Program PWSCF v.5.1.1 starts on 22Nov2015 at 23:37:52 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BixBO2x3.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 18 5 1384 602 94 Max 32 19 6 1387 618 100 Sum 1499 869 253 66517 29307 4633 bravais-lattice index = 14 lattice parameter (alat) = 8.1168 a.u. unit-cell volume = 672.5254 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.116846 celldm(2)= 1.000000 celldm(3)= 1.475770 celldm(4)= 0.213229 celldm(5)= 0.213229 celldm(6)= 0.475506 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.475506 0.879712 0.000000 ) a(3) = ( 0.314676 0.187613 1.429572 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.540524 -0.149182 ) b(2) = ( 0.000000 1.136735 -0.149182 ) b(3) = ( 0.000000 0.000000 0.699510 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) B 3.00 10.81100 B( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0113636 0.0067751 -0.0033905), wk = 0.0028090 k( 3) = ( 0.0227273 0.0135502 -0.0067810), wk = 0.0028090 k( 4) = ( 0.0340909 0.0203254 -0.0101715), wk = 0.0028090 k( 5) = ( 0.0454546 0.0271005 -0.0135620), wk = 0.0028090 k( 6) = ( 0.0568182 0.0338756 -0.0169525), wk = 0.0028090 k( 7) = ( 0.0681818 0.0406507 -0.0203430), wk = 0.0028090 k( 8) = ( 0.0795455 0.0474258 -0.0237335), wk = 0.0028090 k( 9) = ( 0.0909091 0.0542010 -0.0271240), wk = 0.0028090 k( 10) = ( 0.1022727 0.0609761 -0.0305145), wk = 0.0028090 k( 11) = ( 0.1136364 0.0677512 -0.0339050), wk = 0.0028090 k( 12) = ( 0.1250000 0.0745263 -0.0372955), wk = 0.0028090 k( 13) = ( 0.1363636 0.0813015 -0.0406860), wk = 0.0028090 k( 14) = ( 0.1477273 0.0880766 -0.0440765), wk = 0.0028090 k( 15) = ( 0.1590909 0.0948517 -0.0474670), wk = 0.0028090 k( 16) = ( 0.1704546 0.1016268 -0.0508576), wk = 0.0028090 k( 17) = ( 0.1818182 0.1084019 -0.0542481), wk = 0.0028090 k( 18) = ( 0.1931818 0.1151771 -0.0576386), wk = 0.0028090 k( 19) = ( 0.2045454 0.1219522 -0.0610291), wk = 0.0028090 k( 20) = ( 0.2159091 0.1287273 -0.0644196), wk = 0.0028090 k( 21) = ( 0.2272727 0.1355024 -0.0678101), wk = 0.0028090 k( 22) = ( 0.2386364 0.1422775 -0.0712006), wk = 0.0028090 k( 23) = ( 0.2500000 0.1490527 -0.0745911), wk = 0.0028090 k( 24) = ( 0.2613636 0.1558278 -0.0779816), wk = 0.0028090 k( 25) = ( 0.2727273 0.1626029 -0.0813721), wk = 0.0028090 k( 26) = ( 0.2840909 0.1693780 -0.0847626), wk = 0.0028090 k( 27) = ( 0.2954545 0.1761532 -0.0881531), wk = 0.0028090 k( 28) = ( 0.3068182 0.1829283 -0.0915436), wk = 0.0028090 k( 29) = ( 0.3181818 0.1897034 -0.0949341), wk = 0.0028090 k( 30) = ( 0.3295455 0.1964785 -0.0983246), wk = 0.0028090 k( 31) = ( 0.3409091 0.2032536 -0.1017151), wk = 0.0028090 k( 32) = ( 0.3522727 0.2100288 -0.1051056), wk = 0.0028090 k( 33) = ( 0.3636364 0.2168039 -0.1084961), wk = 0.0028090 k( 34) = ( 0.3750000 0.2235790 -0.1118866), wk = 0.0028090 k( 35) = ( 0.3863636 0.2303541 -0.1152771), wk = 0.0028090 k( 36) = ( 0.3977273 0.2371292 -0.1186676), wk = 0.0028090 k( 37) = ( 0.4090909 0.2439044 -0.1220581), wk = 0.0028090 k( 38) = ( 0.4204545 0.2506795 -0.1254486), wk = 0.0028090 k( 39) = ( 0.4318182 0.2574546 -0.1288391), wk = 0.0028090 k( 40) = ( 0.4431818 0.2642297 -0.1322296), wk = 0.0028090 k( 41) = ( 0.4545455 0.2710048 -0.1356201), wk = 0.0028090 k( 42) = ( 0.4659091 0.2777800 -0.1390106), wk = 0.0028090 k( 43) = ( 0.4772727 0.2845551 -0.1424011), wk = 0.0028090 k( 44) = ( 0.4886364 0.2913302 -0.1457916), wk = 0.0028090 k( 45) = ( 0.5000000 0.2981053 -0.1491822), wk = 0.0028090 k( 46) = ( 0.5000000 0.2981053 -0.1491822), wk = 0.0028090 k( 47) = ( 0.5027594 0.2997505 -0.1366463), wk = 0.0028090 k( 48) = ( 0.5055187 0.3013957 -0.1241105), wk = 0.0028090 k( 49) = ( 0.5082781 0.3030408 -0.1115747), wk = 0.0028090 k( 50) = ( 0.5110375 0.3046860 -0.0990389), wk = 0.0028090 k( 51) = ( 0.5137968 0.3063312 -0.0865031), wk = 0.0028090 k( 52) = ( 0.5165562 0.3079763 -0.0739673), wk = 0.0028090 k( 53) = ( 0.5193156 0.3096215 -0.0614315), wk = 0.0028090 k( 54) = ( 0.5220750 0.3112667 -0.0488957), wk = 0.0028090 k( 55) = ( 0.5248343 0.3129118 -0.0363599), wk = 0.0028090 k( 56) = ( 0.5275937 0.3145570 -0.0238241), wk = 0.0028090 k( 57) = ( 0.5303531 0.3162022 -0.0112883), wk = 0.0028090 k( 58) = ( 0.5331124 0.3178473 0.0012475), wk = 0.0028090 k( 59) = ( 0.5358718 0.3194925 0.0137833), wk = 0.0028090 k( 60) = ( 0.5386312 0.3211377 0.0263191), wk = 0.0028090 k( 61) = ( 0.5413906 0.3227828 0.0388549), wk = 0.0028090 k( 62) = ( 0.5441499 0.3244280 0.0513907), wk = 0.0028090 k( 63) = ( 0.5441499 0.3244280 0.0513907), wk = 0.0028090 k( 64) = ( 0.5404708 0.3222344 0.0638226), wk = 0.0028090 k( 65) = ( 0.5367916 0.3200409 0.0762544), wk = 0.0028090 k( 66) = ( 0.5331124 0.3178473 0.0886862), wk = 0.0028090 k( 67) = ( 0.5294333 0.3156538 0.1011181), wk = 0.0028090 k( 68) = ( 0.5257541 0.3134602 0.1135499), wk = 0.0028090 k( 69) = ( 0.5220750 0.3112667 0.1259818), wk = 0.0028090 k( 70) = ( 0.5183958 0.3090731 0.1384136), wk = 0.0028090 k( 71) = ( 0.5147166 0.3068795 0.1508455), wk = 0.0028090 k( 72) = ( 0.5110375 0.3046860 0.1632773), wk = 0.0028090 k( 73) = ( 0.5073583 0.3024924 0.1757092), wk = 0.0028090 k( 74) = ( 0.5036792 0.3002989 0.1881410), wk = 0.0028090 k( 75) = ( 0.5000000 0.2981053 0.2005729), wk = 0.0028090 k( 76) = ( 0.5000000 0.2981053 0.2005729), wk = 0.0028090 k( 77) = ( 0.5067653 0.2867582 0.2005729), wk = 0.0028090 k( 78) = ( 0.5135306 0.2754110 0.2005729), wk = 0.0028090 k( 79) = ( 0.5202959 0.2640638 0.2005729), wk = 0.0028090 k( 80) = ( 0.5270613 0.2527166 0.2005729), wk = 0.0028090 k( 81) = ( 0.5338266 0.2413694 0.2005729), wk = 0.0028090 k( 82) = ( 0.5405919 0.2300222 0.2005729), wk = 0.0028090 k( 83) = ( 0.5473572 0.2186750 0.2005729), wk = 0.0028090 k( 84) = ( 0.5541225 0.2073279 0.2005729), wk = 0.0028090 k( 85) = ( 0.5608878 0.1959807 0.2005729), wk = 0.0028090 k( 86) = ( 0.5676531 0.1846335 0.2005729), wk = 0.0028090 k( 87) = ( 0.5744184 0.1732863 0.2005729), wk = 0.0028090 k( 88) = ( 0.5811838 0.1619391 0.2005729), wk = 0.0028090 k( 89) = ( 0.5879491 0.1505919 0.2005729), wk = 0.0028090 k( 90) = ( 0.5947144 0.1392447 0.2005729), wk = 0.0028090 k( 91) = ( 0.6014797 0.1278975 0.2005729), wk = 0.0028090 k( 92) = ( 0.6082450 0.1165504 0.2005729), wk = 0.0028090 k( 93) = ( 0.6150103 0.1052032 0.2005729), wk = 0.0028090 k( 94) = ( 0.6217756 0.0938560 0.2005729), wk = 0.0028090 k( 95) = ( 0.6285409 0.0825088 0.2005729), wk = 0.0028090 k( 96) = ( 0.6353063 0.0711616 0.2005729), wk = 0.0028090 k( 97) = ( 0.6420716 0.0598144 0.2005729), wk = 0.0028090 k( 98) = ( 0.6488369 0.0484672 0.2005729), wk = 0.0028090 k( 99) = ( 0.6556022 0.0371201 0.2005729), wk = 0.0028090 k( 100) = ( 0.6623675 0.0257729 0.2005729), wk = 0.0028090 k( 101) = ( 0.6691328 0.0144257 0.2005729), wk = 0.0028090 k( 102) = ( 0.6758981 0.0030785 0.2005729), wk = 0.0028090 k( 103) = ( 0.6826634 -0.0082687 0.2005729), wk = 0.0028090 k( 104) = ( 0.3173365 -0.5322557 0.3497550), wk = 0.0028090 k( 105) = ( 0.3104379 -0.5206850 0.3497550), wk = 0.0028090 k( 106) = ( 0.3035393 -0.5091142 0.3497550), wk = 0.0028090 k( 107) = ( 0.2966407 -0.4975434 0.3497550), wk = 0.0028090 k( 108) = ( 0.2897421 -0.4859726 0.3497550), wk = 0.0028090 k( 109) = ( 0.2828434 -0.4744019 0.3497550), wk = 0.0028090 k( 110) = ( 0.2759448 -0.4628311 0.3497550), wk = 0.0028090 k( 111) = ( 0.2690462 -0.4512603 0.3497550), wk = 0.0028090 k( 112) = ( 0.2621476 -0.4396895 0.3497550), wk = 0.0028090 k( 113) = ( 0.2552490 -0.4281187 0.3497550), wk = 0.0028090 k( 114) = ( 0.2483503 -0.4165480 0.3497550), wk = 0.0028090 k( 115) = ( 0.2414517 -0.4049772 0.3497550), wk = 0.0028090 k( 116) = ( 0.2345531 -0.3934064 0.3497550), wk = 0.0028090 k( 117) = ( 0.2276545 -0.3818356 0.3497550), wk = 0.0028090 k( 118) = ( 0.2207559 -0.3702649 0.3497550), wk = 0.0028090 k( 119) = ( 0.2138572 -0.3586941 0.3497550), wk = 0.0028090 k( 120) = ( 0.2069586 -0.3471233 0.3497550), wk = 0.0028090 k( 121) = ( 0.2000600 -0.3355525 0.3497550), wk = 0.0028090 k( 122) = ( 0.1931614 -0.3239818 0.3497550), wk = 0.0028090 k( 123) = ( 0.1862628 -0.3124110 0.3497550), wk = 0.0028090 k( 124) = ( 0.1793641 -0.3008402 0.3497550), wk = 0.0028090 k( 125) = ( 0.1724655 -0.2892694 0.3497550), wk = 0.0028090 k( 126) = ( 0.1655669 -0.2776986 0.3497550), wk = 0.0028090 k( 127) = ( 0.1586683 -0.2661279 0.3497550), wk = 0.0028090 k( 128) = ( 0.1517697 -0.2545571 0.3497550), wk = 0.0028090 k( 129) = ( 0.1448710 -0.2429863 0.3497550), wk = 0.0028090 k( 130) = ( 0.1379724 -0.2314155 0.3497550), wk = 0.0028090 k( 131) = ( 0.1310738 -0.2198448 0.3497550), wk = 0.0028090 k( 132) = ( 0.1241752 -0.2082740 0.3497550), wk = 0.0028090 k( 133) = ( 0.1172765 -0.1967032 0.3497550), wk = 0.0028090 k( 134) = ( 0.1103779 -0.1851324 0.3497550), wk = 0.0028090 k( 135) = ( 0.1034793 -0.1735617 0.3497550), wk = 0.0028090 k( 136) = ( 0.0965807 -0.1619909 0.3497550), wk = 0.0028090 k( 137) = ( 0.0896821 -0.1504201 0.3497550), wk = 0.0028090 k( 138) = ( 0.0827834 -0.1388493 0.3497550), wk = 0.0028090 k( 139) = ( 0.0758848 -0.1272786 0.3497550), wk = 0.0028090 k( 140) = ( 0.0689862 -0.1157078 0.3497550), wk = 0.0028090 k( 141) = ( 0.0620876 -0.1041370 0.3497550), wk = 0.0028090 k( 142) = ( 0.0551890 -0.0925662 0.3497550), wk = 0.0028090 k( 143) = ( 0.0482903 -0.0809954 0.3497550), wk = 0.0028090 k( 144) = ( 0.0413917 -0.0694247 0.3497550), wk = 0.0028090 k( 145) = ( 0.0344931 -0.0578539 0.3497550), wk = 0.0028090 k( 146) = ( 0.0275945 -0.0462831 0.3497550), wk = 0.0028090 k( 147) = ( 0.0206959 -0.0347123 0.3497550), wk = 0.0028090 k( 148) = ( 0.0137972 -0.0231416 0.3497550), wk = 0.0028090 k( 149) = ( 0.0068986 -0.0115708 0.3497550), wk = 0.0028090 k( 150) = ( 0.0000000 0.0000000 0.3497550), wk = 0.0028090 k( 151) = ( 0.0000000 0.0000000 0.3497550), wk = 0.0028090 k( 152) = ( 0.0116885 0.0069688 0.3497550), wk = 0.0028090 k( 153) = ( 0.0233769 0.0139376 0.3497550), wk = 0.0028090 k( 154) = ( 0.0350654 0.0209064 0.3497550), wk = 0.0028090 k( 155) = ( 0.0467538 0.0278751 0.3497550), wk = 0.0028090 k( 156) = ( 0.0584423 0.0348439 0.3497550), wk = 0.0028090 k( 157) = ( 0.0701308 0.0418127 0.3497550), wk = 0.0028090 k( 158) = ( 0.0818192 0.0487815 0.3497550), wk = 0.0028090 k( 159) = ( 0.0935077 0.0557503 0.3497550), wk = 0.0028090 k( 160) = ( 0.1051962 0.0627191 0.3497550), wk = 0.0028090 k( 161) = ( 0.1168846 0.0696879 0.3497550), wk = 0.0028090 k( 162) = ( 0.1285731 0.0766567 0.3497550), wk = 0.0028090 k( 163) = ( 0.1402616 0.0836254 0.3497550), wk = 0.0028090 k( 164) = ( 0.1519500 0.0905942 0.3497550), wk = 0.0028090 k( 165) = ( 0.1636385 0.0975630 0.3497550), wk = 0.0028090 k( 166) = ( 0.1753270 0.1045318 0.3497550), wk = 0.0028090 k( 167) = ( 0.1870154 0.1115006 0.3497550), wk = 0.0028090 k( 168) = ( 0.1987039 0.1184694 0.3497550), wk = 0.0028090 k( 169) = ( 0.2103923 0.1254382 0.3497550), wk = 0.0028090 k( 170) = ( 0.2220808 0.1324069 0.3497550), wk = 0.0028090 k( 171) = ( 0.2337693 0.1393757 0.3497550), wk = 0.0028090 k( 172) = ( 0.2454577 0.1463445 0.3497550), wk = 0.0028090 k( 173) = ( 0.2571462 0.1533133 0.3497550), wk = 0.0028090 k( 174) = ( 0.2688347 0.1602821 0.3497550), wk = 0.0028090 k( 175) = ( 0.2805231 0.1672509 0.3497550), wk = 0.0028090 k( 176) = ( 0.2922116 0.1742197 0.3497550), wk = 0.0028090 k( 177) = ( 0.3039000 0.1811884 0.3497550), wk = 0.0028090 k( 178) = ( 0.3155885 0.1881572 0.3497550), wk = 0.0028090 k( 179) = ( 0.3272770 0.1951260 0.3497550), wk = 0.0028090 k( 180) = ( 0.3389654 0.2020948 0.3497550), wk = 0.0028090 k( 181) = ( 0.3506539 0.2090636 0.3497550), wk = 0.0028090 k( 182) = ( 0.3623424 0.2160324 0.3497550), wk = 0.0028090 k( 183) = ( 0.3740308 0.2230012 0.3497550), wk = 0.0028090 k( 184) = ( 0.3857193 0.2299700 0.3497550), wk = 0.0028090 k( 185) = ( 0.3974078 0.2369387 0.3497550), wk = 0.0028090 k( 186) = ( 0.4090962 0.2439075 0.3497550), wk = 0.0028090 k( 187) = ( 0.4207847 0.2508763 0.3497550), wk = 0.0028090 k( 188) = ( 0.4324731 0.2578451 0.3497550), wk = 0.0028090 k( 189) = ( 0.4441616 0.2648139 0.3497550), wk = 0.0028090 k( 190) = ( 0.4558501 0.2717827 0.3497550), wk = 0.0028090 k( 191) = ( 0.5000000 0.2981053 -0.1491822), wk = 0.0028090 k( 192) = ( 0.5067520 0.2867804 -0.1491822), wk = 0.0028090 k( 193) = ( 0.5135041 0.2754555 -0.1491822), wk = 0.0028090 k( 194) = ( 0.5202561 0.2641306 -0.1491822), wk = 0.0028090 k( 195) = ( 0.5270081 0.2528057 -0.1491822), wk = 0.0028090 k( 196) = ( 0.5337602 0.2414807 -0.1491822), wk = 0.0028090 k( 197) = ( 0.5405122 0.2301558 -0.1491822), wk = 0.0028090 k( 198) = ( 0.5472643 0.2188309 -0.1491822), wk = 0.0028090 k( 199) = ( 0.5540163 0.2075060 -0.1491822), wk = 0.0028090 k( 200) = ( 0.5607683 0.1961811 -0.1491822), wk = 0.0028090 k( 201) = ( 0.5675204 0.1848562 -0.1491822), wk = 0.0028090 k( 202) = ( 0.5742724 0.1735313 -0.1491822), wk = 0.0028090 k( 203) = ( 0.5810244 0.1622063 -0.1491822), wk = 0.0028090 k( 204) = ( 0.5877765 0.1508814 -0.1491822), wk = 0.0028090 k( 205) = ( 0.5945285 0.1395565 -0.1491822), wk = 0.0028090 k( 206) = ( 0.6012805 0.1282316 -0.1491822), wk = 0.0028090 k( 207) = ( 0.6080326 0.1169067 -0.1491822), wk = 0.0028090 k( 208) = ( 0.6147846 0.1055818 -0.1491822), wk = 0.0028090 k( 209) = ( 0.6215366 0.0942568 -0.1491822), wk = 0.0028090 k( 210) = ( 0.6282887 0.0829319 -0.1491822), wk = 0.0028090 k( 211) = ( 0.6350407 0.0716070 -0.1491822), wk = 0.0028090 k( 212) = ( 0.6417928 0.0602821 -0.1491822), wk = 0.0028090 k( 213) = ( 0.6485448 0.0489572 -0.1491822), wk = 0.0028090 k( 214) = ( 0.6552968 0.0376323 -0.1491822), wk = 0.0028090 k( 215) = ( 0.3447032 -0.5781567 -0.0000000), wk = 0.0028090 k( 216) = ( 0.3378091 -0.5665935 -0.0000000), wk = 0.0028090 k( 217) = ( 0.3309150 -0.5550304 -0.0000000), wk = 0.0028090 k( 218) = ( 0.3240210 -0.5434673 -0.0000000), wk = 0.0028090 k( 219) = ( 0.3171269 -0.5319041 -0.0000000), wk = 0.0028090 k( 220) = ( 0.3102329 -0.5203410 -0.0000000), wk = 0.0028090 k( 221) = ( 0.3033388 -0.5087779 -0.0000000), wk = 0.0028090 k( 222) = ( 0.2964447 -0.4972147 -0.0000000), wk = 0.0028090 k( 223) = ( 0.2895507 -0.4856516 -0.0000000), wk = 0.0028090 k( 224) = ( 0.2826566 -0.4740885 -0.0000000), wk = 0.0028090 k( 225) = ( 0.2757625 -0.4625253 -0.0000000), wk = 0.0028090 k( 226) = ( 0.2688685 -0.4509622 -0.0000000), wk = 0.0028090 k( 227) = ( 0.2619744 -0.4393991 -0.0000000), wk = 0.0028090 k( 228) = ( 0.2550804 -0.4278359 -0.0000000), wk = 0.0028090 k( 229) = ( 0.2481863 -0.4162728 -0.0000000), wk = 0.0028090 k( 230) = ( 0.2412922 -0.4047097 -0.0000000), wk = 0.0028090 k( 231) = ( 0.2343982 -0.3931465 -0.0000000), wk = 0.0028090 k( 232) = ( 0.2275041 -0.3815834 -0.0000000), wk = 0.0028090 k( 233) = ( 0.2206100 -0.3700203 -0.0000000), wk = 0.0028090 k( 234) = ( 0.2137160 -0.3584571 -0.0000000), wk = 0.0028090 k( 235) = ( 0.2068219 -0.3468940 -0.0000000), wk = 0.0028090 k( 236) = ( 0.1999278 -0.3353309 -0.0000000), wk = 0.0028090 k( 237) = ( 0.1930338 -0.3237677 -0.0000000), wk = 0.0028090 k( 238) = ( 0.1861397 -0.3122046 -0.0000000), wk = 0.0028090 k( 239) = ( 0.1792457 -0.3006415 -0.0000000), wk = 0.0028090 k( 240) = ( 0.1723516 -0.2890783 -0.0000000), wk = 0.0028090 k( 241) = ( 0.1654575 -0.2775152 -0.0000000), wk = 0.0028090 k( 242) = ( 0.1585635 -0.2659521 -0.0000000), wk = 0.0028090 k( 243) = ( 0.1516694 -0.2543889 -0.0000000), wk = 0.0028090 k( 244) = ( 0.1447753 -0.2428258 -0.0000000), wk = 0.0028090 k( 245) = ( 0.1378813 -0.2312627 -0.0000000), wk = 0.0028090 k( 246) = ( 0.1309872 -0.2196995 -0.0000000), wk = 0.0028090 k( 247) = ( 