 -4.8667 -4.6267 -4.6267 -4.1438 -4.1438 -3.8344 -3.8344 -3.7322 -3.7322 -3.4817 -3.4817 -2.0662 -2.0662 -1.9613 -1.9613 -1.8423 -1.8423 -1.5961 -1.5961 -1.5324 -1.5324 -1.4364 -1.4364 1.6560 1.6560 3.2918 3.2918 5.3636 5.3636 6.1530 6.1530 6.3009 6.3009 6.8595 6.8595 7.8658 7.8658 9.3980 9.3980 11.7551 11.7551 12.1765 12.1765 13.3638 13.3638 k = 0.1366-0.2362-0.4510 ( 3372 PWs) bands (ev): -4.8379 -4.8379 -4.6441 -4.6441 -4.1387 -4.1387 -3.8321 -3.8321 -3.7309 -3.7309 -3.4661 -3.4661 -2.0623 -2.0623 -1.9588 -1.9588 -1.8318 -1.8318 -1.5929 -1.5929 -1.5316 -1.5316 -1.4227 -1.4227 1.7067 1.7067 3.2103 3.2103 5.2707 5.2707 6.0656 6.0656 6.2591 6.2591 6.8830 6.8830 7.9092 7.9092 9.3878 9.3878 11.7056 11.7056 12.1328 12.1328 13.2623 13.2623 k = 0.1428-0.2470-0.4715 ( 3364 PWs) bands (ev): -4.8096 -4.8096 -4.6605 -4.6605 -4.1326 -4.1326 -3.8301 -3.8301 -3.7296 -3.7296 -3.4512 -3.4512 -2.0584 -2.0584 -1.9563 -1.9563 -1.8220 -1.8220 -1.5897 -1.5897 -1.5308 -1.5308 -1.4079 -1.4079 1.7589 1.7589 3.1310 3.1310 5.1793 5.1793 5.9712 5.9712 6.2187 6.2187 6.9084 6.9084 7.9494 7.9494 9.3840 9.3840 11.6168 11.6168 12.1209 12.1209 13.1614 13.1614 k = 0.1490-0.2577-0.4920 ( 3372 PWs) bands (ev): -4.7822 -4.7822 -4.6755 -4.6755 -4.1256 -4.1256 -3.8282 -3.8282 -3.7283 -3.7283 -3.4369 -3.4369 -2.0544 -2.0544 -1.9537 -1.9537 -1.8131 -1.8131 -1.5865 -1.5865 -1.5300 -1.5300 -1.3920 -1.3920 1.8123 1.8123 3.0546 3.0546 5.0900 5.0900 5.8726 5.8726 6.1775 6.1775 6.9347 6.9347 7.9860 7.9860 9.3866 9.3866 11.5052 11.5052 12.1237 12.1237 13.0660 13.0660 k = 0.1552-0.2685-0.5125 ( 3374 PWs) bands (ev): -4.7567 -4.7567 -4.6885 -4.6885 -4.1174 -4.1174 -3.8265 -3.8265 -3.7268 -3.7268 -3.4233 -3.4233 -2.0502 -2.0502 -1.9510 -1.9510 -1.8050 -1.8050 -1.5833 -1.5833 -1.5290 -1.5290 -1.3752 -1.3752 1.8663 1.8663 2.9817 2.9817 5.0034 5.0034 5.7715 5.7715 6.1346 6.1346 6.9613 6.9613 8.0187 8.0187 9.3956 9.3956 11.3830 11.3830 12.1284 12.1284 12.9788 12.9788 k = 0.1615-0.2792-0.5330 ( 3374 PWs) bands (ev): -4.7369 -4.7369 -4.6960 -4.6960 -4.1079 -4.1079 -3.8250 -3.8250 -3.7251 -3.7251 -3.4104 -3.4104 -2.0459 -2.0459 -1.9483 -1.9483 -1.7978 -1.7978 -1.5802 -1.5802 -1.5280 -1.5280 -1.3578 -1.3578 1.9202 1.9202 2.9132 2.9132 4.9199 4.9199 5.6688 5.6688 6.0898 6.0898 6.9874 6.9874 8.0472 8.0472 9.4106 9.4106 11.2565 11.2565 12.1281 12.1281 12.9013 12.9013 k = 0.1677-0.2899-0.5535 ( 3378 PWs) bands (ev): -4.7324 -4.7324 -4.6887 -4.6887 -4.0969 -4.0969 -3.8236 -3.8236 -3.7233 -3.7233 -3.3982 -3.3982 -2.0413 -2.0413 -1.9455 -1.9455 -1.7914 -1.7914 -1.5771 -1.5771 -1.5269 -1.5269 -1.3399 -1.3399 1.9728 1.9728 2.8502 2.8502 4.8398 4.8398 5.5655 5.5655 6.0431 6.0431 7.0123 7.0123 8.0715 8.0715 9.4314 9.4314 11.1290 11.1290 12.1197 12.1197 12.8339 12.8339 k = 0.1739-0.3007-0.5740 ( 3380 PWs) bands (ev): -4.7398 -4.7398 -4.6703 -4.6703 -4.0844 -4.0844 -3.8223 -3.8223 -3.7212 -3.7212 -3.3869 -3.3869 -2.0365 -2.0365 -1.9428 -1.9428 -1.7857 -1.7857 -1.5741 -1.5741 -1.5257 -1.5257 -1.3218 -1.3218 2.0225 2.0225 2.7944 2.7944 4.7634 4.7634 5.4622 5.4622 5.9945 5.9945 7.0354 7.0354 8.0915 8.0915 9.4573 9.4573 11.0025 11.0025 12.1025 12.1025 12.7758 12.7758 k = 0.1801-0.3114-0.5945 ( 3376 PWs) bands (ev): -4.7494 -4.7494 -4.6505 -4.6505 -4.0704 -4.0704 -3.8210 -3.8210 -3.7188 -3.7188 -3.3763 -3.3763 -2.0313 -2.0313 -1.9399 -1.9399 -1.7808 -1.7808 -1.5712 -1.5712 -1.5243 -1.5243 -1.3037 -1.3037 2.0667 2.0667 2.7484 2.7484 4.6911 4.6911 5.3595 5.3595 5.9440 5.9440 7.0563 7.0563 8.1072 8.1072 9.4877 9.4877 10.8784 10.8784 12.0775 12.0775 12.7250 12.7250 k = 0.1863-0.3222-0.6150 ( 3376 PWs) bands (ev): -4.7590 -4.7590 -4.6320 -4.6320 -4.0548 -4.0548 -3.8199 -3.8199 -3.7160 -3.7160 -3.3666 -3.3666 -2.0257 -2.0257 -1.9371 -1.9371 -1.7764 -1.7764 -1.5684 -1.5684 -1.5228 -1.5228 -1.2859 -1.2859 2.1022 2.1022 2.7154 2.7154 4.6232 4.6232 5.2580 5.2580 5.8918 5.8918 7.0742 7.0742 8.1188 8.1188 9.5218 9.5218 10.7580 10.7580 12.0469 12.0469 12.6787 12.6787 k = 0.1925-0.3329-0.6355 ( 3380 PWs) bands (ev): -4.7681 -4.7681 -4.6155 -4.6155 -4.0377 -4.0377 -3.8188 -3.8188 -3.7128 -3.7128 -3.3577 -3.3577 -2.0197 -2.0197 -1.9342 -1.9342 -1.7726 -1.7726 -1.5658 -1.5658 -1.5212 -1.5212 -1.2686 -1.2686 2.1253 2.1253 2.6989 2.6989 4.5598 4.5598 5.1584 5.1584 5.8380 5.8380 7.0887 7.0887 8.1262 8.1262 9.5581 9.5581 10.6430 10.6430 12.0135 12.0135 12.6341 12.6341 k = 0.1987-0.3436-0.6560 ( 3384 PWs) bands (ev): -4.7763 -4.7763 -4.6012 -4.6012 -4.0194 -4.0194 -3.8178 -3.8178 -3.7089 -3.7089 -3.3496 -3.3496 -2.0132 -2.0132 -1.9313 -1.9313 -1.7693 -1.7693 -1.5633 -1.5633 -1.5194 -1.5194 -1.2523 -1.2523 2.1332 2.1332 2.7015 2.7015 4.5011 4.5011 5.0613 5.0613 5.7827 5.7827 7.0993 7.0993 8.1298 8.1298 9.5947 9.5947 10.5351 10.5351 11.9800 11.9800 12.5888 12.5888 k = 0.2049-0.3544-0.6765 ( 3382 PWs) bands (ev): -4.7836 -4.7836 -4.5893 -4.5893 -4.0001 -4.0001 -3.8168 -3.8168 -3.7043 -3.7043 -3.3424 -3.3424 -2.0062 -2.0062 -1.9284 -1.9284 -1.7664 -1.7664 -1.5609 -1.5609 -1.5175 -1.5175 -1.2370 -1.2370 2.1259 2.1259 2.7228 2.7228 4.4474 4.4474 4.9675 4.9675 5.7261 5.7261 7.1057 7.1057 8.1295 8.1295 9.6289 9.6289 10.4373 10.4373 11.9486 11.9486 12.5412 12.5412 k = 0.2111-0.3651-0.6970 ( 3378 PWs) bands (ev): -4.7900 -4.7900 -4.5797 -4.5797 -3.9802 -3.9802 -3.8159 -3.8159 -3.6987 -3.6987 -3.3360 -3.3360 -1.9987 -1.9987 -1.9254 -1.9254 -1.7638 -1.7638 -1.5585 -1.5585 -1.5154 -1.5154 -1.2230 -1.2230 2.1063 2.1063 2.7598 2.7598 4.3988 4.3988 4.8778 4.8778 5.6682 5.6682 7.1074 7.1074 8.1255 8.1255 9.6564 9.6564 10.3538 10.3538 11.9208 11.9208 12.4907 12.4907 k = 0.2173-0.3758-0.7175 ( 3380 PWs) bands (ev): -4.7953 -4.7953 -4.5725 -4.5725 -3.9601 -3.9601 -3.8151 -3.8151 -3.6920 -3.6920 -3.3304 -3.3304 -1.9907 -1.9907 -1.9224 -1.9224 -1.7615 -1.7615 -1.5563 -1.5563 -1.5132 -1.5132 -1.2106 -1.2106 2.0783 2.0783 2.8078 2.8078 4.3552 4.3552 4.7932 4.7932 5.6093 5.6093 7.1043 7.1043 8.1179 8.1179 9.6709 9.6709 10.2907 10.2907 11.8977 11.8977 12.4373 12.4373 k = 0.2235-0.3866-0.7380 ( 3388 PWs) bands (ev): -4.7997 -4.7997 -4.5675 -4.5675 -3.9405 -3.9405 -3.8143 -3.8143 -3.6840 -3.6840 -3.3257 -3.3257 -1.9822 -1.9822 -1.9193 -1.9193 -1.7595 -1.7595 -1.5540 -1.5540 -1.5108 -1.5108 -1.1999 -1.1999 2.0454 2.0454 2.8626 2.8626 4.3167 4.3167 4.7147 4.7147 5.5496 5.5496 7.0962 7.0962 8.1067 8.1067 9.6658 9.6658 10.2548 10.2548 11.8797 11.8797 12.3815 12.3815 k = 0.2298-0.3973-0.7585 ( 3382 PWs) bands (ev): -4.8031 -4.8031 -4.5646 -4.5646 -3.9218 -3.9218 -3.8135 -3.8135 -3.6745 -3.6745 -3.3218 -3.3218 -1.9733 -1.9733 -1.9160 -1.9160 -1.7577 -1.7577 -1.5519 -1.5519 -1.5082 -1.5082 -1.1911 -1.1911 2.0101 2.0101 2.9208 2.9208 4.2833 4.2833 4.6439 4.6439 5.4891 5.4891 7.0829 7.0829 8.0920 8.0920 9.6381 9.6381 10.2490 10.2490 11.8667 11.8667 12.3247 12.3247 k = 0.2360-0.4081-0.7790 ( 3378 PWs) bands (ev): -4.8054 -4.8054 -4.5635 -4.5635 -3.9044 -3.9044 -3.8127 -3.8127 -3.6633 -3.6633 -3.3186 -3.3186 -1.9642 -1.9642 -1.9123 -1.9123 -1.7561 -1.7561 -1.5497 -1.5497 -1.5052 -1.5052 -1.1844 -1.1844 1.9743 1.9743 2.9793 2.9793 4.2549 4.2549 4.5822 4.5822 5.4280 5.4280 7.0645 7.0645 8.0738 8.0738 9.5909 9.5909 10.2701 10.2701 11.8574 11.8574 12.2688 12.2688 k = 0.2422-0.4188-0.7995 ( 3382 PWs) bands (ev): -4.8067 -4.8067 -4.5643 -4.5643 -3.8887 -3.8887 -3.8120 -3.8120 -3.6504 -3.6504 -3.3164 -3.3164 -1.9552 -1.9552 -1.9082 -1.9082 -1.7546 -1.7546 -1.5475 -1.5475 -1.5019 -1.5019 -1.1799 -1.1799 1.9391 1.9391 3.0352 3.0352 4.2317 4.2317 4.5313 4.5313 5.3666 5.3666 7.0409 7.0409 8.0520 8.0520 9.5312 9.5312 10.3112 10.3112 11.8494 11.8494 12.2171 12.2171 k = 0.2484-0.4295-0.8200 ( 3382 PWs) bands (ev): -4.8070 -4.8070 -4.5667 -4.5667 -3.8750 -3.8750 -3.8113 -3.8113 -3.6358 -3.6358 -3.3149 -3.3149 -1.9465 -1.9465 -1.9032 -1.9032 -1.7533 -1.7533 -1.5454 -1.5454 -1.4982 -1.4982 -1.1777 -1.1777 1.9052 1.9052 3.0860 3.0860 4.2141 4.2141 4.4928 4.4928 5.3051 5.3051 7.0124 7.0124 8.0265 8.0265 9.4654 9.4654 10.3657 10.3657 11.8383 11.8383 12.1745 12.1745 k = 0.2546-0.4403-0.8405 ( 3384 PWs) bands (ev): -4.8062 -4.8062 -4.5706 -4.5706 -3.8634 -3.8634 -3.8107 -3.8107 -3.6198 -3.6198 -3.3142 -3.3142 -1.9387 -1.9387 -1.8970 -1.8970 -1.7521 -1.7521 -1.5433 -1.5433 -1.4939 -1.4939 -1.1777 -1.1777 1.8733 1.8733 3.1290 3.1290 4.2031 4.2031 4.4680 4.4680 5.2437 5.2437 6.9793 6.9793 7.9974 7.9974 9.3980 9.3980 10.4292 10.4292 11.8185 11.8185 12.1473 12.1473 k = 0.2608-0.4510-0.8610 ( 3388 PWs) bands (ev): -4.8044 -4.8044 -4.5758 -4.5758 -3.8536 -3.8536 -3.8100 -3.8100 -3.6027 -3.6027 -3.3142 -3.3142 -1.9322 -1.9322 -1.8892 -1.8892 -1.7511 -1.7511 -1.5413 -1.5413 -1.4889 -1.4889 -1.1801 -1.1801 1.8435 1.8435 3.1618 3.1618 4.1999 4.1999 4.4574 4.4574 5.1827 5.1827 6.9417 6.9417 7.9645 7.9645 9.3319 9.3319 10.4984 10.4984 11.7853 11.7853 12.1403 12.1403 k = 0.2670-0.4618-0.8815 ( 3388 PWs) bands (ev): -4.8016 -4.8016 -4.5822 -4.5822 -3.8456 -3.8456 -3.8095 -3.8095 -3.5849 -3.5849 -3.3150 -3.3150 -1.9270 -1.9270 -1.8801 -1.8801 -1.7503 -1.7503 -1.5393 -1.5393 -1.4831 -1.4831 -1.1847 -1.1847 1.8162 1.8162 3.1828 3.1828 4.2057 4.2057 4.4612 4.4612 5.1225 5.1225 6.9000 6.9000 7.9279 7.9279 9.2686 9.2686 10.5713 10.5713 11.7395 11.7395 12.1535 12.1535 k = 0.2732-0.4725-0.9020 ( 3390 PWs) bands (ev): -4.7977 -4.7977 -4.5898 -4.5898 -3.8390 -3.8390 -3.8089 -3.8089 -3.5668 -3.5668 -3.3165 -3.3165 -1.9231 -1.9231 -1.8698 -1.8698 -1.7495 -1.7495 -1.5375 -1.5375 -1.4763 -1.4763 -1.1916 -1.1916 1.7914 1.7914 3.1915 3.1915 4.2206 4.2206 4.4791 4.4791 5.0637 5.0637 6.8547 6.8547 7.8877 7.8877 9.2095 9.2095 10.6459 10.6459 11.6852 11.6852 12.1831 12.1831 k = 0.2794-0.4832-0.9225 ( 3386 PWs) bands (ev): -4.7928 -4.7928 -4.5985 -4.5985 -3.8338 -3.8338 -3.8084 -3.8084 -3.5489 -3.5489 -3.3187 -3.3187 -1.9202 -1.9202 -1.8588 -1.8588 -1.7489 -1.7489 -1.5359 -1.5359 -1.4684 -1.4684 -1.2007 -1.2007 1.7693 1.7693 3.1887 3.1887 4.2435 4.2435 4.5105 4.5105 5.0069 5.0069 6.8062 6.8062 7.8438 7.8438 9.1552 9.1552 10.7202 10.7202 11.6272 11.6272 12.2254 12.2254 k = 0.2856-0.4940-0.9430 ( 3392 PWs) bands (ev): -4.7869 -4.7869 -4.6080 -4.6080 -3.8296 -3.8296 -3.8080 -3.8080 -3.5315 -3.5315 -3.3214 -3.3214 -1.9179 -1.9179 -1.8477 -1.8477 -1.7486 -1.7486 -1.5344 -1.5344 -1.4593 -1.4593 -1.2118 -1.2118 1.7498 1.7498 3.1763 3.1763 4.2723 4.2723 4.5543 4.5543 4.9535 4.9535 6.7548 6.7548 7.7966 7.7966 9.1060 9.1060 10.7919 10.7919 11.5701 11.5701 12.2772 12.2772 k = 0.2919-0.5047-0.9635 ( 3388 PWs) bands (ev): -4.7800 -4.7800 -4.6184 -4.6184 -3.8263 -3.8263 -3.8076 -3.8076 -3.5149 -3.5149 -3.3246 -3.3246 -1.9162 -1.9162 -1.8367 -1.8367 -1.7483 -1.7483 -1.5330 -1.5330 -1.4490 -1.4490 -1.2247 -1.2247 1.7328 1.7328 3.1567 3.1567 4.3045 4.3045 4.6080 4.6080 4.9060 4.9060 6.7011 6.7011 7.7462 7.7462 9.0623 9.0623 10.8570 10.8570 11.5189 11.5189 12.3366 12.3366 k = 0.2981-0.5154-0.9840 ( 3380 PWs) bands (ev): -4.7721 -4.7721 -4.6295 -4.6295 -3.8238 -3.8238 -3.8073 -3.8073 -3.4995 -3.4995 -3.3283 -3.3283 -1.9149 -1.9149 -1.8262 -1.8262 -1.7483 -1.7483 -1.5319 -1.5319 -1.4372 -1.4372 -1.2392 -1.2392 1.7182 1.7182 3.1324 3.1324 4.3370 4.3370 4.6662 4.6662 4.8704 4.8704 6.6455 6.6455 7.6931 7.6931 9.0240 9.0240 10.9097 10.9097 11.4802 11.4802 12.4019 12.4019 k = 0.3043-0.5262-1.0045 ( 3384 PWs) bands (ev): -4.7633 -4.7633 -4.6412 -4.6412 -3.8218 -3.8218 -3.8070 -3.8070 -3.4856 -3.4856 -3.3321 -3.3321 -1.9140 -1.9140 -1.8166 -1.8166 -1.7485 -1.7485 -1.5308 -1.5308 -1.4243 -1.4243 -1.2552 -1.2552 1.7059 1.7059 3.1056 3.1056 4.3660 4.3660 4.7143 4.7143 4.8625 4.8625 6.5884 6.5884 7.6374 7.6374 8.9911 8.9911 10.9417 10.9417 11.4623 11.4623 12.4720 12.4720 k = 0.3105-0.5369-1.0250 ( 3384 PWs) bands (ev): -4.7536 -4.7536 -4.6535 -4.6535 -3.8203 -3.8203 -3.8069 -3.8069 -3.4735 -3.4735 -3.3359 -3.3359 -1.9133 -1.9133 -1.8079 -1.8079 -1.7488 -1.7488 -1.5299 -1.5299 -1.4102 -1.4102 -1.2723 -1.2723 1.6956 1.6956 3.0782 3.0782 4.3862 4.3862 4.7345 4.7345 4.9032 4.9032 6.5303 6.5303 7.5798 7.5798 8.9636 8.9636 10.9464 10.9464 11.4722 11.4722 12.5457 12.5457 k = 0.3167-0.5477-1.0455 ( 3378 PWs) bands (ev): -4.7432 -4.7432 -4.6660 -4.6660 -3.8192 -3.8192 -3.8067 -3.8067 -3.4636 -3.4636 -3.3393 -3.3393 -1.9130 -1.9130 -1.8006 -1.8006 -1.7492 -1.7492 -1.5291 -1.5291 -1.3951 -1.3951 -1.2901 -1.2901 1.6869 1.6869 3.0520 3.0520 4.3917 4.3917 4.7458 4.7458 4.9778 4.9778 6.4718 6.4718 7.5205 7.5205 8.9414 8.9414 10.9242 10.9242 11.5090 11.5090 12.6220 12.6220 k = 0.3229-0.5584-1.0660 ( 3380 PWs) bands (ev): -4.7325 -4.7325 -4.6783 -4.6783 -3.8184 -3.8184 -3.8067 -3.8067 -3.4564 -3.4564 -3.3419 -3.3419 -1.9128 -1.9128 -1.7949 -1.7949 -1.7496 -1.7496 -1.5283 -1.5283 -1.3797 -1.3797 -1.3079 -1.3079 1.6797 1.6797 3.0281 3.0281 4.3798 4.3798 4.7696 4.7696 5.0658 5.0658 6.4132 6.4132 7.4600 7.4600 8.9243 8.9243 10.8823 10.8823 11.5655 11.5655 12.6997 12.6997 k = 0.3291-0.5691-1.0865 ( 3380 PWs) bands (ev): -4.7230 -4.7230 -4.6888 -4.6888 -3.8180 -3.8180 -3.8067 -3.8067 -3.4522 -3.4522 -3.3433 -3.3433 -1.9129 -1.9129 -1.7910 -1.7910 -1.7498 -1.7498 -1.5277 -1.5277 -1.3659 -1.3659 -1.3237 -1.3237 1.6735 1.6735 3.0077 3.0077 4.3530 4.3530 4.8094 4.8094 5.1594 5.1594 6.3551 6.3551 7.3988 7.3988 8.9122 8.9122 10.8284 10.8284 11.6338 11.6338 12.7778 12.7778 k = 0.3353-0.5799-1.1070 ( 3380 PWs) bands (ev): -4.7211 -4.7211 -4.6912 -4.6912 -3.8178 -3.8178 -3.8069 -3.8069 -3.4514 -3.4514 -3.3432 -3.3432 -1.9132 -1.9132 -1.7892 -1.7892 -1.7495 -1.7495 -1.5271 -1.5271 -1.3627 -1.3627 -1.3284 -1.3284 1.6680 1.6680 2.9918 2.9918 4.3165 4.3165 4.8618 4.8618 5.2556 5.2556 6.2980 6.2980 7.3374 7.3374 8.9052 8.9052 10.7675 10.7675 11.7082 11.7082 12.8547 