0.1240931 -0.2081364 -0.0000000), wk = 0.0028090 k( 248) = ( 0.1171991 -0.1965733 -0.0000000), wk = 0.0028090 k( 249) = ( 0.1103050 -0.1850101 -0.0000000), wk = 0.0028090 k( 250) = ( 0.1034110 -0.1734470 -0.0000000), wk = 0.0028090 k( 251) = ( 0.0965169 -0.1618839 -0.0000000), wk = 0.0028090 k( 252) = ( 0.0896228 -0.1503207 -0.0000000), wk = 0.0028090 k( 253) = ( 0.0827288 -0.1387576 -0.0000000), wk = 0.0028090 k( 254) = ( 0.0758347 -0.1271945 -0.0000000), wk = 0.0028090 k( 255) = ( 0.0689406 -0.1156313 -0.0000000), wk = 0.0028090 k( 256) = ( 0.0620466 -0.1040682 -0.0000000), wk = 0.0028090 k( 257) = ( 0.0551525 -0.0925051 -0.0000000), wk = 0.0028090 k( 258) = ( 0.0482584 -0.0809419 -0.0000000), wk = 0.0028090 k( 259) = ( 0.0413644 -0.0693788 -0.0000000), wk = 0.0028090 k( 260) = ( 0.0344703 -0.0578157 -0.0000000), wk = 0.0028090 k( 261) = ( 0.0275763 -0.0462525 -0.0000000), wk = 0.0028090 k( 262) = ( 0.0206822 -0.0346894 -0.0000000), wk = 0.0028090 k( 263) = ( 0.0137881 -0.0231263 -0.0000000), wk = 0.0028090 k( 264) = ( 0.0068941 -0.0115631 -0.0000000), wk = 0.0028090 k( 265) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 266) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 267) = ( 0.0119048 -0.0064348 -0.0017760), wk = 0.0028090 k( 268) = ( 0.0238095 -0.0128696 -0.0035520), wk = 0.0028090 k( 269) = ( 0.0357143 -0.0193044 -0.0053279), wk = 0.0028090 k( 270) = ( 0.0476191 -0.0257393 -0.0071039), wk = 0.0028090 k( 271) = ( 0.0595238 -0.0321741 -0.0088799), wk = 0.0028090 k( 272) = ( 0.0714286 -0.0386089 -0.0106559), wk = 0.0028090 k( 273) = ( 0.0833333 -0.0450437 -0.0124318), wk = 0.0028090 k( 274) = ( 0.0952381 -0.0514785 -0.0142078), wk = 0.0028090 k( 275) = ( 0.1071429 -0.0579133 -0.0159838), wk = 0.0028090 k( 276) = ( 0.1190476 -0.0643481 -0.0177598), wk = 0.0028090 k( 277) = ( 0.1309524 -0.0707830 -0.0195358), wk = 0.0028090 k( 278) = ( 0.1428571 -0.0772178 -0.0213117), wk = 0.0028090 k( 279) = ( 0.1547619 -0.0836526 -0.0230877), wk = 0.0028090 k( 280) = ( 0.1666667 -0.0900874 -0.0248637), wk = 0.0028090 k( 281) = ( 0.1785714 -0.0965222 -0.0266397), wk = 0.0028090 k( 282) = ( 0.1904762 -0.1029570 -0.0284156), wk = 0.0028090 k( 283) = ( 0.2023810 -0.1093918 -0.0301916), wk = 0.0028090 k( 284) = ( 0.2142857 -0.1158267 -0.0319676), wk = 0.0028090 k( 285) = ( 0.2261905 -0.1222615 -0.0337436), wk = 0.0028090 k( 286) = ( 0.2380952 -0.1286963 -0.0355196), wk = 0.0028090 k( 287) = ( 0.2500000 -0.1351311 -0.0372955), wk = 0.0028090 k( 288) = ( 0.2619048 -0.1415659 -0.0390715), wk = 0.0028090 k( 289) = ( 0.2738095 -0.1480007 -0.0408475), wk = 0.0028090 k( 290) = ( 0.2857143 -0.1544356 -0.0426235), wk = 0.0028090 k( 291) = ( 0.2976190 -0.1608704 -0.0443995), wk = 0.0028090 k( 292) = ( 0.3095238 -0.1673052 -0.0461754), wk = 0.0028090 k( 293) = ( 0.3214286 -0.1737400 -0.0479514), wk = 0.0028090 k( 294) = ( 0.3333333 -0.1801748 -0.0497274), wk = 0.0028090 k( 295) = ( 0.3452381 -0.1866096 -0.0515034), wk = 0.0028090 k( 296) = ( 0.3571429 -0.1930444 -0.0532793), wk = 0.0028090 k( 297) = ( 0.3690476 -0.1994793 -0.0550553), wk = 0.0028090 k( 298) = ( 0.3809524 -0.2059141 -0.0568313), wk = 0.0028090 k( 299) = ( 0.3928571 -0.2123489 -0.0586073), wk = 0.0028090 k( 300) = ( 0.4047619 -0.2187837 -0.0603833), wk = 0.0028090 k( 301) = ( 0.4166667 -0.2252185 -0.0621592), wk = 0.0028090 k( 302) = ( 0.4285714 -0.2316533 -0.0639352), wk = 0.0028090 k( 303) = ( 0.4404762 -0.2380881 -0.0657112), wk = 0.0028090 k( 304) = ( 0.4523810 -0.2445230 -0.0674872), wk = 0.0028090 k( 305) = ( 0.4642857 -0.2509578 -0.0692631), wk = 0.0028090 k( 306) = ( 0.4761905 -0.2573926 -0.0710391), wk = 0.0028090 k( 307) = ( 0.4880952 -0.2638274 -0.0728151), wk = 0.0028090 k( 308) = ( 0.5000000 -0.2702622 -0.0745911), wk = 0.0028090 k( 309) = ( 0.5000000 -0.2702622 0.2751639), wk = 0.0028090 k( 310) = ( 0.4893617 -0.2645119 0.2693094), wk = 0.0028090 k( 311) = ( 0.4787234 -0.2587617 0.2634548), wk = 0.0028090 k( 312) = ( 0.4680851 -0.2530114 0.2576003), wk = 0.0028090 k( 313) = ( 0.4574468 -0.2472612 0.2517457), wk = 0.0028090 k( 314) = ( 0.4468085 -0.2415109 0.2458912), wk = 0.0028090 k( 315) = ( 0.4361702 -0.2357606 0.2400366), wk = 0.0028090 k( 316) = ( 0.4255319 -0.2300104 0.2341821), wk = 0.0028090 k( 317) = ( 0.4148936 -0.2242601 0.2283275), wk = 0.0028090 k( 318) = ( 0.4042553 -0.2185099 0.2224730), wk = 0.0028090 k( 319) = ( 0.3936170 -0.2127596 0.2166184), wk = 0.0028090 k( 320) = ( 0.3829787 -0.2070094 0.2107639), wk = 0.0028090 k( 321) = ( 0.3723404 -0.2012591 0.2049093), wk = 0.0028090 k( 322) = ( 0.3617021 -0.1955088 0.1990548), wk = 0.0028090 k( 323) = ( 0.3510638 -0.1897586 0.1932002), wk = 0.0028090 k( 324) = ( 0.3404255 -0.1840083 0.1873457), wk = 0.0028090 k( 325) = ( 0.3297872 -0.1782581 0.1814911), wk = 0.0028090 k( 326) = ( 0.3191489 -0.1725078 0.1756366), wk = 0.0028090 k( 327) = ( 0.3085106 -0.1667575 0.1697820), wk = 0.0028090 k( 328) = ( 0.2978723 -0.1610073 0.1639275), wk = 0.0028090 k( 329) = ( 0.2872340 -0.1552570 0.1580729), wk = 0.0028090 k( 330) = ( 0.2765957 -0.1495068 0.1522183), wk = 0.0028090 k( 331) = ( 0.2659574 -0.1437565 0.1463638), wk = 0.0028090 k( 332) = ( 0.2553191 -0.1380062 0.1405092), wk = 0.0028090 k( 333) = ( 0.2446809 -0.1322560 0.1346547), wk = 0.0028090 k( 334) = ( 0.2340425 -0.1265057 0.1288001), wk = 0.0028090 k( 335) = ( 0.2234043 -0.1207555 0.1229456), wk = 0.0028090 k( 336) = ( 0.2127660 -0.1150052 0.1170910), wk = 0.0028090 k( 337) = ( 0.2021277 -0.1092549 0.1112365), wk = 0.0028090 k( 338) = ( 0.1914894 -0.1035047 0.1053819), wk = 0.0028090 k( 339) = ( 0.1808511 -0.0977544 0.0995274), wk = 0.0028090 k( 340) = ( 0.1702128 -0.0920042 0.0936728), wk = 0.0028090 k( 341) = ( 0.1595745 -0.0862539 0.0878183), wk = 0.0028090 k( 342) = ( 0.1489362 -0.0805036 0.0819637), wk = 0.0028090 k( 343) = ( 0.1382979 -0.0747534 0.0761092), wk = 0.0028090 k( 344) = ( 0.1276596 -0.0690031 0.0702546), wk = 0.0028090 k( 345) = ( 0.1170213 -0.0632529 0.0644001), wk = 0.0028090 k( 346) = ( 0.1063830 -0.0575026 0.0585455), wk = 0.0028090 k( 347) = ( 0.0957447 -0.0517523 0.0526910), wk = 0.0028090 k( 348) = ( 0.0851064 -0.0460021 0.0468364), wk = 0.0028090 k( 349) = ( 0.0744681 -0.0402518 0.0409819), wk = 0.0028090 k( 350) = ( 0.0638298 -0.0345016 0.0351273), wk = 0.0028090 k( 351) = ( 0.0531915 -0.0287513 0.0292728), wk = 0.0028090 k( 352) = ( 0.0425532 -0.0230010 0.0234182), wk = 0.0028090 k( 353) = ( 0.0319149 -0.0172508 0.0175637), wk = 0.0028090 k( 354) = ( 0.0212766 -0.0115005 0.0117091), wk = 0.0028090 k( 355) = ( 0.0106383 -0.0057503 0.0058546), wk = 0.0028090 k( 356) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0113636 0.0113636 0.0000000), wk = 0.0028090 k( 3) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0028090 k( 4) = ( 0.0340909 0.0340909 0.0000000), wk = 0.0028090 k( 5) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0028090 k( 6) = ( 0.0568182 0.0568182 0.0000000), wk = 0.0028090 k( 7) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0028090 k( 8) = ( 0.0795455 0.0795455 0.0000000), wk = 0.0028090 k( 9) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0028090 k( 10) = ( 0.1022727 0.1022727 0.0000000), wk = 0.0028090 k( 11) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0028090 k( 12) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028090 k( 13) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0028090 k( 14) = ( 0.1477273 0.1477273 0.0000000), wk = 0.0028090 k( 15) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0028090 k( 16) = ( 0.1704546 0.1704546 0.0000000), wk = 0.0028090 k( 17) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0028090 k( 18) = ( 0.1931818 0.1931818 0.0000000), wk = 0.0028090 k( 19) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0028090 k( 20) = ( 0.2159091 0.2159091 -0.0000000), wk = 0.0028090 k( 21) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0028090 k( 22) = ( 0.2386364 0.2386364 0.0000000), wk = 0.0028090 k( 23) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028090 k( 24) = ( 0.2613636 0.2613636 -0.0000000), wk = 0.0028090 k( 25) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0028090 k( 26) = ( 0.2840909 0.2840909 0.0000000), wk = 0.0028090 k( 27) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0028090 k( 28) = ( 0.3068182 0.3068182 0.0000000), wk = 0.0028090 k( 29) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0028090 k( 30) = ( 0.3295455 0.3295455 0.0000000), wk = 0.0028090 k( 31) = ( 0.3409091 0.3409091 0.0000000), wk = 0.0028090 k( 32) = ( 0.3522727 0.3522727 0.0000000), wk = 0.0028090 k( 33) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0028090 k( 34) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0028090 k( 35) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0028090 k( 36) = ( 0.3977273 0.3977273 0.0000000), wk = 0.0028090 k( 37) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0028090 k( 38) = ( 0.4204545 0.4204545 0.0000000), wk = 0.0028090 k( 39) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0028090 k( 40) = ( 0.4431818 0.4431818 -0.0000000), wk = 0.0028090 k( 41) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0028090 k( 42) = ( 0.4659091 0.4659091 0.0000000), wk = 0.0028090 k( 43) = ( 0.4772727 0.4772727 0.0000000), wk = 0.0028090 k( 44) = ( 0.4886364 0.4886364 -0.0000000), wk = 0.0028090 k( 45) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 46) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 47) = ( 0.5027594 0.5027594 0.0190978), wk = 0.0028090 k( 48) = ( 0.5055187 0.5055187 0.0381956), wk = 0.0028090 k( 49) = ( 0.5082781 0.5082781 0.0572934), wk = 0.0028090 k( 50) = ( 0.5110375 0.5110375 0.0763912), wk = 0.0028090 k( 51) = ( 0.5137968 0.5137969 0.0954890), wk = 0.0028090 k( 52) = ( 0.5165562 0.5165562 0.1145868), wk = 0.0028090 k( 53) = ( 0.5193156 0.5193156 0.1336846), wk = 0.0028090 k( 54) = ( 0.5220750 0.5220750 0.1527824), wk = 0.0028090 k( 55) = ( 0.5248343 0.5248343 0.1718802), wk = 0.0028090 k( 56) = ( 0.5275937 0.5275937 0.1909780), wk = 0.0028090 k( 57) = ( 0.5303531 0.5303531 0.2100758), wk = 0.0028090 k( 58) = ( 0.5331124 0.5331124 0.2291736), wk = 0.0028090 k( 59) = ( 0.5358718 0.5358718 0.2482714), wk = 0.0028090 k( 60) = ( 0.5386312 0.5386312 0.2673692), wk = 0.0028090 k( 61) = ( 0.5413906 0.5413906 0.2864670), wk = 0.0028090 k( 62) = ( 0.5441499 0.5441499 0.3055648), wk = 0.0028090 k( 63) = ( 0.5441499 0.5441499 0.3055648), wk = 0.0028090 k( 64) = ( 0.5404708 0.5404708 0.3217677), wk = 0.0028090 k( 65) = ( 0.5367916 0.5367916 0.3379707), wk = 0.0028090 k( 66) = ( 0.5331124 0.5331124 0.3541736), wk = 0.0028090 k( 67) = ( 0.5294333 0.5294333 0.3703765), wk = 0.0028090 k( 68) = ( 0.5257541 0.5257541 0.3865795), wk = 0.0028090 k( 69) = ( 0.5220750 0.5220750 0.4027824), wk = 0.0028090 k( 70) = ( 0.5183958 0.5183958 0.4189853), wk = 0.0028090 k( 71) = ( 0.5147166 0.5147166 0.4351883), wk = 0.0028090 k( 72) = ( 0.5110375 0.5110375 0.4513912), wk = 0.0028090 k( 73) = ( 0.5073583 0.5073583 0.4675941), wk = 0.0028090 k( 74) = ( 0.5036792 0.5036792 0.4837971), wk = 0.0028090 k( 75) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 77) = ( 0.5067653 0.4932347 0.5000000), wk = 0.0028090 k( 78) = ( 0.5135306 0.4864694 0.5000000), wk = 0.0028090 k( 79) = ( 0.5202959 0.4797041 0.5000000), wk = 0.0028090 k( 80) = ( 0.5270613 0.4729388 0.5000000), wk = 0.0028090 k( 81) = ( 0.5338266 0.4661734 0.5000000), wk = 0.0028090 k( 82) = ( 0.5405919 0.4594081 0.5000000), wk = 0.0028090 k( 83) = ( 0.5473572 0.4526428 0.5000000), wk = 0.0028090 k( 84) = ( 0.5541225 0.4458775 0.5000000), wk = 0.0028090 k( 85) = ( 0.5608878 0.4391122 0.5000000), wk = 0.0028090 k( 86) = ( 0.5676531 0.4323469 0.5000000), wk = 0.0028090 k( 87) = ( 0.5744184 0.4255816 0.5000000), wk = 0.0028090 k( 88) = ( 0.5811838 0.4188162 0.5000000), wk = 0.0028090 k( 89) = ( 0.5879491 0.4120509 0.5000000), wk = 0.0028090 k( 90) = ( 0.5947144 0.4052856 0.5000000), wk = 0.0028090 k( 91) = ( 0.6014797 0.3985203 0.5000000), wk = 0.0028090 k( 92) = ( 0.6082450 0.3917550 0.5000000), wk = 0.0028090 k( 93) = ( 0.6150103 0.3849897 0.5000000), wk = 0.0028090 k( 94) = ( 0.6217756 0.3782244 0.5000000), wk = 0.0028090 k( 95) = ( 0.6285409 0.3714591 0.5000000), wk = 0.0028090 k( 96) = ( 0.6353063 0.3646937 0.5000000), wk = 0.0028090 k( 97) = ( 0.6420716 0.3579284 0.5000000), wk = 0.0028090 k( 98) = ( 0.6488369 0.3511631 0.5000000), wk = 0.0028090 k( 99) = ( 0.6556022 0.3443978 0.5000000), wk = 0.0028090 k( 100) = ( 0.6623675 0.3376325 0.5000000), wk = 0.0028090 k( 101) = ( 0.6691328 0.3308672 0.5000000), wk = 0.0028090 k( 102) = ( 0.6758981 0.3241019 0.5000000), wk = 0.0028090 k( 103) = ( 0.6826634 0.3173365 0.5000000), wk = 0.0028090 k( 104) = ( 0.3173365 -0.3173365 0.5000000), wk = 0.0028090 k( 105) = ( 0.3104379 -0.3104379 0.5000000), wk = 0.0028090 k( 106) = ( 0.3035393 -0.3035393 0.5000000), wk = 0.0028090 k( 107) = ( 0.2966407 -0.2966407 0.5000000), wk = 0.0028090 k( 108) = ( 0.2897421 -0.2897421 0.5000000), wk = 0.0028090 k( 109) = ( 0.2828434 -0.2828434 0.5000000), wk = 0.0028090 k( 110) = ( 0.2759448 -0.2759448 0.5000000), wk = 0.0028090 k( 111) = ( 0.2690462 -0.2690462 0.5000000), wk = 0.0028090 k( 112) = ( 0.2621476 -0.2621476 0.5000000), wk = 0.0028090 k( 113) = ( 0.2552490 -0.2552490 0.5000000), wk = 0.0028090 k( 114) = ( 0.2483503 -0.2483503 0.5000000), wk = 0.0028090 k( 115) = ( 0.2414517 -0.2414517 0.5000000), wk = 0.0028090 k( 116) = ( 0.2345531 -0.2345531 0.5000000), wk = 0.0028090 k( 117) = ( 0.2276545 -0.2276545 0.5000000), wk = 0.0028090 k( 118) = ( 0.2207559 -0.2207559 0.5000000), wk = 0.0028090 k( 119) = ( 0.2138572 -0.2138572 0.5000000), wk = 0.0028090 k( 120) = ( 0.2069586 -0.2069586 0.5000000), wk = 0.0028090 k( 121) = ( 0.2000600 -0.2000600 0.5000000), wk = 0.0028090 k( 122) = ( 0.1931614 -0.1931614 0.5000000), wk = 0.0028090 k( 123) = ( 0.1862628 -0.1862628 0.5000000), wk = 0.0028090 k( 124) = ( 0.1793641 -0.1793641 0.5000000), wk = 0.0028090 k( 125) = ( 0.1724655 -0.1724655 0.5000000), wk = 0.0028090 k( 126) = ( 0.1655669 -0.1655669 0.5000000), wk = 0.0028090 k( 127) = ( 0.1586683 -0.1586683 0.5000000), wk = 0.0028090 k( 128) = ( 0.1517697 -0.1517697 0.5000000), wk = 0.0028090 k( 129) = ( 0.1448710 -0.1448710 0.5000000), wk = 0.0028090 k( 130) = ( 0.1379724 -0.1379724 0.5000000), wk = 0.0028090 k( 131) = ( 0.1310738 -0.1310738 0.5000000), wk = 0.0028090 k( 132) = ( 0.1241752 -0.1241752 0.5000000), wk = 0.0028090 k( 133) = ( 0.1172765 -0.1172766 0.5000000), wk = 0.0028090 k( 134) = ( 0.1103779 -0.1103779 0.5000000), wk = 0.0028090 k( 135) = ( 0.1034793 -0.1034793 0.5000000), wk = 0.0028090 k( 136) = ( 0.0965807 -0.0965807 0.5000000), wk = 0.0028090 k( 137) = ( 0.0896821 -0.0896821 0.5000000), wk = 0.0028090 k( 138) = ( 0.0827834 -0.0827835 0.5000000), wk = 0.0028090 k( 139) = ( 0.0758848 -0.0758848 0.5000000), wk = 0.0028090 k( 140) = ( 0.0689862 -0.0689862 0.5000000), wk = 0.0028090 k( 141) = ( 0.0620876 -0.0620876 0.5000000), wk = 0.0028090 k( 142) = ( 0.0551890 -0.0551890 0.5000000), wk = 0.0028090 k( 143) = ( 0.0482903 -0.0482903 0.5000000), wk = 0.0028090 k( 144) = ( 0.0413917 -0.0413917 0.5000000), wk = 0.0028090 k( 145) = ( 0.0344931 -0.0344931 0.5000000), wk = 0.0028090 k( 146) = ( 0.0275945 -0.0275945 0.5000000), wk = 0.0028090 k( 147) = ( 0.0206959 -0.0206959 0.5000000), wk = 0.0028090 k( 148) = ( 0.0137972 -0.0137972 0.5000000), wk = 0.0028090 k( 149) = ( 0.0068986 -0.0068986 0.5000000), wk = 0.0028090 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 152) = ( 0.0116885 0.0116885 0.5049855), wk = 0.0028090 k( 153) = ( 0.0233769 0.0233769 0.5099710), wk = 0.0028090 k( 154) = ( 0.0350654 0.0350654 0.5149566), wk = 0.0028090 k( 155) = ( 0.0467538 0.0467538 0.5199421), wk = 0.0028090 k( 156) = ( 0.0584423 0.0584423 0.5249276), wk = 0.0028090 k( 157) = ( 0.0701308 0.0701308 0.5299131), wk = 0.0028090 k( 158) = ( 0.0818192 0.0818192 0.5348986), wk = 0.0028090 k( 159) = ( 0.0935077 0.0935077 0.5398842), wk = 0.0028090 k( 160) = ( 0.1051962 0.1051962 0.5448697), wk = 0.0028090 k( 161) = ( 0.1168846 0.1168846 0.5498552), wk = 0.0028090 k( 162) = ( 0.1285731 0.1285731 0.5548407), wk = 0.0028090 k( 163) = ( 0.1402616 0.1402616 0.5598262), wk = 0.0028090 k( 164) = ( 0.1519500 0.1519500 0.5648117), wk = 0.0028090 k( 165) = ( 0.1636385 0.1636385 0.5697973), wk = 0.0028090 k( 166) = ( 0.1753270 0.1753270 0.5747828), wk = 0.0028090 k( 167) = ( 0.1870154 0.1870154 0.5797683), wk = 0.0028090 k( 168) = ( 0.1987039 0.1987039 0.5847538), wk = 0.0028090 k( 169) = ( 0.2103923 0.2103923 0.5897393), wk = 0.0028090 k( 170) = ( 0.2220808 0.2220808 0.5947248), wk = 0.0028090 k( 171) = ( 0.2337693 0.2337693 0.5997104), wk = 0.0028090 k( 172) = ( 0.2454577 0.2454577 0.6046959), wk = 0.0028090 k( 173) = ( 0.2571462 0.2571462 0.6096814), wk = 0.0028090 k( 174) = ( 0.2688347 0.2688347 0.6146669), wk = 0.0028090 k( 175) = ( 0.2805231 0.2805231 0.6196524), wk = 0.0028090 k( 176) = ( 0.2922116 0.2922116 0.6246380), wk = 0.0028090 k( 177) = ( 0.3039000 0.3039000 0.6296235), wk = 0.0028090 k( 178) = ( 0.3155885 0.3155885 0.6346090), wk = 0.0028090 k( 179) = ( 0.3272770 0.3272770 0.6395945), wk = 0.0028090 k( 180) = ( 0.3389654 0.3389654 0.6445800), wk = 0.0028090 k( 181) = ( 0.3506539 0.3506539 0.6495656), wk = 0.0028090 k( 182) = ( 0.3623424 0.3623424 0.6545511), wk = 0.0028090 k( 183) = ( 0.3740308 0.3740308 0.6595366), wk = 0.0028090 k( 184) = ( 0.3857193 0.3857193 0.6645221), wk = 0.0028090 k( 185) = ( 0.3974078 0.3974078 0.6695076), wk = 0.0028090 k( 186) = ( 0.4090962 0.4090962 0.6744931), wk = 0.0028090 k( 187) = ( 0.4207847 0.4207847 0.6794787), wk = 0.0028090 k( 188) = ( 0.4324731 0.4324731 0.6844642), wk = 0.0028090 k( 189) = ( 0.4441616 0.4441616 0.6894497), wk = 0.0028090 k( 190) = ( 0.4558501 0.4558501 0.6944352), wk = 0.0028090 k( 191) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 192) = ( 0.5067520 0.4932480 -0.0000000), wk = 0.0028090 k( 193) = ( 0.5135041 0.4864959 0.0000000), wk = 0.0028090 k( 194) = ( 0.5202561 0.4797439 0.0000000), wk = 0.0028090 k( 195) = ( 0.5270081 0.4729919 0.0000000), wk = 0.0028090 k( 196) = ( 0.5337602 0.4662398 0.0000000), wk = 0.0028090 k( 197) = ( 0.5405122 0.4594878 0.0000000), wk = 0.0028090 k( 198) = ( 0.5472643 0.4527357 0.0000000), wk = 0.0028090 k( 199) = ( 0.5540163 0.4459837 -0.0000000), wk = 0.0028090 k( 200) = ( 0.5607683 0.4392317 0.0000000), wk = 0.0028090 k( 201) = ( 0.5675204 0.4324796 0.0000000), wk = 0.0028090 k( 202) = ( 0.5742724 0.4257276 -0.0000000), wk = 0.0028090 k( 203) = ( 0.5810244 0.4189756 0.0000000), wk = 0.0028090 k( 204) = ( 0.5877765 0.4122235 0.0000000), wk = 0.0028090 k( 205) = ( 0.5945285 0.4054715 0.0000000), wk = 0.0028090 k( 206) = ( 0.6012805 0.3987195 0.0000000), wk = 0.0028090 k( 207) = ( 0.6080326 0.3919674 0.0000000), wk = 0.0028090 k( 208) = ( 0.6147846 0.3852154 0.0000000), wk = 0.0028090 k( 209) = ( 0.6215366 0.3784634 0.0000000), wk = 0.0028090 k( 210) = ( 0.6282887 0.3717113 0.0000000), wk = 0.0028090 k( 211) = ( 0.6350407 0.3649593 -0.0000000), wk = 0.0028090 k( 212) = ( 0.6417928 0.3582073 -0.0000000), wk = 0.0028090 k( 213) = ( 0.6485448 0.3514552 0.0000000), wk = 0.0028090 k( 214) = ( 0.6552968 0.3447032 0.0000000), wk = 0.0028090 k( 215) = ( 0.3447032 -0.3447032 -0.0000000), wk = 0.0028090 k( 216) = ( 0.3378091 -0.3378091 0.0000000), wk = 0.0028090 k( 217) = ( 0.3309150 -0.3309151 -0.0000000), wk = 0.0028090 k( 218) = ( 0.3240210 -0.3240210 -0.0000000), wk = 0.0028090 k( 219) = ( 0.3171269 -0.3171269 -0.0000000), wk = 0.0028090 k( 220) = ( 0.3102329 -0.3102329 0.0000000), wk = 0.0028090 k( 221) = ( 0.3033388 -0.3033388 -0.0000000), wk = 0.0028090 k( 222) = ( 0.2964447 -0.2964447 -0.0000000), wk = 0.0028090 k( 223) = ( 0.2895507 -0.2895507 -0.0000000), wk = 0.0028090 k( 224) = ( 0.2826566 -0.2826566 -0.0000000), wk = 0.0028090 k( 225) = ( 0.2757625 -0.2757625 -0.0000000), wk = 0.0028090 k( 226) = ( 0.2688685 -0.2688685 -0.0000000), wk = 0.0028090 k( 227) = ( 0.2619744 -0.2619744 -0.0000000), wk = 0.0028090 k( 228) = ( 0.2550804 -0.2550804 -0.0000000), wk = 0.0028090 k( 229) = ( 0.2481863 -0.2481863 -0.0000000), wk = 0.0028090 k( 230) = ( 0.2412922 -0.2412922 -0.0000000), wk = 0.0028090 k( 231) = ( 0.2343982 -0.2343982 -0.0000000), wk = 0.0028090 k( 232) = ( 0.2275041 -0.2275041 -0.0000000), wk = 0.0028090 k( 233) = ( 0.2206100 -0.2206100 -0.0000000), wk = 0.0028090 k( 234) = ( 0.2137160 -0.2137160 -0.0000000), wk = 0.0028090 k( 235) = ( 0.2068219 -0.2068219 -0.0000000), wk = 0.0028090 k( 236) = ( 0.1999278 -0.1999278 -0.0000000), wk = 0.0028090 k( 237) = ( 0.1930338 -0.1930338 -0.0000000), wk = 0.0028090 k( 238) = ( 0.1861397 -0.1861397 -0.0000000), wk = 0.0028090 k( 239) = ( 0.1792457 -0.1792457 -0.0000000), wk = 0.0028090 k( 240) = ( 0.1723516 -0.1723516 -0.0000000), wk = 0.0028090 k( 241) = ( 0.1654575 -0.1654575 -0.0000000), wk = 0.0028090 k( 242) = ( 0.1585635 -0.1585635 -0.0000000), wk = 0.0028090 k( 243) = ( 0.1516694 -0.1516694 -0.0000000), wk = 0.0028090 k( 244) = ( 0.1447753 -0.1447753 -0.0000000), wk = 0.0028090 k( 245) = ( 0.1378813 -0.1378813 -0.0000000), wk = 0.0028090 k( 246) = ( 0.1309872 -0.1309872 -0.0000000), wk = 0.0028090 k( 247) = ( 0.1240931 -0.1240931 -0.0000000), wk = 0.0028090 k( 248) = ( 0.1171991 -0.1171991 -0.0000000), wk = 0.0028090 k( 249) = ( 0.1103050 -0.1103050 -0.0000000), wk = 0.0028090 k( 250) = ( 0.1034110 -0.1034110 -0.0000000), wk = 0.0028090 k( 251) = ( 0.0965169 -0.0965169 -0.0000000), wk = 0.0028090 k( 252) = ( 0.0896228 -0.0896228 -0.0000000), wk = 0.0028090 k( 253) = ( 0.0827288 -0.0827288 -0.0000000), wk = 0.0028090 k( 254) = ( 0.0758347 -0.0758347 -0.0000000), wk = 0.0028090 k( 255) = ( 0.0689406 -0.0689406 -0.0000000), wk = 0.0028090 k( 256) = ( 0.0620466 -0.0620466 -0.0000000), wk = 0.0028090 k( 257) = ( 0.0551525 -0.0551525 -0.0000000), wk = 0.0028090 k( 258) = ( 0.0482584 -0.0482584 -0.0000000), wk = 0.0028090 k( 259) = ( 0.0413644 -0.0413644 -0.0000000), wk = 0.0028090 k( 260) = ( 0.0344703 -0.0344703 -0.0000000), wk = 0.0028090 k( 261) = ( 0.0275763 -0.0275763 -0.0000000), wk = 0.0028090 k( 262) = ( 0.0206822 -0.0206822 -0.0000000), wk = 0.0028090 k( 263) = ( 0.0137881 -0.0137881 -0.0000000), wk = 0.0028090 k( 264) = ( 0.0068941 -0.0068941 0.0000000), wk = 0.0028090 k( 265) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 266) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 267) = ( 0.0119048 -0.0000000 -0.0000000), wk = 0.0028090 k( 268) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0028090 k( 269) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0028090 k( 270) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0028090 k( 271) = ( 0.0595238 -0.0000000 -0.0000000), wk = 0.0028090 k( 272) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0028090 k( 273) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0028090 k( 274) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0028090 k( 275) = ( 0.1071429 0.0000000 -0.0000000), wk = 0.0028090 k( 276) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0028090 k( 277) = ( 0.1309524 -0.0000000 -0.0000000), wk = 0.0028090 k( 278) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0028090 