12.8547 k = 0.3415-0.5906-1.1275 ( 3376 PWs) bands (ev): -4.7300 -4.7300 -4.6820 -4.6820 -3.8178 -3.8178 -3.8071 -3.8071 -3.4538 -3.4538 -3.3415 -3.3415 -1.9138 -1.9138 -1.7898 -1.7898 -1.7487 -1.7487 -1.5265 -1.5265 -1.3754 -1.3754 -1.3165 -1.3165 1.6627 1.6627 2.9811 2.9811 4.2742 4.2742 4.9231 4.9231 5.3522 5.3522 6.2427 6.2427 7.2762 7.2762 8.9032 8.9032 10.7029 10.7029 11.7848 11.7848 12.9291 12.9291 k = 0.6585-0.4565-1.0464 ( 3376 PWs) bands (ev): -4.7300 -4.7300 -4.6820 -4.6820 -3.8178 -3.8178 -3.8071 -3.8071 -3.4538 -3.4538 -3.3415 -3.3415 -1.9138 -1.9138 -1.7898 -1.7898 -1.7487 -1.7487 -1.5265 -1.5265 -1.3754 -1.3754 -1.3165 -1.3165 1.6627 1.6627 2.9811 2.9811 4.2742 4.2742 4.9231 4.9231 5.3522 5.3522 6.2427 6.2427 7.2762 7.2762 8.9032 8.9032 10.7029 10.7029 11.7848 11.7848 12.9291 12.9291 k = 0.6524-0.4337-1.0464 ( 3368 PWs) bands (ev): -4.7427 -4.7427 -4.6684 -4.6684 -3.8181 -3.8181 -3.8073 -3.8073 -3.4591 -3.4591 -3.3387 -3.3387 -1.9145 -1.9145 -1.7925 -1.7925 -1.7474 -1.7474 -1.5261 -1.5261 -1.3919 -1.3919 -1.2999 -1.2999 1.6574 1.6574 2.9762 2.9762 4.2299 4.2299 4.9889 4.9889 5.4462 5.4462 6.1909 6.1909 7.2168 7.2168 8.9061 8.9061 10.6376 10.6376 11.8599 11.8599 12.9977 12.9977 k = 0.6463-0.4110-1.0464 ( 3366 PWs) bands (ev): -4.7564 -4.7564 -4.6529 -4.6529 -3.8185 -3.8185 -3.8077 -3.8077 -3.4669 -3.4669 -3.3349 -3.3349 -1.9156 -1.9156 -1.7972 -1.7972 -1.7459 -1.7459 -1.5258 -1.5258 -1.4087 -1.4087 -1.2822 -1.2822 1.6517 1.6517 2.9773 2.9773 4.1843 4.1843 5.0580 5.0580 5.5378 5.5378 6.1424 6.1424 7.1587 7.1587 8.9138 8.9138 10.5715 10.5715 11.9329 11.9329 13.0595 13.0595 k = 0.6402-0.3883-1.0464 ( 3368 PWs) bands (ev): -4.7706 -4.7706 -4.6362 -4.6362 -3.8191 -3.8191 -3.8082 -3.8082 -3.4766 -3.4766 -3.3306 -3.3306 -1.9169 -1.9169 -1.8035 -1.8035 -1.7444 -1.7444 -1.5257 -1.5257 -1.4247 -1.4247 -1.2642 -1.2642 1.6453 1.6453 2.9847 2.9847 4.1384 4.1384 5.1285 5.1285 5.6258 5.6258 6.0986 6.0986 7.1025 7.1025 8.9265 8.9265 10.5054 10.5054 12.0023 12.0023 13.1117 13.1117 k = 0.6341-0.3656-1.0464 ( 3366 PWs) bands (ev): -4.7850 -4.7850 -4.6185 -4.6185 -3.8199 -3.8199 -3.8088 -3.8088 -3.4880 -3.4880 -3.3262 -3.3262 -1.9186 -1.9186 -1.8112 -1.8112 -1.7429 -1.7429 -1.5260 -1.5260 -1.4393 -1.4393 -1.2464 -1.2464 1.6381 1.6381 2.9986 2.9986 4.0928 4.0928 5.1980 5.1980 5.7086 5.7086 6.0615 6.0615 7.0490 7.0490 8.9442 8.9442 10.4396 10.4396 12.0667 12.0667 13.1504 13.1504 k = 0.6280-0.3429-1.0464 ( 3378 PWs) bands (ev): -4.7993 -4.7993 -4.6000 -4.6000 -3.8208 -3.8208 -3.8095 -3.8095 -3.5007 -3.5007 -3.3217 -3.3217 -1.9208 -1.9208 -1.8200 -1.8200 -1.7417 -1.7417 -1.5268 -1.5268 -1.4521 -1.4521 -1.2290 -1.2290 1.6300 1.6300 3.0190 3.0190 4.0479 4.0479 5.2635 5.2635 5.7843 5.7843 6.0338 6.0338 6.9992 6.9992 8.9670 8.9670 10.3745 10.3745 12.1245 12.1245 13.1714 13.1714 k = 0.6219-0.3202-1.0464 ( 3376 PWs) bands (ev): -4.8135 -4.8135 -4.5807 -4.5807 -3.8220 -3.8220 -3.8103 -3.8103 -3.5144 -3.5144 -3.3174 -3.3174 -1.9235 -1.9235 -1.8297 -1.8297 -1.7406 -1.7406 -1.5283 -1.5283 -1.4629 -1.4629 -1.2121 -1.2121 1.6210 1.6210 3.0457 3.0457 4.0041 4.0041 5.3214 5.3214 5.8506 5.8506 6.0194 6.0194 6.9543 6.9543 8.9949 8.9949 10.3103 10.3103 12.1743 12.1743 13.1712 13.1712 k = 0.6158-0.2974-1.0464 ( 3382 PWs) bands (ev): -4.8275 -4.8275 -4.5606 -4.5606 -3.8234 -3.8234 -3.8112 -3.8112 -3.5291 -3.5291 -3.3132 -3.3132 -1.9271 -1.9271 -1.8398 -1.8398 -1.7397 -1.7397 -1.5307 -1.5307 -1.4714 -1.4714 -1.1958 -1.1958 1.6110 1.6110 3.0785 3.0785 3.9616 3.9616 5.3675 5.3675 5.9047 5.9047 6.0233 6.0233 6.9158 6.9158 9.0278 9.0278 10.2472 10.2472 12.2148 12.2148 13.1485 13.1485 k = 0.6097-0.2747-1.0464 ( 3384 PWs) bands (ev): -4.8413 -4.8413 -4.5398 -4.5398 -3.8251 -3.8251 -3.8122 -3.8122 -3.5444 -3.5444 -3.3093 -3.3093 -1.9318 -1.9318 -1.8498 -1.8498 -1.7391 -1.7391 -1.5341 -1.5341 -1.4774 -1.4774 -1.1802 -1.1802 1.6003 1.6003 3.1170 3.1170 3.9206 3.9206 5.3980 5.3980 5.9455 5.9455 6.0479 6.0479 6.8852 6.8852 9.0658 9.0658 10.1855 10.1855 12.2444 12.2444 13.1057 13.1057 k = 0.6036-0.2520-1.0464 ( 3392 PWs) bands (ev): -4.8547 -4.8547 -4.5183 -4.5183 -3.8272 -3.8272 -3.8133 -3.8133 -3.5603 -3.5603 -3.3057 -3.3057 -1.9379 -1.9379 -1.8592 -1.8592 -1.7386 -1.7386 -1.5383 -1.5383 -1.4813 -1.4813 -1.1654 -1.1654 1.5889 1.5889 3.1608 3.1608 3.8812 3.8812 5.4119 5.4119 5.9755 5.9755 6.0896 6.0896 6.8640 6.8640 9.1085 9.1085 10.1251 10.1251 12.2617 12.2617 13.0480 13.0480 k = 0.5975-0.2293-1.0464 ( 3382 PWs) bands (ev): -4.8677 -4.8677 -4.4962 -4.4962 -3.8298 -3.8298 -3.8144 -3.8144 -3.5766 -3.5766 -3.3024 -3.3024 -1.9455 -1.9455 -1.8676 -1.8676 -1.7383 -1.7383 -1.5430 -1.5430 -1.4834 -1.4834 -1.1515 -1.1515 1.5770 1.5770 3.2094 3.2094 3.8436 3.8436 5.4110 5.4110 5.9941 5.9941 6.1458 6.1458 6.8529 6.8529 9.1556 9.1556 10.0665 10.0665 12.2653 12.2653 12.9821 12.9821 k = 0.5914-0.2066-1.0464 ( 3380 PWs) bands (ev): -4.8802 -4.8802 -4.4735 -4.4735 -3.8330 -3.8330 -3.8155 -3.8155 -3.5931 -3.5931 -3.2993 -3.2993 -1.9548 -1.9548 -1.8746 -1.8746 -1.7381 -1.7381 -1.5478 -1.5478 -1.4842 -1.4842 -1.1384 -1.1384 1.5649 1.5649 3.2621 3.2621 3.8080 3.8080 5.3992 5.3992 5.9983 5.9983 6.2152 6.2152 6.8520 6.8520 9.2063 9.2063 10.0099 10.0099 12.2539 12.2539 12.9141 12.9141 k = 0.5853-0.1839-1.0464 ( 3380 PWs) bands (ev): -4.8922 -4.8922 -4.4503 -4.4503 -3.8370 -3.8370 -3.8166 -3.8166 -3.6095 -3.6095 -3.2965 -3.2965 -1.9655 -1.9655 -1.8802 -1.8802 -1.7380 -1.7380 -1.5525 -1.5525 -1.4842 -1.4842 -1.1262 -1.1262 1.5528 1.5528 3.3182 3.3182 3.7745 3.7745 5.3803 5.3803 5.9879 5.9879 6.2952 6.2952 6.8597 6.8597 9.2596 9.2596 9.9560 9.9560 12.2269 12.2269 12.8493 12.8493 k = 0.5792-0.1611-1.0464 ( 3380 PWs) bands (ev): -4.9036 -4.9036 -4.4267 -4.4267 -3.8419 -3.8419 -3.8177 -3.8177 -3.6257 -3.6257 -3.2940 -3.2940 -1.9773 -1.9773 -1.8846 -1.8846 -1.7380 -1.7380 -1.5569 -1.5569 -1.4836 -1.4836 -1.1149 -1.1149 1.5407 1.5407 3.3772 3.3772 3.7432 3.7432 5.3571 5.3571 5.9652 5.9652 6.3822 6.3822 6.8742 6.8742 9.3140 9.3140 9.9056 9.9056 12.1846 12.1846 12.7910 12.7910 k = 0.5731-0.1384-1.0464 ( 3382 PWs) bands (ev): -4.9144 -4.9144 -4.4027 -4.4027 -3.8481 -3.8481 -3.8187 -3.8187 -3.6414 -3.6414 -3.2917 -3.2917 -1.9897 -1.9897 -1.8880 -1.8880 -1.7381 -1.7381 -1.5609 -1.5609 -1.4827 -1.4827 -1.1045 -1.1045 1.5289 1.5289 3.4379 3.4379 3.7146 3.7146 5.3317 5.3317 5.9329 5.9329 6.4735 6.4735 6.8931 6.8931 9.3669 9.3669 9.8607 9.8607 12.1290 12.1290 12.7411 12.7411 k = 0.5670-0.1157-1.0464 ( 3386 PWs) bands (ev): -4.9245 -4.9245 -4.3783 -4.3783 -3.8556 -3.8556 -3.8196 -3.8196 -3.6562 -3.6562 -3.2897 -3.2897 -2.0022 -2.0022 -1.8906 -1.8906 -1.7383 -1.7383 -1.5645 -1.5645 -1.4815 -1.4815 -1.0950 -1.0950 1.5176 1.5176 3.4989 3.4989 3.6893 3.6893 5.3056 5.3056 5.8935 5.8935 6.5669 6.5669 6.9145 6.9145 9.4141 9.4141 9.8245 9.8245 