k( 279) = ( 0.1547619 -0.0000000 0.0000000), wk = 0.0028090 k( 280) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0028090 k( 281) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0028090 k( 282) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0028090 k( 283) = ( 0.2023810 -0.0000000 -0.0000000), wk = 0.0028090 k( 284) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0028090 k( 285) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0028090 k( 286) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0028090 k( 287) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0028090 k( 288) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0028090 k( 289) = ( 0.2738095 0.0000000 -0.0000000), wk = 0.0028090 k( 290) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0028090 k( 291) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0028090 k( 292) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0028090 k( 293) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0028090 k( 294) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0028090 k( 295) = ( 0.3452381 -0.0000000 0.0000000), wk = 0.0028090 k( 296) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0028090 k( 297) = ( 0.3690476 -0.0000000 0.0000000), wk = 0.0028090 k( 298) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0028090 k( 299) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0028090 k( 300) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0028090 k( 301) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0028090 k( 302) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0028090 k( 303) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0028090 k( 304) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0028090 k( 305) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0028090 k( 306) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0028090 k( 307) = ( 0.4880952 -0.0000000 -0.0000000), wk = 0.0028090 k( 308) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0028090 k( 309) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028090 k( 310) = ( 0.4893617 -0.0000000 0.4893617), wk = 0.0028090 k( 311) = ( 0.4787234 -0.0000000 0.4787234), wk = 0.0028090 k( 312) = ( 0.4680851 -0.0000000 0.4680851), wk = 0.0028090 k( 313) = ( 0.4574468 -0.0000000 0.4574468), wk = 0.0028090 k( 314) = ( 0.4468085 0.0000000 0.4468085), wk = 0.0028090 k( 315) = ( 0.4361702 0.0000000 0.4361702), wk = 0.0028090 k( 316) = ( 0.4255319 -0.0000000 0.4255319), wk = 0.0028090 k( 317) = ( 0.4148936 0.0000000 0.4148936), wk = 0.0028090 k( 318) = ( 0.4042553 -0.0000000 0.4042553), wk = 0.0028090 k( 319) = ( 0.3936170 -0.0000000 0.3936170), wk = 0.0028090 k( 320) = ( 0.3829787 -0.0000000 0.3829787), wk = 0.0028090 k( 321) = ( 0.3723404 -0.0000000 0.3723404), wk = 0.0028090 k( 322) = ( 0.3617021 -0.0000000 0.3617021), wk = 0.0028090 k( 323) = ( 0.3510638 0.0000000 0.3510638), wk = 0.0028090 k( 324) = ( 0.3404255 -0.0000000 0.3404255), wk = 0.0028090 k( 325) = ( 0.3297872 0.0000000 0.3297872), wk = 0.0028090 k( 326) = ( 0.3191489 -0.0000000 0.3191489), wk = 0.0028090 k( 327) = ( 0.3085106 0.0000000 0.3085106), wk = 0.0028090 k( 328) = ( 0.2978723 0.0000000 0.2978723), wk = 0.0028090 k( 329) = ( 0.2872340 0.0000000 0.2872340), wk = 0.0028090 k( 330) = ( 0.2765957 0.0000000 0.2765957), wk = 0.0028090 k( 331) = ( 0.2659574 -0.0000000 0.2659575), wk = 0.0028090 k( 332) = ( 0.2553191 0.0000000 0.2553192), wk = 0.0028090 k( 333) = ( 0.2446809 -0.0000000 0.2446809), wk = 0.0028090 k( 334) = ( 0.2340425 0.0000000 0.2340425), wk = 0.0028090 k( 335) = ( 0.2234043 0.0000000 0.2234043), wk = 0.0028090 k( 336) = ( 0.2127660 0.0000000 0.2127660), wk = 0.0028090 k( 337) = ( 0.2021277 -0.0000000 0.2021277), wk = 0.0028090 k( 338) = ( 0.1914894 -0.0000000 0.1914894), wk = 0.0028090 k( 339) = ( 0.1808511 -0.0000000 0.1808511), wk = 0.0028090 k( 340) = ( 0.1702128 -0.0000000 0.1702128), wk = 0.0028090 k( 341) = ( 0.1595745 -0.0000000 0.1595745), wk = 0.0028090 k( 342) = ( 0.1489362 0.0000000 0.1489362), wk = 0.0028090 k( 343) = ( 0.1382979 0.0000000 0.1382979), wk = 0.0028090 k( 344) = ( 0.1276596 -0.0000000 0.1276596), wk = 0.0028090 k( 345) = ( 0.1170213 0.0000000 0.1170213), wk = 0.0028090 k( 346) = ( 0.1063830 0.0000000 0.1063830), wk = 0.0028090 k( 347) = ( 0.0957447 -0.0000000 0.0957447), wk = 0.0028090 k( 348) = ( 0.0851064 0.0000000 0.0851064), wk = 0.0028090 k( 349) = ( 0.0744681 -0.0000000 0.0744681), wk = 0.0028090 k( 350) = ( 0.0638298 0.0000000 0.0638298), wk = 0.0028090 k( 351) = ( 0.0531915 0.0000000 0.0531915), wk = 0.0028090 k( 352) = ( 0.0425532 0.0000000 0.0425532), wk = 0.0028090 k( 353) = ( 0.0319149 0.0000000 0.0319149), wk = 0.0028090 k( 354) = ( 0.0212766 -0.0000000 0.0212766), wk = 0.0028090 k( 355) = ( 0.0106383 -0.0000000 0.0106383), wk = 0.0028090 k( 356) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 Dense grid: 66517 G-vectors FFT dimensions: ( 48, 48, 72) Smooth grid: 29307 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 176, 60) NL pseudopotentials 0.19 Mb ( 88, 142) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1385) G-vector shells 0.01 Mb ( 1332) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 176, 240) Each subspace H/S matrix 0.88 Mb ( 240, 240) Each matrix 0.26 Mb ( 142, 2, 60) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./BixBO2x3.save/charge-density.dat negative rho (up, down): 7.063E-05 0.000E+00 Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.5 secs Computing kpt #: 2 total cpu time spent up to now is 43.1 secs Computing kpt #: 3 total cpu time spent up to now is 45.8 secs Computing kpt #: 4 total cpu time spent up to now is 48.4 secs Computing kpt #: 5 total cpu time spent up to now is 51.1 secs Computing kpt #: 6 total cpu time spent up to now is 54.0 secs Computing kpt #: 7 total cpu time spent up to now is 56.7 secs Computing kpt #: 8 total cpu time spent up to now is 59.5 secs Computing kpt #: 9 total cpu time spent up to now is 62.1 secs Computing kpt #: 10 total cpu time spent up to now is 65.0 secs Computing kpt #: 11 total cpu time spent up to now is 67.7 secs Computing kpt #: 12 total cpu time spent up to now is 70.5 secs Computing kpt #: 13 total cpu time spent up to now is 73.3 secs Computing kpt #: 14 total cpu time spent up to now is 76.1 secs Computing kpt #: 15 total cpu time spent up to now is 78.9 secs Computing kpt #: 16 total cpu time spent up to now is 81.5 secs Computing kpt #: 17 total cpu time spent up to now is 84.2 secs Computing kpt #: 18 total cpu time spent up to now is 86.8 secs Computing kpt #: 19 total cpu time spent up to now is 89.5 secs Computing kpt #: 20 total cpu time spent up to now is 92.1 secs Computing kpt #: 21 total cpu time spent up to now is 94.6 secs Computing kpt #: 22 total cpu time spent up to now is 97.2 secs Computing kpt #: 23 total cpu time spent up to now is 99.8 secs Computing kpt #: 24 total cpu time spent up to now is 102.4 secs Computing kpt #: 25 total cpu time spent up to now is 104.9 secs Computing kpt #: 26 total cpu time spent up to now is 107.6 secs Computing kpt #: 27 total cpu time spent up to now is 110.3 secs Computing kpt #: 28 total cpu time spent up to now is 112.8 secs Computing kpt #: 29 total cpu time spent up to now is 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total cpu time spent up to now is 268.9 secs Computing kpt #: 92 total cpu time spent up to now is 271.1 secs Computing kpt #: 93 total cpu time spent up to now is 273.4 secs Computing kpt #: 94 total cpu time spent up to now is 275.6 secs Computing kpt #: 95 total cpu time spent up to now is 277.8 secs Computing kpt #: 96 total cpu time spent up to now is 280.4 secs Computing kpt #: 97 total cpu time spent up to now is 283.8 secs Computing kpt #: 98 total cpu time spent up to now is 286.6 secs Computing kpt #: 99 total cpu time spent up to now is 289.0 secs Computing kpt #: 100 total cpu time spent up to now is 291.2 secs Computing kpt #: 101 total cpu time spent up to now is 293.4 secs Computing kpt #: 102 total cpu time spent up to now is 295.6 secs Computing kpt #: 103 total cpu time spent up to now is 297.9 secs Computing kpt #: 104 total cpu time spent up to now is 300.1 secs Computing kpt #: 105 total cpu time spent up to now is 302.3 secs Computing kpt #: 106 total cpu time 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Computing kpt #: 152 total cpu time spent up to now is 413.6 secs Computing kpt #: 153 total cpu time spent up to now is 415.9 secs Computing kpt #: 154 total cpu time spent up to now is 418.3 secs Computing kpt #: 155 total cpu time spent up to now is 420.7 secs Computing kpt #: 156 total cpu time spent up to now is 423.1 secs Computing kpt #: 157 total cpu time spent up to now is 425.6 secs Computing kpt #: 158 total cpu time spent up to now is 428.2 secs Computing kpt #: 159 total cpu time spent up to now is 430.6 secs Computing kpt #: 160 total cpu time spent up to now is 433.0 secs Computing kpt #: 161 total cpu time spent up to now is 435.5 secs Computing kpt #: 162 total cpu time spent up to now is 438.1 secs Computing kpt #: 163 total cpu time spent up to now is 440.6 secs Computing kpt #: 164 total cpu time spent up to now is 443.3 secs Computing kpt #: 165 total cpu time spent up to now is 445.7 secs Computing kpt #: 166 total cpu time spent up to now is 448.2 secs Computing kpt #: 167 total cpu time spent up to now is 450.7 secs Computing kpt #: 168 total cpu time spent up to now is 453.2 secs Computing kpt #: 169 total cpu time spent up to now is 455.7 secs Computing kpt #: 170 total cpu time spent up to now is 458.1 secs Computing kpt #: 171 total cpu time spent up to now is 460.5 secs Computing kpt #: 172 total cpu time spent up to now is 463.0 secs Computing kpt #: 173 total cpu time spent up to now is 465.4 secs Computing kpt #: 174 total cpu time spent up to now is 467.9 secs Computing kpt #: 175 total cpu time spent up to now is 470.5 secs Computing kpt #: 176 total cpu time spent up to now is 473.0 secs Computing kpt #: 177 total cpu time spent up to now is 475.4 secs Computing kpt #: 178 total cpu time spent up to now is 477.8 secs Computing kpt #: 179 total cpu time spent up to now is 480.2 secs Computing kpt #: 180 total cpu time spent up to now is 482.8 secs Computing kpt #: 181 total cpu time spent up to now is 485.3 secs Computing kpt #: 182 total cpu time spent up to now is 487.6 secs Computing kpt #: 183 total cpu time spent up to now is 490.1 secs Computing kpt #: 184 total cpu time spent up to now is 492.4 secs Computing kpt #: 185 total cpu time spent up to now is 495.0 secs Computing kpt #: 186 total cpu time spent up to now is 497.4 secs Computing kpt #: 187 total cpu time spent up to now is 499.9 secs Computing kpt #: 188 total cpu time spent up to now is 502.3 secs Computing kpt #: 189 total cpu time spent up to now is 504.8 secs Computing kpt #: 190 total cpu time spent up to now is 507.2 secs Computing kpt #: 191 total cpu time spent up to now is 509.8 secs Computing kpt #: 192 total cpu time spent up to now is 512.4 secs Computing kpt #: 193 total cpu time spent up to now is 515.0 secs Computing kpt #: 194 total cpu time spent up to now is 517.6 secs Computing kpt #: 195 total cpu time spent up to now is 520.2 secs Computing kpt #: 196 total cpu time spent up to now is 522.8 secs Computing kpt #: 197 total cpu 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up to now is 562.2 secs Computing kpt #: 213 total cpu time spent up to now is 564.5 secs Computing kpt #: 214 total cpu time spent up to now is 566.9 secs Computing kpt #: 215 total cpu time spent up to now is 569.2 secs Computing kpt #: 216 total cpu time spent up to now is 571.5 secs Computing kpt #: 217 total cpu time spent up to now is 573.7 secs Computing kpt #: 218 total cpu time spent up to now is 576.0 secs Computing kpt #: 219 total cpu time spent up to now is 578.2 secs Computing kpt #: 220 total cpu time spent up to now is 581.1 secs Computing kpt #: 221 total cpu time spent up to now is 583.4 secs Computing kpt #: 222 total cpu time spent up to now is 585.8 secs Computing kpt #: 223 total cpu time spent up to now is 588.2 secs Computing kpt #: 224 total cpu time spent up to now is 590.4 secs Computing kpt #: 225 total cpu time spent up to now is 592.7 secs Computing kpt #: 226 total cpu time spent up to now is 594.9 secs Computing kpt #: 227 total cpu time spent up to now is 597.2 secs Computing kpt #: 228 total cpu time spent up to now is 599.5 secs Computing kpt #: 229 total cpu time spent up to now is 601.7 secs Computing kpt #: 230 total cpu time spent up to now is 604.0 secs Computing kpt #: 231 total cpu time spent up to now is 606.2 secs Computing kpt #: 232 total cpu time spent up to now is 608.5 secs Computing kpt #: 233 total cpu time spent up to now is 610.8 secs Computing kpt #: 234 total cpu time spent up to now is 612.9 secs Computing kpt #: 235 total cpu time spent up to now is 615.2 secs Computing kpt #: 236 total cpu time spent up to now is 617.4 secs Computing kpt #: 237 total cpu time spent up to now is 619.6 secs Computing kpt #: 238 total cpu time spent up to now is 621.8 secs Computing kpt #: 239 total cpu time spent up to now is 624.1 secs Computing kpt #: 240 total cpu time spent up to now is 626.3 secs Computing kpt #: 241 total cpu time spent up to now is 628.5 secs Computing kpt #: 242 total cpu time spent up to now is 630.8 secs Computing kpt #: 243 total cpu time spent up to now is 633.1 secs Computing kpt #: 244 total cpu time spent up to now is 635.5 secs Computing kpt #: 245 total cpu time spent up to now is 637.6 secs Computing kpt #: 246 total cpu time spent up to now is 640.0 secs Computing kpt #: 247 total cpu time spent up to now is 642.3 secs Computing kpt #: 248 total cpu time spent up to now is 644.6 secs Computing kpt #: 249 total cpu time spent up to now is 647.0 secs Computing kpt #: 250 total cpu time spent up to now is 649.4 secs Computing kpt #: 251 total cpu time spent up to now is 651.8 secs Computing kpt #: 252 total cpu time spent up to now is 654.2 secs Computing kpt #: 253 total cpu time spent up to now is 656.7 secs Computing kpt #: 254 total cpu time spent up to now is 659.1 secs Computing kpt #: 255 total cpu time spent up to now is 661.5 secs Computing kpt #: 256 total cpu time spent up to now is 664.0 secs Computing kpt #: 257 total cpu time spent up to now is 666.6 secs Computing kpt #: 258 total cpu time spent up to now is 669.3 secs Computing kpt #: 259 total cpu time spent up to now is 671.9 secs Computing kpt #: 260 total cpu time spent up to now is 674.4 secs Computing kpt #: 261 total cpu time spent up to now is 676.9 secs Computing kpt #: 262 total cpu time spent up to now is 679.5 secs Computing kpt #: 263 total cpu time spent up to now is 682.0 secs Computing kpt #: 264 total cpu time spent up to now is 684.5 secs Computing kpt #: 265 total cpu time spent up to now is 687.0 secs Computing kpt #: 266 total cpu time spent up to now is 689.5 secs Computing kpt #: 267 total cpu time spent up to now is 692.1 secs Computing kpt #: 268 total cpu time spent up to now is 694.7 secs Computing kpt #: 269 total cpu time spent up to now is 697.3 secs Computing kpt #: 270 total cpu time spent up to now is 700.0 secs Computing kpt #: 271 total cpu time spent up to now is 702.5 secs Computing kpt #: 272 total cpu time spent up to now is 705.1 secs Computing kpt #: 273 total cpu