12.0633 12.0633 12.6994 12.6994 k = 0.5610-0.0930-1.0464 ( 3386 PWs) bands (ev): -4.9339 -4.9339 -4.3537 -4.3537 -3.8646 -3.8646 -3.8204 -3.8204 -3.6700 -3.6700 -3.2879 -3.2879 -2.0145 -2.0145 -1.8926 -1.8926 -1.7385 -1.7385 -1.5676 -1.5676 -1.4801 -1.4801 -1.0864 -1.0864 1.5068 1.5068 3.5567 3.5567 3.6703 3.6703 5.2796 5.2796 5.8495 5.8495 6.6605 6.6605 6.9365 6.9365 9.4491 9.4491 9.8025 9.8025 11.9912 11.9912 12.6651 12.6651 k = 0.5549-0.0703-1.0464 ( 3386 PWs) bands (ev): -4.9425 -4.9425 -4.3290 -4.3290 -3.8753 -3.8753 -3.8212 -3.8212 -3.6824 -3.6824 -3.2863 -3.2863 -2.0263 -2.0263 -1.8942 -1.8942 -1.7387 -1.7387 -1.5704 -1.5704 -1.4788 -1.4788 -1.0787 -1.0787 1.4968 1.4968 3.5963 3.5963 3.6716 3.6716 5.2545 5.2545 5.8027 5.8027 6.7526 6.7526 6.9583 6.9583 9.4649 9.4649 9.8011 9.8011 11.9165 11.9165 12.6371 12.6371 k = 0.5488-0.0476-1.0464 ( 3390 PWs) bands (ev): -4.9503 -4.9503 -4.3044 -4.3044 -3.8878 -3.8878 -3.8219 -3.8219 -3.6933 -3.6933 -3.2849 -3.2849 -2.0374 -2.0374 -1.8955 -1.8955 -1.7389 -1.7389 -1.5729 -1.5729 -1.4774 -1.4774 -1.0719 -1.0719 1.4875 1.4875 3.5976 3.5976 3.7125 3.7125 5.2305 5.2305 5.7549 5.7549 6.8416 6.8416 6.9790 6.9790 9.4591 9.4591 9.8215 9.8215 11.8423 11.8423 12.6146 12.6146 k = 0.5427-0.0249-1.0464 ( 3388 PWs) bands (ev): -4.9572 -4.9572 -4.2799 -4.2799 -3.9018 -3.9018 -3.8225 -3.8225 -3.7026 -3.7026 -3.2837 -3.2837 -2.0475 -2.0475 -1.8965 -1.8965 -1.7392 -1.7392 -1.5749 -1.5749 -1.4761 -1.4761 -1.0658 -1.0658 1.4792 1.4792 3.5850 3.5850 3.7675 3.7675 5.2082 5.2082 5.7076 5.7076 6.9249 6.9249 6.9992 6.9992 9.4375 9.4375 9.8573 9.8573 11.7712 11.7712 12.5970 12.5970 k = 0.5366-0.0021-1.0464 ( 3396 PWs) bands (ev): -4.9633 -4.9633 -4.2558 -4.2558 -3.9172 -3.9172 -3.8230 -3.8230 -3.7103 -3.7103 -3.2826 -3.2826 -2.0565 -2.0565 -1.8973 -1.8973 -1.7394 -1.7394 -1.5767 -1.5767 -1.4749 -1.4749 -1.0607 -1.0607 1.4718 1.4718 3.5711 3.5711 3.8227 3.8227 5.1877 5.1877 5.6625 5.6625 6.9928 6.9928 7.0267 7.0267 9.4075 9.4075 9.9002 9.9002 11.7054 11.7054 12.5837 12.5837 k = 0.5305 0.0206-1.0464 ( 3382 PWs) bands (ev): -4.9685 -4.9685 -4.2325 -4.2325 -3.9334 -3.9334 -3.8235 -3.8235 -3.7165 -3.7165 -3.2818 -3.2818 -2.0643 -2.0643 -1.8979 -1.8979 -1.7396 -1.7396 -1.5781 -1.5781 -1.4739 -1.4739 -1.0563 -1.0563 1.4655 1.4655 3.5585 3.5585 3.8742 3.8742 5.1693 5.1693 5.6209 5.6209 7.0200 7.0200 7.0848 7.0848 9.3750 9.3750 9.9438 9.9438 11.6467 11.6467 12.5744 12.5744 k = 0.5244 0.0433-1.0464 ( 3374 PWs) bands (ev): -4.9728 -4.9728 -4.2104 -4.2104 -3.9500 -3.9500 -3.8238 -3.8238 -3.7213 -3.7213 -3.2811 -3.2811 -2.0708 -2.0708 -1.8983 -1.8983 -1.7397 -1.7397 -1.5793 -1.5793 -1.4729 -1.4729 -1.0528 -1.0528 1.4602 1.4602 3.5479 3.5479 3.9199 3.9199 5.1534 5.1534 5.5843 5.5843 7.0334 7.0334 7.1448 7.1448 9.3439 9.3439 9.9841 9.9841 11.5964 11.5964 12.5684 12.5684 k = 0.5183 0.0660-1.0464 ( 3376 PWs) bands (ev): -4.9762 -4.9762 -4.1905 -4.1905 -3.9658 -3.9658 -3.8241 -3.8241 -3.7249 -3.7249 -3.2805 -3.2805 -2.0759 -2.0759 -1.8987 -1.8987 -1.7399 -1.7399 -1.5802 -1.5802 -1.4722 -1.4722 -1.0500 -1.0500 1.4561 1.4561 3.5396 3.5396 3.9580 3.9580 5.1402 5.1402 5.5542 5.5542 7.0428 7.0428 7.1949 7.1949 9.3168 9.3168 10.0181 10.0181 11.5560 11.5560 12.5649 12.5649 k = 0.5122 0.0887-1.0464 ( 3374 PWs) bands (ev): -4.9786 -4.9786 -4.1739 -4.1739 -3.9796 -3.9796 -3.8243 -3.8243 -3.7274 -3.7274 -3.2802 -3.2802 -2.0796 -2.0796 -1.8989 -1.8989 -1.7399 -1.7399 -1.5808 -1.5808 -1.4717 -1.4717 -1.0481 -1.0481 1.4531 1.4531 3.5335 3.5335 3.9866 3.9866 5.1302 5.1302 5.5317 5.5317 7.0494 7.0494 7.2324 7.2324 9.2958 9.2958 10.0438 10.0438 11.5263 11.5263 12.5633 12.5633 k = 0.5061 0.1114-1.0464 ( 3366 PWs) bands (ev): -4.9800 -4.9800 -4.1625 -4.1625 -3.9893 -3.9893 -3.8244 -3.8244 -3.7288 -3.7288 -3.2799 -3.2799 -2.0819 -2.0819 -1.8991 -1.8991 -1.7400 -1.7400 -1.5811 -1.5811 -1.4714 -1.4714 -1.0469 -1.0469 1.4514 1.4514 3.5299 3.5299 4.0045 4.0045 5.1240 5.1240 5.5178 5.5178 7.0533 7.0533 7.2555 7.2555 9.2826 9.2826 10.0598 10.0598 11.5082 11.5082 12.5627 12.5627 k = 0.5000 0.1342-1.0464 ( 3366 PWs) bands (ev): -4.9805 -4.9805 -4.1584 -4.1584 -3.9929 -3.9929 -3.8245 -3.8245 -3.7293 -3.7293 -3.2799 -3.2799 -2.0826 -2.0826 -1.8991 -1.8991 -1.7400 -1.7400 -1.5813 -1.5813 -1.4713 -1.4713 -1.0465 -1.0465 1.4508 1.4508 3.5287 3.5287 4.0106 4.0106 5.1219 5.1219 5.5131 5.5131 7.0546 7.0546 7.2634 7.2634 9.2780 9.2780 10.0652 10.0652 11.5021 11.5021 12.5626 12.5626 k = 0.5000 0.1342-1.0464 ( 3366 PWs) bands (ev): -4.9805 -4.9805 -4.1584 -4.1584 -3.9929 -3.9929 -3.8245 -3.8245 -3.7293 -3.7293 -3.2799 -3.2799 -2.0826 -2.0826 -1.8991 -1.8991 -1.7400 -1.7400 -1.5813 -1.5813 -1.4713 -1.4713 -1.0465 -1.0465 1.4508 1.4508 3.5287 3.5287 4.0106 4.0106 5.1219 5.1219 5.5131 5.5131 7.0546 7.0546 7.2634 7.2634 9.2780 9.2780 10.0652 10.0652 11.5021 11.5021 12.5626 12.5626 k = 0.5198 0.1395-1.0362 ( 3371 PWs) bands (ev): -4.9803 -4.9803 -4.1584 -4.1584 -3.9962 -3.9962 -3.8211 -3.8211 -3.7293 -3.7293 -3.2803 -3.2803 -2.0826 -2.0826 -1.8991 -1.8991 -1.7394 -1.7394 -1.5812 -1.5812 -1.4713 -1.4713 -1.0479 -1.0479 1.4516 1.4516 3.5232 3.5232 4.0158 4.0158 5.1265 5.1265 5.5143 5.5143 7.0460 7.0460 7.2619 7.2619 9.2851 9.2851 10.0552 10.0552 11.5133 11.5133 12.5667 12.5667 k = 0.5396 0.1448-1.0261 ( 3376 PWs) bands (ev): -4.9797 -4.9797 -4.1584 -4.1584 -4.0055 -4.0055 -3.8116 -3.8116 -3.7291 -3.7291 -3.2817 -3.2817 -2.0824 -2.0824 -1.8989 -1.8989 -1.7373 -1.7373 -1.5811 -1.5811 -1.4715 -1.4715 -1.0520 -1.0520 1.4541 1.4541 3.5074 3.5074 4.0308 4.0308 5.1403 5.1403 5.5179 5.5179 7.0206 7.0206 7.2577 7.2577 9.3054 9.3054 10.0266 10.0266 11.5459 11.5459 12.5789 12.5789 k = 0.5594 0.1501-1.0159 ( 3375 PWs) bands (ev): -4.9786 -4.9786 -4.1584 -4.1584 -4.0191 -4.0191 -3.7977 -3.7977 -3.7287 -3.7287 -3.2839 -3.2839 -2.0822 -2.0822 -1.8986 -1.8986 -1.7339 -1.7339 -1.5809 -1.5809 -1.4717 -1.4717 -1.0587 -1.0587 1.4582 1.4582 3.4829 3.4829 4.0543 4.0543 5.1628 5.1628 5.5240 5.5240 6.9798 6.9798 7.2506 7.2506 9.3363 9.3363 9.9841 9.9841 11.5967 11.5967 12.5990 12.5990 k = 0.5792 0.1554-1.0058 ( 3370 PWs) bands (ev): -4.9772 -4.9772 -4.1583 -4.1583 -4.0354 -4.0354 -3.7812 -3.7812 -3.7279 -3.7279 -3.2870 -3.2870 -2.0818 -2.0818 -1.8982 -1.8982 -1.7292 -1.7292 -1.5806 -1.5806 -1.4720 -1.4720 -1.0681 -1.0681 1.4639 1.4639 3.4518 3.4518 4.0845 4.0845 5.1932 5.1932 5.5330 5.5330 6.9253 6.9253 7.2410 7.2410 9.3727 9.3727 9.9347 9.9347 11.6614 11.6614 12.6265 12.6265 k = 0.5990 0.1607-0.9956 ( 3370 PWs) bands (ev): -4.9754 -4.9754 -4.1583 -4.1583 -4.0534 -4.0534 -3.7638 -3.7638 -3.7262 -3.7262 -3.2911 -3.2911 -2.0814 -2.0814 -1.8978 -1.8978 -1.7232 -1.7232 -1.5802 -1.5802 -1.4724 -1.4724 -1.0799 -1.0799 1.4712 1.4712 3.4156 3.4156 4.1200 4.1200 5.2304 5.2304 5.5450 5.5450 6.8595 6.8595 7.2288 7.2288 9.4058 9.4058 9.8892 9.8892 11.7361 11.7361 12.6608 12.6608 k = 0.6189 0.1660-0.9855 ( 3379 PWs) bands (ev): -4.9732 -4.9732 -4.1583 -4.1583 -4.0721 -4.0721 -3.7481 -3.7481 -3.7216 -3.7216 -3.2960 -3.2960 -2.0809 -2.0809 -1.8972 -1.8972 -1.7159 -1.7159 -1.5796 -1.5796 -1.4728 -1.4728 -1.0940 -1.0940 1.4802 1.4802 3.3761 3.3761 4.1597 4.1597 5.2728 5.2728 5.5607 5.5607 6.7848 6.7848 7.2144 7.2144 9.4213 9.4213 9.8630 9.8630 11.8170 11.8170 12.7008 12.7008 k = 0.6387 0.1714-0.9753 ( 3378 PWs) bands (ev): -4.9706 -4.9706 -4.1582 -4.1582 -4.0912 -4.0912 -3.7389 -3.7389 -3.7101 -3.7101 -3.3017 -3.3017 -2.0804 -2.0804 -1.8967 -1.8967 -1.7073 -1.7073 -1.5788 -1.5788 -1.4734 -1.4734 -1.1102 -1.1102 1.4907 1.4907 3.3342 3.3342 4.2027 4.2027 5.3184 5.3184 5.5811 5.5811 6.7036 6.7036 7.1979 7.1979 9.4047 9.4047 9.8711 9.8711 11.9013 11.9013 12.7451 12.7451 k = 0.6585 0.1767-0.9652 ( 3380 PWs) bands (ev): -4.9677 -4.9677 -4.1582 -4.1582 -4.1103 -4.1103 -3.7354 -3.7354 -3.6924 -3.6924 -3.3084 -3.3084 -2.0798 -2.0798 -1.8961 -1.8961 -1.6976 -1.6976 -1.5778 -1.5778 -1.4740 -1.4740 -1.1285 -1.1285 1.5028 1.5028 3.2910 3.2910 4.2483 4.2483 5.3649 5.3649 5.6072 5.6072 6.6184 6.6184 7.1795 7.1795 9.3550 9.3550 9.9152 9.9152 11.9867 11.9867 12.7917 12.7917 k = 0.6585 0.1767-0.9652 ( 3380 PWs) bands (ev): -4.9677 -4.9677 -4.1582 -4.1582 -4.1103 -4.1103 -3.7354 -3.7354 -3.6924 -3.6924 -3.3084 -3.3084 -2.0798 -2.0798 -1.8961 -1.8961 -1.6976 -1.6976 -1.5778 -1.5778 -1.4740 -1.4740 -1.1285 -1.1285 1.5028 1.5028 3.2910 3.2910 4.2483 4.2483 5.3649 5.3649 5.6072 5.6072 6.6184 6.6184 7.1795 7.1795 9.3550 9.3550 9.9152 9.9152 11.9867 11.9867 12.7917 12.7917 k = 0.6549 0.1757-0.9414 ( 3388 PWs) bands (ev): -4.9659 -4.9659 -4.1586 -4.1586 -4.1207 -4.1207 -3.7348 -3.7348 -3.6864 -3.6864 -3.3145 -3.3145 -2.0797 -2.0797 -1.8962 -1.8962 -1.6939 -1.6939 -1.5771 -1.5771 -1.4748 -1.4748 -1.1448 -1.1448 1.5103 1.5103 3.2657 3.2657 4.3555 4.3555 5.3402 5.3402 5.5975 5.5975 6.5744 6.5744 7.1851 7.1851 9.3473 9.3473 9.9610 9.9610 12.0063 12.0063 12.7999 12.7999 k = 0.6513 0.1747-0.9176 ( 3377 PWs) bands (ev): -4.9633 -4.9633 -4.1597 -4.1597 -4.1324 -4.1324 -3.7344 -3.7344 -3.6813 -3.6813 -3.3213 -3.3213 -2.0796 -2.0796 -1.8965 -1.8965 -1.6904 -1.6904 -1.5765 -1.5765 -1.4759 -1.4759 -1.1632 -1.1632 1.5225 1.5225 3.2425 3.2425 4.4608 4.4608 5.3177 5.3177 5.5941 5.5941 6.5320 6.5320 7.1910 7.1910 9.3419 9.3419 10.0094 10.0094 12.0289 12.0289 12.8112 12.8112 k = 0.6477 0.1738-0.8938 ( 3375 PWs) bands (ev): -4.9599 -4.9599 -4.1635 -4.1635 -4.1436 -4.1436 -3.7344 -3.7344 -3.6773 -3.6773 -3.3289 -3.3289 -2.0794 -2.0794 -1.8970 -1.8970 -1.6871 -1.6871 -1.5760 -1.5760 -1.4771 -1.4771 -1.1834 -1.1834 1.5396 1.5396 3.2207 3.2207 4.5629 4.5629 5.2990 5.2990 5.5961 5.5961 6.4926 6.4926 7.1972 7.1972 9.3388 9.3388 10.0599 10.0599 12.0539 12.0539 12.8254 12.8254 k = 0.6441 0.1728-0.8701 ( 3377 PWs) bands (ev): -4.9559 -4.9559 -4.1735 -4.1735 -4.1503 -4.1503 -3.7344 -3.7344 -3.6744 -3.6744 -3.3372 -3.3372 -2.0792 -2.0792 -1.8977 -1.8977 -1.6841 -1.6841 -1.5755 -1.5755 -1.4784 -1.4784 -1.2052 -1.2052 1.5612 1.5612 3.1998 3.1998 4.6602 4.6602 5.2855 5.2855 5.6025 5.6025 6.4580 6.4580 7.2037 7.2037 9.3380 9.3380 10.1121 10.1121 12.0810 12.0810 12.8418 12.8418 k = 0.6405 0.1718-0.8463 ( 3375 PWs) bands (ev): -4.9511 -4.9511 -4.1896 -4.1896 -4.1528 -4.1528 -3.7346 -3.7346 -3.6727 -3.6727 -3.3461 -3.3461 -2.0790 -2.0790 -1.8987 -1.8987 -1.6815 -1.6815 -1.5753 -1.5753 -1.4800 -1.4800 -1.2283 -1.2283 1.5872 1.5872 3.1795 3.1795 4.7507 4.7507 5.2785 5.2785 5.6128 5.6128 6.4302 6.4302 7.2103 7.2103 9.3394 9.3394 10.1659 10.1659 12.1097 12.1097 12.8601 12.8601 k = 0.6369 0.1709-0.8225 ( 3377 PWs) bands (ev): -4.9457 -4.9457 -4.2088 -4.2088 -4.1538 -4.1538 -3.7349 -3.7349 -3.6720 -3.6720 -3.3558 -3.3558 -2.0788 -2.0788 -1.8998 -1.8998 -1.6793 -1.6793 -1.5752 -1.5752 -1.4817 -1.4817 -1.2525 -1.2525 1.6175 1.6175 3.1592 3.1592 4.8325 4.8325 5.2787 5.2787 5.6264 5.6264 6.4117 6.4117 7.2172 7.2172 9.3426 9.3426 10.2213 10.2213 12.1396 12.1396 12.8795 12.8795 k = 0.6333 0.1699-0.7987 ( 3375 PWs) bands (ev): -4.9396 -4.9396 -4.2299 -4.2299 -4.1544 -4.1544 -3.7353 -3.7353 -3.6723 -3.6723 -3.3661 -3.3661 -2.0785 -2.0785 -1.9012 -1.9012 -1.6777 -1.6777 -1.5754 -1.5754 -1.4835 -1.4835 -1.2773 -1.2773 1.6517 1.6517 3.1386 3.1386 4.9039 4.9039 5.2863 5.2863 5.6429 5.6429 6.4048 6.4048 7.2242 7.2242 9.3476 9.3476 10.2782 10.2782 12.1703 12.1703 12.8992 12.8992 k = 0.6297 0.1689-0.7749 ( 3376 PWs) bands (ev): -4.9329 -4.9329 -4.2527 -4.2527 -4.1548 -4.1548 -3.7357 -3.7357 -3.6734 -3.6734 -3.3771 -3.3771 -2.0783 -2.0783 -1.9028 -1.9028 -1.6767 -1.6767 -1.5760 -1.5760 -1.4855 -1.4855 -1.3025 -1.3025 1.6897 1.6897 3.1172 3.1172 4.9643 4.9643 5.3003 5.3003 5.6617 5.6617 6.4121 6.4121 7.2314 7.2314 9.3540 9.3540 10.3366 10.3366 12.2012 12.2012 12.9185 12.9185 k = 0.6261 0.1680-0.7512 ( 3374 PWs) bands (ev): -4.9257 -4.9257 -4.2768 -4.2768 -4.1551 -4.1551 -3.7362 -3.7362 -3.6752 -3.6752 -3.3888 -3.3888 -2.0780 -2.0780 -1.9047 -1.9047 -1.6765 -1.6765 -1.5769 -1.5769 -1.4876 -1.4876 -1.3277 -1.3277 1.7310 1.7310 3.0947 3.0947 5.0144 5.0144 5.3186 5.3186 5.6826 5.6826 6.4357 6.4357 7.2387 7.2387 9.3617 9.3617 10.3964 10.3964 12.2318 12.2318 12.9366 12.9366 k = 0.6225 0.1670-0.7274 ( 3371 PWs) bands (ev): -4.9179 -4.9179 -4.3021 -4.3021 -4.1555 -4.1555 -3.7368 -3.7368 -3.6776 -3.6776 -3.4012 -3.4012 -2.0778 -2.0778 -1.9068 -1.9068 -1.6771 -1.6771 -1.5783 -1.5783 -1.4898 -1.4898 -1.3524 -1.3524 1.7752 1.7752 3.0711 3.0711 5.0565 5.0565 5.3383 5.3383 5.7051 5.7051 6.4764 6.4764 7.2460 7.2460 9.3706 9.3706 10.4578 10.4578 12.2615 12.2615 12.9528 12.9528 k = 0.6189 0.1660-0.7036 ( 3370 PWs) bands (ev): -4.9096 -4.9096 -4.3284 -4.3284 -4.1558 -4.1558 -3.7375 -3.7375 -3.6805 -3.6805 -3.4143 -3.4143 -2.0776 -2.0776 -1.9091 -1.9091 -1.6790 -1.6790 -1.5802 -1.5802 -1.4920 -1.4920 -1.3762 -1.3762 1.8221 1.8221 3.0463 3.0463 5.0929 5.0929 5.3575 5.3575 5.7293 5.7293 6.5341 6.5341 7.2534 7.2534 9.3803 9.3803 10.5207 10.5207 12.2894 12.2894 12.9667 12.9667 k = 0.6153 0.1651-0.6798 ( 3365 PWs) bands (ev): -4.9010 -4.9010 -4.3554 -4.3554 -4.1561 -4.1561 -3.7383 -3.7383 -3.6839 -3.6839 -3.4280 -3.4280 -2.0774 -2.0774 -1.9116 -1.9116 -1.6822 -1.6822 -1.5827 -1.5827 -1.4944 -1.4944 -1.3986 -1.3986 1.8709 1.8709 3.0201 3.0201 5.1251 5.1251 5.3759 5.3759 5.7552 5.7552 6.6073 6.6073 7.2608 7.2608 9.3908 9.3908 10.5849 10.5849 12.3147 12.3147 12.9783 12.9783 k = 0.6116 0.1641-0.6560 ( 3363 PWs) bands (ev): -4.8921 -4.8921 -4.3829 -4.3829 -4.1565 -4.1565 -3.7391 -3.7391 -3.6877 -3.6877 -3.4424 -3.4424 -2.0773 -2.0773 -1.9143 -1.9143 -1.6871 -1.6871 -1.5856 -1.5856 -1.4968 -1.4968 -1.4193 -1.4193 1.9213 1.9213 2.9928 2.9928 5.1538 5.1538 5.3950 5.3950 5.7831 5.7831 6.6935 6.6935 7.2681 7.2681 9.4020 9.4020 10.6504 10.6504 12.3361 12.3361 12.9880 12.9880 k = 0.6080 0.1631-0.6323 ( 3373 PWs) bands (ev): -4.8830 -4.8830 -4.4107 -4.4107 -4.1568 -4.1568 -3.7401 -3.7401 -3.6918 -3.6918 -3.4574 -3.4574 -2.0772 -2.0772 -1.9172 -1.9172 -1.6941 -1.6941 -1.5888 -1.5888 -1.4992 -1.4992 -1.4377 -1.4377 1.9727 1.9727 2.9644 2.9644 5.1785 5.1785 5.4174 5.4174 5.8130 5.8130 6.7901 6.7901 7.2753 7.2753 9.4136 9.4136 10.7170 10.7170 12.3523 12.3523 12.9966 12.9966 k = 0.6044 0.1622-0.6085 ( 3365 PWs) bands (ev): -4.8739 -4.8739 -4.4385 -4.4385 -4.1572 -4.1572 -3.7411 -3.7411 -3.6962 -3.6962 -3.4730 -3.4730 -2.0772 -2.0772 -1.9203 -1.9203 -1.7033 -1.7033 -1.5923 -1.5923 -1.5016 -1.5016 -1.4537 -1.4537 2.0244 2.0244 2.9352 2.9352 5.1986 5.1986 5.4457 5.4457 5.8450 5.8450 6.8946 6.8946 7.2823 7.2823 9.4257 9.4257 10.7844 10.7844 12.3622 12.3622 13.0057 13.0057 k = 0.6008 0.1612-0.5847 ( 3357 PWs) bands (ev): -4.8650 -4.8650 -4.4658 -4.4658 -4.1576 -4.1576 -3.7423 -3.7423 -3.7008 -3.7008 -3.4891 -3.4891 -2.0773 -2.0773 -1.9234 -1.9234 -1.7149 -1.7149 -1.5956 -1.5956 -1.5040 -1.5040 -1.4672 -1.4672 2.0757 2.0757 2.9056 2.9056 5.2146 5.2146 5.4815 5.4815 5.8790 5.8790 7.0047 7.0047 7.2891 7.2891 9.4380 9.4380 10.8524 10.8524 12.3645 12.3645 13.0168 13.0168 k = 0.5972 0.1602-0.5609 ( 3355 PWs) bands (ev): -4.8565 -4.8565 -4.4924 -4.4924 -4.1581 -4.1581 -3.7436 -3.7436 -3.7057 -3.7057 -3.5056 -3.5056 -2.0775 -2.0775 -1.9267 -1.9267 -1.7288 -1.7288 -1.5988 -1.5988 -1.5063 -1.5063 -1.4784 -1.4784 2.1259 2.1259 2.8758 2.8758 5.2278 5.2278 5.5248 5.5248 5.9149 5.9149 7.1183 7.1183 7.2957 7.2957 9.4505 9.4505 10.9203 10.9203 12.3587 12.3587 13.0312 13.0312 k = 0.5936 0.1593-0.5371 ( 3353 PWs) bands (ev): -4.8489 -4.8489 -4.5176 -4.5176 -4.1585 -4.1585 -3.7451 -3.7451 -3.7109 -3.7109 -3.5224 -3.5224 -2.0779 -2.0779 -1.9301 -1.9301 -1.7445 -1.7445 -1.6016 -1.6016 -1.5086 -1.5086 -1.4875 -1.4875 2.1742 2.1742 2.8463 2.8463 5.2402 5.2402 5.5751 5.5751 5.9525 5.9525 7.2334 7.2334 7.3021 7.3021 9.4630 9.4630 10.9877 10.9877 12.3451 12.3451 13.0498 13.0498 k = 0.5900 0.1583-0.5134 ( 3354 PWs) bands (ev): -4.8427 -4.8427 -4.5409 -4.5409 -4.1590 -4.1590 -3.7470 -3.7470 -3.7164 -3.7164 -3.5393 -3.5393 -2.0784 -2.0784 -1.9335 -1.9335 -1.7617 -1.7617 -1.6040 -1.6040 -1.5107 -1.5107 -1.4950 -1.4950 2.2197 2.2197 2.8177 2.8177 5.2538 5.2538 5.6311 5.6311 5.9919 5.9919 7.3067 7.3067 7.3501 7.3501 9.4752 9.4752 11.0539 11.0539 12.3247 12.3247 13.0726 13.0726 k = 0.5864 0.1574-0.4896 ( 3357 PWs) bands (ev): -4.8385 -4.8385 -4.5614 -4.5614 -4.1595 -4.1595 -3.7492 -3.7492 -3.7222 -3.7222 -3.5562 -3.5562 -2.0790 -2.0790 -1.9370 -1.9370 -1.7799 -1.7799 -1.6061 -1.6061 -1.5128 -1.5128 -1.5011 -1.5011 2.2615 2.2615 2.7906 2.7906 5.2703 5.2703 5.6917 5.6917 6.0328 6.0328 7.3125 7.3125 7.4638 7.4638 9.4870 9.4870 11.1180 11.1180 12.2995 12.2995 13.0987 13.0987 k = 0.5828 0.1564-0.4658 ( 3355 PWs) bands (ev): -4.8371 -4.8371 -4.5783 -4.5783 -4.1600 -4.1600 -3.7523 -3.7523 -3.7281 -3.7281 -3.5727 -3.5727 -2.0799 -2.0799 -1.9404 -1.9404 -1.7984 -1.7984 -1.6080 -1.6080 -1.5150 -1.5150 -1.5060 -1.5060 2.2984 2.2984 2.7659 2.7659 5.2911 5.2911 5.7561 5.7561 6.0753 6.0753 7.3174 7.3174 7.5753 7.5753 9.4978 9.4978 11.1789 11.1789 12.2718 12.2718 13.1263 13.1263 k = 0.5792 0.1554-0.4420 ( 3356 PWs) bands (ev): -4.8391 -4.8391 -4.5907 -4.5907 -4.1606 -4.1606 -3.7567 -3.7567 -3.7338 -3.7338 -3.5887 -3.5887 -2.0811 -2.0811 -1.9439 -1.9439 -1.8170 -1.8170 -1.6096 -1.6096 -1.5173 -1.5173 -1.5097 -1.5097 2.3293 2.3293 2.7444 2.7444 5.3172 5.3172 5.8235 5.8235 6.1192 6.1192 7.3216 7.3216 7.6829 7.6829 9.5072 9.5072 11.2359 11.2359 12.2440 12.2440 13.1526 13.1526 k = 0.5756 0.1545-0.4182 ( 3355 PWs) bands (ev): -4.8452 -4.8452 -4.5980 -4.5980 -4.1611 -4.1611 -3.7631 -3.7631 -3.7387 -3.7387 -3.6037 -3.6037 -2.0826 -2.0826 -1.9473 -1.9473 -1.8351 -1.8351 -1.6112 -1.6112 -1.5200 -1.5200 -1.5124 -1.5124 2.3530 2.3530 2.7271 2.7271 5.3492 5.3492 5.8931 5.8931 6.1647 6.1647 7.3252 7.3252 7.7855 7.7855 9.5145 9.5145 11.2880 11.2880 12.2184 12.2184 13.1728 13.1728 k = 0.5720 0.1535-0.3944 ( 3355 PWs) bands (ev): -4.8552 -4.8552 -4.6002 -4.6002 -4.1617 -4.1617 -3.7723 -3.7723 -3.7427 -3.7427 -3.6176 -3.6176 -2.0844 -2.0844 -1.9507 -1.9507 -1.8526 -1.8526 -1.6126 -1.6126 -1.5229 -1.5229 -1.5142 -1.5142 2.3685 2.3685 2.7151 2.7151 5.3877 5.3877 5.9640 5.9640 6.2118 6.2118 7.3281 7.3281 7.8818 7.8818 9.5186 9.5186 11.3348 11.3348 12.1963 12.1963 13.1805 13.1805 k = 0.5684 0.1525-0.3707 ( 3359 PWs) bands (ev): -4.8687 -4.8687 -4.5977 -4.5977 -4.1623 -4.1623 -3.7842 -3.7842 -3.7457 -3.7457 -3.6300 -3.6300 -2.0866 -2.0866 -1.9540 -1.9540 -1.8693 -1.8693 -1.6140 -1.6140 -1.5259 -1.5259 -1.5155 -1.5155 2.3756 2.3756 2.7085 2.7085 5.4328 5.4328 6.0356 6.0356 6.2608 6.2608 7.3301 7.3301 7.9709 7.9709 9.5184 9.5184 11.3766 11.3766 12.1783 12.1783 13.1715 13.1715 k = 0.5648 0.1516-0.3469 ( 3359 PWs) bands (ev): -4.8847 -4.8847 -4.5913 -4.5913 -4.1629 -4.1629 -3.7985 -3.7985 -3.7482 -3.7482 -3.6409 -3.6409 -2.0892 -2.0892 -1.9572 -1.9572 -1.8848 -1.8848 -1.6154 -1.6154 -1.5288 -1.5288 -1.5163 -1.5163 2.3747 2.3747 2.7070 2.7070 5.4847 5.4847 6.1068 6.1068 6.3120 6.3120 7.3314 7.3314 8.0521 8.0521 9.5127 9.5127 11.4146 11.4146 12.1634 12.1634 13.1505 13.1505 k = 0.5612 0.1506-0.3231 ( 3357 PWs) bands (ev): -4.9026 -4.9026 -4.5816 -4.5816 -4.1635 -4.1635 -3.8149 -3.8149 -3.7503 -3.7503 -3.6502 -3.6502 -2.0922 -2.0922 -1.9604 -1.9604 -1.8990 -1.8990 -1.6167 -1.6167 -1.5316 -1.5316 -1.5168 -1.5168 2.3671 2.3671 2.7094 2.7094 5.5433 5.5433 6.1767 6.1767 6.3659 6.3659 7.3317 7.3317 8.1246 8.1246 9.5000 9.5000 11.4507 11.4507 12.1497 12.1497 13.1275 13.1275 k = 0.5576 0.1496-0.2993 ( 3356 PWs) bands (ev): -4.9214 -4.9214 -4.5694 -4.5694 -4.1641 -4.1641 -3.8332 -3.8332 -3.7522 -3.7522 -3.6580 -3.6580 -2.0956 -2.0956 -1.9634 -1.9634 -1.9120 -1.9120 -1.6181 -1.6181 -1.5343 -1.5343 -1.5172 -1.5172 2.3546 2.3546 2.7143 2.7143 5.6082 5.6082 6.2439 6.2439 6.4231 6.4231 7.3312 7.3312 8.1880 8.1880 9.4792 9.4792 11.4871 11.4871 12.1349 12.1349 13.1111 13.1111 k = 0.5540 0.1487-0.2755 ( 3354 PWs) bands (ev): -4.9407 -4.9407 -4.5553 -4.5553 -4.1647 -4.1647 -3.8531 -3.8531 -3.7539 -3.7539 -3.6645 -3.6645 -2.0995 -2.0995 -1.9664 -1.9664 -1.9235 -1.9235 -1.6195 -1.6195 -1.5368 -1.5368 -1.5174 -1.5174 2.3388 2.3388 2.7203 2.7203 5.6791 5.6791 6.3075 6.3075 6.4841 6.4841 7.3296 7.3296 8.2422 8.2422 9.4493 9.4493 11.5256 11.5256 12.1177 12.1177 13.1060 13.1060 k = 0.5504 0.1477-0.2518 ( 3352 PWs) bands (ev): -4.9598 -4.9598 -4.5396 -4.5396 -4.1654 -4.1654 -3.8741 -3.8741 -3.7555 -3.7555 -3.6699 -3.6699 -2.1038 -2.1038 -1.9694 -1.9694 -1.9335 -1.9335 -1.6208 -1.6208 -1.5391 -1.5391 -1.5175 -1.5175 2.3211 2.3211 2.7265 2.7265 5.7555 5.7555 6.3670 6.3670 6.5488 6.5488 7.3271 7.3271 8.2872 8.2872 9.4097 9.4097 11.5665 11.5665 12.0988 12.0988 13.1135 13.1135 k = 0.5468 0.1467-0.2280 ( 3356 PWs) bands (ev): -4.9785 -4.9785 -4.5227 -4.5227 -4.1660 -4.1660 -3.8962 -3.8962 -3.7571 -3.7571 -3.6745 -3.6745 -2.1084 -2.1084 -1.9724 -1.9724 -1.9421 -1.9421 -1.6222 -1.6222 -1.5413 -1.5413 -1.5174 -1.5174 2.3025 2.3025 2.7322 2.7322 5.8366 5.8366 6.4224 6.4224 6.6165 6.6165 7.3235 7.3235 8.3233 8.3233 9.3604 9.3604 11.6077 11.6077 12.0819 12.0819 13.1326 13.1326 k = 0.5432 0.1458-0.2042 ( 3352 PWs) bands (ev): -4.9965 -4.9965 -4.5048 -4.5048 -4.1667 -4.1667 -3.9189 -3.9189 -3.7585 -3.7585 -3.6782 -3.6782 -2.1132 -2.1132 -1.9754 -1.9754 -1.9492 -1.9492 -1.6236 -1.6236 -1.5433 -1.5433 -1.5173 -1.5173 2.2836 2.2836 2.7371 2.7371 5.9218 5.9218 6.4740 6.4740 6.6862 6.6862 7.3189 7.3189 8.3509 8.3509 9.3022 9.3022 11.6439 11.6439 12.0743 12.0743 13.1606 13.1606 k = 0.5396 0.1448-0.1804 ( 3353 PWs) bands (ev): -5.0135 -5.0135 -4.4861 -4.4861 -4.1675 -4.1675 -3.9422 -3.9422 -3.7598 -3.7598 -3.6814 -3.6814 -2.1181 -2.1181 -1.9785 -1.9785 -1.9549 -1.9549 -1.6249 -1.6249 -1.5452 -1.5452 -1.5171 -1.5171 2.2652 2.2652 2.7411 2.7411 6.0102 6.0102 6.5225 6.5225 6.7566 6.7566 7.3133 7.3133 8.3706 8.3706 9.2360 9.2360 11.6669 11.6669 12.0857 12.0857 13.1941 13.1941 k = 0.5360 0.1438-0.1566 ( 3351 PWs) bands (ev): -5.0294 -5.0294 -4.4667 -4.4667 -4.1683 -4.1683 -3.9658 -3.9658 -3.7610 -3.7610 -3.6840 -3.6840 -2.1230 -2.1230 -1.9817 -1.9817 -1.9593 -1.9593 -1.6262 -1.6262 -1.5470 -1.5470 -1.5169 -1.5169 2.2474 2.2474 2.7441 2.7441 6.1006 6.1006 6.5683 6.5683 6.8264 6.8264 7.3068 7.3068 8.3830 8.3830 9.1633 9.1633 11.6707 11.6707 12.1230 12.1230 13.2293 13.2293 k = 0.5324 0.1429-0.1329 ( 3350 PWs) bands (ev): -5.0442 -5.0442 -4.4468 -4.4468 -4.1692 -4.1692 -3.9894 -3.9894 -3.7622 -3.7622 -3.6862 -3.6862 -2.1278 -2.1278 -1.9848 -1.9848 -1.9627 -1.9627 -1.6274 -1.6274 -1.5485 -1.5485 -1.5166 -1.5166 2.2308 2.2308 2.7462 2.7462 6.1920 6.1920 6.6117 6.6117 6.8944 6.8944 7.2994 7.2994 8.3889 8.3889 9.0859 9.0859 11.6569 11.6569 12.1853 12.1853 13.2629 13.2629 k = 0.5288 0.1419-0.1091 ( 3350 PWs) bands (ev): -5.0576 -5.0576 -4.4265 -4.4265 -4.1702 -4.1702 -4.0129 -4.0129 -3.7632 -3.7632 -3.6881 -3.6881 -2.1324 -2.1324 -1.9877 -1.9877 -1.9653 -1.9653 -1.6285 -1.6285 -1.5499 -1.5499 -1.5164 -1.5164 2.2155 2.2155 2.7477 2.7477 6.2829 6.2829 6.6530 6.6530 6.9595 6.9595 7.2913 7.2913 8.3892 8.3892 9.0058 9.0058 11.6317 11.6317 12.2661 12.2661 13.2915 13.2915 k = 0.5252 0.1409-0.0853 ( 3340 PWs) bands (ev): -5.0696 -5.0696 -4.4058 -4.4058 -4.1715 -4.1715 -4.0361 -4.0361 -3.7641 -3.7641 -3.6896 -3.6896 -2.1367 -2.1367 -1.9904 -1.9904 -1.9672 -1.9672 -1.6296 -1.6296 -1.5511 -1.5511 -1.5161 -1.5161 2.2016 2.2016 2.7485 2.7485 6.3714 6.3714 6.6925 6.6925 7.0204 7.0204 7.2827 7.2827 8.3849 8.3849 8.9251 8.9251 11.6014 11.6014 12.3584 12.3584 13.3122 13.3122 k = 0.5216 0.1400-0.0615 ( 3333 PWs) bands (ev): -5.0801 -5.0801 -4.3850 -4.3850 -4.1733 -4.1733 -4.0585 -4.0585 -3.7649 -3.7649 -3.6909 -3.6909 -2.1405 -2.1405 -1.9927 -1.9927 -1.9687 -1.9687 -1.6305 -1.6305 -1.5522 -1.5522 -1.5158 -1.5158 2.1893 2.1893 2.7489 2.7489 6.4553 6.4553 6.7304 6.7304 7.0758 7.0758 7.2738 7.2738 8.3770 8.3770 8.8463 8.8463 11.5702 11.5702 12.4569 12.4569 13.3228 13.3228 k = 0.5180 0.1390-0.0377 ( 3337 PWs) bands (ev): -5.0891 -5.0891 -4.3643 -4.3643 -4.1757 -4.1757 -4.0797 -4.0797 -3.7656 -3.7656 -3.6919 -3.6919 -2.1439 -2.1439 -1.9947 -1.9947 -1.9698 -1.9698 -1.6313 -1.6313 -1.5531 -1.5531 -1.5156 -1.5156 2.1788 2.1788 2.7490 2.7490 6.5317 6.5317 6.7671 6.7671 7.1245 7.1245 7.2650 7.2650 8.3668 8.3668 8.7719 8.7719 11.5409 11.5409 12.5571 12.5571 13.3222 13.3222 k = 0.5144 0.1380-0.0139 ( 3333 PWs) bands (ev): -5.0965 -5.0965 -4.3440 -4.3440 -4.1794 -4.1794 -4.0987 -4.0987 -3.7662 -3.7662 -3.6927 -3.6927 -2.1467 -2.1467 -1.9964 -1.9964 -1.9706 -1.9706 -1.6320 -1.6320 -1.5538 -1.5538 -1.5154 -1.5154 2.1701 2.1701 2.7489 2.7489 6.5972 6.5972 6.8030 6.8030 7.1651 7.1651 7.2568 7.2568 8.3556 8.3556 8.7049 8.7049 11.5152 11.5152 12.6550 12.6550 13.3104 13.3104 k = 0.5108 0.1371 0.0098 ( 3332 PWs) bands (ev): -5.1023 -5.1023 -4.3246 -4.3246 -4.1849 -4.1849 -4.1145 -4.1145 -3.7666 -3.7666 -3.6934 -3.6934 -2.1489 -2.1489 -1.9977 -1.9977 -1.9712 -1.9712 -1.6326 -1.6326 -1.5544 -1.5544 -1.5152 -1.5152 2.1632 2.1632 2.7487 2.7487 6.6489 6.6489 6.8373 6.8373 7.1965 7.1965 7.2499 7.2499 8.3450 8.3450 8.6482 8.6482 11.4943 11.4943 12.7464 12.7464 13.2888 13.2888 k = 0.5072 0.1361 0.0336 ( 3332 PWs) bands (ev): -5.1065 -5.1065 -4.3072 -4.3072 -4.1922 -4.1922 -4.1259 -4.1259 -3.7670 -3.7670 -3.6938 -3.6938 -2.1505 -2.1505 -1.9986 -1.9986 -1.9716 -1.9716 -1.6330 -1.6330 -1.5548 -1.5548 -1.5151 -1.5151 2.1583 2.1583 2.7485 2.7485 6.6850 6.6850 6.8673 6.8673 7.2172 7.2172 7.2457 7.2457 8.3362 8.3362 8.6049 8.6049 11.4788 11.4788 12.8255 12.8255 13.2613 13.2613 k = 0.5036 0.1351 0.0574 ( 3336 PWs) bands (ev): -5.1090 -5.1090 -4.2942 -4.2942 -4.1997 -4.1997 -4.1324 -4.1324 -3.7672 -3.7672 -3.6941 -3.6941 -2.1515 -2.1515 -1.9991 -1.9991 -1.9719 -1.9719 -1.6332 -1.6332 -1.5551 -1.5551 -1.5150 -1.5150 2.1553 2.1553 2.7483 2.7483 6.7061 6.7061 6.8884 6.8884 7.2264 7.2264 7.2458 7.2458 8.3304 8.3304 8.5776 8.5776 11.4694 11.4694 12.8829 12.8829 13.2354 13.2354 k = 0.5000 0.1342 0.0812 ( 3336 PWs) bands (ev): -5.1098 -5.1098 -4.2890 -4.2890 -4.2030 -4.2030 -4.1344 -4.1344 -3.7672 -3.7672 -3.6941 -3.6941 -2.1519 -2.1519 -1.9993 -1.9993 -1.9720 -1.9720 -1.6333 -1.6333 -1.5552 -1.5552 -1.5150 -1.5150 2.1543 2.1543 2.7483 2.7483 6.7129 6.7129 6.8961 6.8961 7.2280 7.2280 7.2471 7.2471 8.3284 8.3284 8.5683 8.5683 11.4662 11.4662 12.9049 12.9049 13.2241 13.2241 k = 0.5000-0.8647-0.5232 ( 3364 PWs) bands (ev): -4.9298 -4.9298 -4.2627 -4.2627 -4.1566 -4.1566 -3.7317 -3.7317 -3.4786 -3.4786 -3.4088 -3.4088 -2.0732 -2.0732 -1.8885 -1.8885 -1.6065 -1.6065 -1.4976 -1.4976 -1.4353 -1.4353 -1.3732 -1.3732 1.7353 1.7353 2.7389 2.7389 4.5249 4.5249 5.6631 5.6631 5.6804 5.6804 6.8596 6.8596 6.9069 6.9069 8.0176 8.0176 11.0081 11.0081 12.3933 12.3933 13.3530 13.3530 k = 0.5211-0.8557-0.5178 ( 3367 PWs) bands (ev): -4.9301 -4.9301 -4.2619 -4.2619 -4.1566 -4.1566 -3.7317 -3.7317 -3.4811 -3.4811 -3.4068 -3.4068 -2.0732 -2.0732 -1.8885 -1.8885 -1.6067 -1.6067 -1.4984 -1.4984 -1.4397 -1.4397 -1.3678 -1.3678 1.7330 1.7330 2.7433 2.7433 4.5209 4.5209 5.6675 5.6675 5.6805 5.6805 6.8613 6.8613 6.8929 6.8929 8.0329 8.0329 10.9972 10.9972 12.4001 12.4001 13.3418 13.3418 k = 0.5423-0.8468-0.5124 ( 3368 PWs) bands (ev): -4.9309 -4.9309 -4.2594 -4.2594 -4.1567 -4.1567 -3.7317 -3.7317 -3.4879 -3.4879 -3.4016 -3.4016 -2.0733 -2.0733 -1.8887 -1.8887 -1.6074 -1.6074 -1.5009 -1.5009 -1.4490 -1.4490 -1.3546 -1.3546 1.7260 1.7260 2.7565 2.7565 4.5095 4.5095 5.6698 5.6698 5.6914 5.6914 6.8468 6.8468 6.8726 6.8726 8.0765 8.0765 10.9655 10.9655 12.4188 12.4188 13.3104 13.3104 k = 0.5634-0.8378-0.5069 ( 3370 PWs) bands (ev): -4.9323 -4.9323 -4.2552 -4.2552 -4.1567 -4.1567 -3.7317 -3.7317 -3.4978 -3.4978 -3.3945 -3.3945 -2.0735 -2.0735 -1.8889 -1.8889 -1.6085 -1.6085 -1.5058 -1.5058 -1.4587 -1.4587 -1.3380 -1.3380 1.7149 1.7149 2.7778 2.7778 4.4916 4.4916 5.6636 5.6636 5.7187 5.7187 6.7857 6.7857 6.8821 6.8821 8.1429 8.1429 10.9155 10.9155 12.4459 12.4459 13.2643 13.2643 k = 0.5845-0.8289-0.5015 ( 3368 PWs) bands (ev): -4.9342 -4.9342 -4.2494 -4.2494 -4.1567 -4.1567 -3.7318 -3.7318 -3.5097 -3.5097 -3.3864 -3.3864 -2.0738 -2.0738 -1.8892 -1.8892 -1.6104 -1.6104 -1.5136 -1.5136 -1.4660 -1.4660 -1.3198 -1.3198 1.7003 1.7003 2.8064 2.8064 4.4685 4.4685 5.6538 5.6538 5.7558 5.7558 6.7082 6.7082 6.8971 6.8971 8.2260 8.2260 10.8505 10.8505 12.4755 12.4755 13.2103 13.2103 k = 0.6056-0.8199-0.4961 ( 3366 PWs) bands (ev): -4.9365 -4.9365 -4.2421 -4.2421 -4.1568 -4.1568 -3.7318 -3.7318 -3.5229 -3.5229 -3.3780 -3.3780 -2.0741 -2.0741 -1.8896 -1.8896 -1.6130 -1.6130 -1.5237 -1.5237 -1.4706 -1.4706 -1.3009 -1.3009 1.6831 1.6831 2.8413 2.8413 4.4417 4.4417 5.6415 5.6415 5.7997 5.7997 6.6218 6.6218 6.9159 6.9159 8.3207 8.3207 10.7740 10.7740 12.5010 12.5010 13.1551 13.1551 k = 0.6268-0.8110-0.4907 ( 3370 PWs) bands (ev): -4.9392 -4.9392 -4.2334 -4.2334 -4.1569 -4.1569 -3.7319 -3.7319 -3.5373 -3.5373 -3.3695 -3.3695 -2.0745 -2.0745 -1.8901 -1.8901 -1.6168 -1.6168 -1.5345 -1.5345 -1.4731 -1.4731 -1.2818 -1.2818 1.6640 1.6640 2.8815 2.8815 4.4128 4.4128 5.6271 5.6271 5.8473 5.8473 6.5320 6.5320 6.9379 6.9379 8.4233 8.4233 10.6891 10.6891 12.5150 12.5150 13.1050 13.1050 k = 0.6479-0.8021-0.4853 ( 3370 PWs) bands (ev): -4.9422 -4.9422 -4.2233 -4.2233 -4.1569 -4.1569 -3.7320 -3.7320 -3.5525 -3.5525 -3.3613 -3.3613 -2.0749 -2.0749 -1.8906 -1.8906 -1.6219 -1.6219 -1.5448 -1.5448 -1.4745 -1.4745 -1.2628 -1.2628 1.6437 1.6437 2.9257 2.9257 4.3833 4.3833 5.6108 5.6108 5.8938 5.8938 6.4449 6.4449 6.9624 6.9624 8.5310 8.5310 10.5983 10.5983 12.5108 12.5108 13.0644 13.0644 k = 0.6690-0.7931-0.4799 ( 3372 PWs) bands (ev): -4.9454 -4.9454 -4.2121 -4.2121 -4.1570 -4.1570 -3.7321 -3.7321 -3.5684 -3.5684 -3.3533 -3.3533 -2.0754 -2.0754 -1.8912 -1.8912 -1.6286 -1.6286 -1.5537 -1.5537 -1.4752 -1.4752 -1.2439 -1.2439 1.6230 1.6230 2.9729 2.9729 4.3545 4.3545 5.5931 5.5931 5.9307 5.9307 6.3701 6.3701 6.9888 6.9888 8.6418 8.6418 10.5039 10.5039 12.4853 12.4853 13.0342 13.0342 k = 0.6902-0.7842-0.4745 ( 3377 PWs) bands (ev): -4.9488 -4.9488 -4.1998 -4.1998 -4.1571 -4.1571 -3.7323 -3.7323 -3.5850 -3.5850 -3.3457 -3.3457 -2.0760 -2.0760 -1.8919 -1.8919 -1.6370 -1.6370 -1.5608 -1.5608 -1.4755 -1.4755 -1.2254 -1.2254 1.6024 1.6024 3.0218 3.0218 4.3276 4.3276 5.5737 5.5737 5.9429 5.9429 6.3235 6.3235 7.0165 7.0165 8.7541 8.7541 10.4078 10.4078 12.4401 12.4401 13.0105 13.0105 k = 0.7113-0.7752-0.4691 ( 3373 PWs) bands (ev): -4.9522 -4.9522 -4.1865 -4.1865 -4.1571 -4.1571 -3.7324 -3.7324 -3.6022 -3.6022 -3.3384 -3.3384 -2.0766 -2.0766 -1.8925 -1.8925 -1.6465 -1.6465 -1.5662 -1.5662 -1.4754 -1.4754 -1.2074 -1.2074 1.5824 1.5824 3.0714 3.0714 4.3036 4.3036 5.5526 5.5526 5.9163 5.9163 6.3200 6.3200 7.0451 7.0451 8.8666 8.8666 10.3116 10.3116 12.3798 12.3798 12.9873 12.9873 k = 0.7324-0.7663-0.4637 ( 3371 PWs) bands (ev): -4.9556 -4.9556 -4.1726 -4.1726 -4.1570 -4.1570 -3.7327 -3.7327 -3.6198 -3.6198 -3.3315 -3.3315 -2.0772 -2.0772 -1.8932 -1.8932 -1.6569 -1.6569 -1.5701 -1.5701 -1.4753 -1.4753 -1.1900 -1.1900 1.5634 1.5634 3.1205 3.1205 4.2834 4.2834 5.5290 5.5290 5.8574 5.8574 6.3543 6.3543 7.0737 7.0737 8.9776 8.9776 10.2173 10.2173 12.3094 12.3094 12.9596 12.9596 k = 0.7536-0.7573-0.4582 ( 3373 PWs) bands (ev): -4.9589 -4.9589 -4.1602 -4.1602 -4.1547 -4.1547 -3.7330 -3.7330 -3.6379 -3.6379 -3.3251 -3.3251 -2.0779 -2.0779 -1.8940 -1.8940 -1.6675 -1.6675 -1.5729 -1.5729 -1.4750 -1.4750 -1.1733 -1.1733 1.5457 1.5457 3.1680 3.1680 4.2676 4.2676 5.5012 5.5012 5.7848 5.7848 6.4100 6.4100 7.1020 7.1020 9.0855 9.0855 10.1267 10.1267 12.2325 12.2325 12.9251 12.9251 k = 0.7747-0.7484-0.4528 ( 3378 PWs) bands (ev): -4.9621 -4.9621 -4.1582 -4.1582 -4.1415 -4.1415 -3.7334 -3.7334 -3.6562 -3.6562 -3.3191 -3.3191 -2.0785 -2.0785 -1.8947 -1.8947 -1.6780 -1.6780 -1.5750 -1.5750 -1.4747 -1.4747 -1.1574 -1.1574 1.5296 1.5296 3.2128 3.2128 4.2567 4.2567 5.4664 5.4664 5.7132 5.7132 6.4760 6.4760 7.1294 7.1294 9.1877 9.1877 10.0429 10.0429 12.1520 12.1520 12.8843 12.8843 k = 0.7958-0.7394-0.4474 ( 3380 PWs) bands (ev): -4.9651 -4.9651 -4.1581 -4.1581 -4.1261 -4.1261 -3.7341 -3.7341 -3.6745 -3.6745 -3.3135 -3.3135 -2.0792 -2.0792 -1.8954 -1.8954 -1.6881 -1.6881 -1.5766 -1.5766 -1.4744 -1.4744 -1.1425 -1.1425 1.5152 1.5152 3.2540 3.2540 4.2505 4.2505 5.4211 5.4211 5.6524 5.6524 6.5465 6.5465 7.1554 7.1554 9.2799 9.2799 9.9700 9.9700 12.0696 12.0696 12.8389 12.8389 k = 0.8169-0.7305-0.4420 ( 3380 PWs) bands (ev): -4.9677 -4.9677 -4.1582 -4.1582 -4.1103 -4.1103 -3.7354 -3.7354 -3.6924 -3.6924 -3.3084 -3.3084 -2.0798 -2.0798 -1.8961 -1.8961 -1.6976 -1.6976 -1.5778 -1.5778 -1.4740 -1.4740 -1.1285 -1.1285 1.5028 1.5028 3.2910 3.2910 4.2483 4.2483 5.3649 5.3649 5.6072 5.6072 6.6184 6.6184 7.1795 7.1795 9.3550 9.3550 9.9152 9.9152 11.9867 11.9867 12.7917 12.7917 Writing output data file TlS.save init_run : 0.30s CPU 0.56s WALL ( 1 calls) electrons : 163.58s CPU 165.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.03s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 163.58s CPU 165.55s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 307 calls) cegterg : 147.00s CPU 148.35s WALL ( 352 calls) Called by sum_band: Called by *egterg: h_psi : 115.68s CPU 116.70s WALL ( 6322 calls) s_psi : 3.45s CPU 3.54s WALL ( 6322 calls) g_psi : 0.13s CPU 0.14s WALL ( 5663 calls) cdiaghg : 32.53s CPU 32.94s WALL ( 5970 calls) cegterg:over : 3.24s CPU 3.33s WALL ( 5663 calls) cegterg:upda : 2.56s CPU 2.60s WALL ( 5663 calls) cegterg:last : 1.57s CPU 1.50s WALL ( 966 calls) cdiaghg:chol : 1.93s CPU 1.83s WALL ( 5970 calls) cdiaghg:inve : 1.22s CPU 1.16s WALL ( 5970 calls) cdiaghg:para : 1.74s CPU 1.89s WALL ( 11940 calls) Called by h_psi: h_psi:vloc : 108.09s CPU 109.05s WALL ( 6322 calls) h_psi:vnl : 7.46s CPU 7.53s WALL ( 6322 calls) add_vuspsi : 4.10s CPU 4.08s WALL ( 6322 calls) General routines calbec : 3.34s CPU 3.44s WALL ( 6322 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 101.84s CPU 102.61s WALL ( 572960 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.17s WALL ( 614 calls) Parallel routines fft_scatter : 23.58s CPU 24.08s WALL ( 572983 calls) PWSCF : 2m56.20s CPU 3m21.94s WALL This run was terminated on: 21:24:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=