time spent up to now is 707.8 secs Computing kpt #: 274 total cpu time spent up to now is 710.4 secs Computing kpt #: 275 total cpu time spent up to now is 713.0 secs Computing kpt #: 276 total cpu time spent up to now is 715.5 secs Computing kpt #: 277 total cpu time spent up to now is 718.1 secs Computing kpt #: 278 total cpu time spent up to now is 720.6 secs Computing kpt #: 279 total cpu time spent up to now is 723.0 secs Computing kpt #: 280 total cpu time spent up to now is 725.5 secs Computing kpt #: 281 total cpu time spent up to now is 728.2 secs Computing kpt #: 282 total cpu time spent up to now is 730.6 secs Computing kpt #: 283 total cpu time spent up to now is 733.1 secs Computing kpt #: 284 total cpu time spent up to now is 735.7 secs Computing kpt #: 285 total cpu time spent up to now is 738.1 secs Computing kpt #: 286 total cpu time spent up to now is 740.5 secs Computing kpt #: 287 total cpu time spent up to now is 742.9 secs Computing kpt #: 288 total cpu time spent up to now is 745.2 secs Computing kpt #: 289 total cpu time spent up to now is 747.6 secs Computing kpt #: 290 total cpu time spent up to now is 749.9 secs Computing kpt #: 291 total cpu time spent up to now is 752.3 secs Computing kpt #: 292 total cpu time spent up to now is 754.7 secs Computing kpt #: 293 total cpu time spent up to now is 757.1 secs Computing kpt #: 294 total cpu time spent up to now is 759.4 secs Computing kpt #: 295 total cpu time spent up to now is 761.7 secs Computing kpt #: 296 total cpu time spent up to now is 764.0 secs Computing kpt #: 297 total cpu time spent up to now is 766.2 secs Computing kpt #: 298 total cpu time spent up to now is 768.9 secs Computing kpt #: 299 total cpu time spent up to now is 771.2 secs Computing kpt #: 300 total cpu time spent up to now is 773.5 secs Computing kpt #: 301 total cpu time spent up to now is 775.7 secs Computing kpt #: 302 total cpu time spent up to now is 778.2 secs Computing kpt #: 303 total cpu time spent up to now is 780.4 secs Computing kpt #: 304 total cpu time spent up to now is 782.8 secs Computing kpt #: 305 total cpu time spent up to now is 785.0 secs Computing kpt #: 306 total cpu time spent up to now is 787.2 secs Computing kpt #: 307 total cpu time spent up to now is 789.5 secs Computing kpt #: 308 total cpu time spent up to now is 791.7 secs Computing kpt #: 309 total cpu time spent up to now is 794.2 secs Computing kpt #: 310 total cpu time spent up to now is 796.7 secs Computing kpt #: 311 total cpu time spent up to now is 799.2 secs Computing kpt #: 312 total cpu time spent up to now is 801.8 secs Computing kpt #: 313 total cpu time spent up to now is 804.3 secs Computing kpt #: 314 total cpu time spent up to now is 806.8 secs Computing kpt #: 315 total cpu time spent up to now is 809.4 secs Computing kpt #: 316 total cpu time spent up to now is 811.8 secs Computing kpt #: 317 total cpu time spent up to now is 814.2 secs Computing kpt #: 318 total cpu time spent up to now is 816.7 secs Computing kpt #: 319 total cpu time spent up to now is 819.2 secs Computing kpt #: 320 total cpu time spent up to now is 821.6 secs Computing kpt #: 321 total cpu time spent up to now is 824.0 secs Computing kpt #: 322 total cpu time spent up to now is 826.5 secs Computing kpt #: 323 total cpu time spent up to now is 828.8 secs Computing kpt #: 324 total cpu time spent up to now is 831.5 secs Computing kpt #: 325 total cpu time spent up to now is 833.9 secs Computing kpt #: 326 total cpu time spent up to now is 836.3 secs Computing kpt #: 327 total cpu time spent up to now is 838.7 secs Computing kpt #: 328 total cpu time spent up to now is 841.1 secs Computing kpt #: 329 total cpu time spent up to now is 843.5 secs Computing kpt #: 330 total cpu time spent up to now is 845.9 secs Computing kpt #: 331 total cpu time spent up to now is 848.2 secs Computing kpt #: 332 total cpu time spent up to now is 850.6 secs Computing kpt #: 333 total cpu time spent up to now is 852.9 secs Computing kpt #: 334 total cpu time spent up to now is 855.2 secs Computing kpt #: 335 total cpu time spent up to now is 857.5 secs Computing kpt #: 336 total cpu time spent up to now is 859.9 secs Computing kpt #: 337 total cpu time spent up to now is 862.3 secs Computing kpt #: 338 total cpu time spent up to now is 864.7 secs Computing kpt #: 339 total cpu time spent up to now is 867.1 secs Computing kpt #: 340 total cpu time spent up to now is 869.4 secs Computing kpt #: 341 total cpu time spent up to now is 871.8 secs Computing kpt #: 342 total cpu time spent up to now is 874.0 secs Computing kpt #: 343 total cpu time spent up to now is 876.5 secs Computing kpt #: 344 total cpu time spent up to now is 878.9 secs Computing kpt #: 345 total cpu time spent up to now is 882.1 secs Computing kpt #: 346 total cpu time spent up to now is 885.7 secs Computing kpt #: 347 total cpu time spent up to now is 888.5 secs Computing kpt #: 348 total cpu time spent up to now is 891.2 secs Computing kpt #: 349 total cpu time spent up to now is 893.8 secs Computing kpt #: 350 total cpu time spent up to now is 896.4 secs Computing kpt #: 351 total cpu time spent up to now is 898.9 secs Computing kpt #: 352 total cpu time spent up to now is 901.5 secs Computing kpt #: 353 total cpu time spent up to now is 904.2 secs Computing kpt #: 354 total cpu time spent up to now is 906.8 secs Computing kpt #: 355 total cpu time spent up to now is 909.5 secs Computing kpt #: 356 total cpu time spent up to now is 912.0 secs ethr = 2.00E-11, avg # of iterations = 34.3 total cpu time spent up to now is 912.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3643 PWs) bands (ev): -14.9903 -14.9903 -13.4899 -13.4899 -13.4594 -13.4594 -12.3338 -12.3338 -11.9615 -11.9615 -11.8661 -11.8661 -3.4652 -3.4652 -2.9996 -2.9996 -1.8199 -1.8199 -1.0905 -1.0905 -0.7734 -0.7734 0.1600 0.1600 1.0915 1.0915 1.2626 1.2626 1.4394 1.4394 2.0146 2.0146 2.3977 2.3977 2.8707 2.8707 3.4031 3.4031 3.5043 3.5043 3.6232 3.6232 4.1981 4.1981 4.2394 4.2394 4.4900 4.4900 4.6861 4.6861 9.5395 9.5395 11.4347 11.4347 11.8047 11.8047 12.3000 12.3000 13.3156 13.3156 k = 0.0114 0.0068-0.0034 ( 3648 PWs) bands (ev): -14.9898 -14.9895 -13.4931 -13.4885 -13.4600 -13.4558 -12.3344 -12.3338 -11.9630 -11.9625 -11.8665 -11.8661 -3.4677 -3.4652 -3.0022 -3.0005 -1.8186 -1.8169 -1.0967 -1.0826 -0.7761 -0.7679 0.1578 0.1618 1.0836 1.0882 1.2648 1.2670 1.4323 1.4427 2.0006 2.0350 2.3773 2.4224 2.8682 2.8698 3.3755 3.4122 3.4969 3.5289 3.6240 3.6263 4.1926 4.2017 4.2343 4.2464 4.4903 4.4910 4.6855 4.6856 9.5278 9.5501 11.4250 11.4439 11.7703 11.8404 12.2653 12.3343 13.3069 13.3239 k = 0.0227 0.0136-0.0068 ( 3643 PWs) bands (ev): -14.9879 -14.9872 -13.4973 -13.4896 -13.4571 -13.4503 -12.3356 -12.3344 -11.9673 -11.9662 -11.8672 -11.8663 -3.4730 -3.4680 -3.0078 -3.0044 -1.8131 -1.8099 -1.1011 -1.0732 -0.7758 -0.7599 0.1554 0.1635 1.0659 1.0751 1.2723 1.2767 1.4218 1.4425 1.9927 2.0613 2.3615 2.4510 2.8624 2.8655 3.3422 3.3952 3.5147 3.5571 3.6285 3.6337 4.1862 4.2020 4.2326 4.2545 4.4917 4.4932 4.6837 4.6839 9.5149 9.5594 11.4147 11.4525 11.7383 11.8767 12.2306 12.3683 13.2981 13.3320 k = 0.0341 0.0203-0.0102 ( 3639 PWs) bands (ev): -14.9846 -14.9835 -13.5015 -13.4921 -13.4516 -13.4435 -12.3375 -12.3357 -11.9740 -11.9725 -11.8683 -11.8670 -3.4815 -3.4739 -3.0158 -3.0107 -1.8036 -1.7990 -1.1035 -1.0624 -0.7724 -0.7494 0.1528 0.1648 1.0405 1.0547 1.2823 1.2894 1.4086 1.4393 1.9908 2.0930 2.3504 2.4830 2.8533 2.8580 3.3077 3.3672 3.5422 3.5831 3.6372 3.6471 4.1792 4.1982 4.2350 4.2633 4.4944 4.4966 4.6808 4.6810 9.5010 9.5675 11.4034 11.4602 11.7102 11.9128 12.1960 12.4017 13.2891 13.3397 k = 0.0455 0.0271-0.0136 ( 3634 PWs) bands (ev): -14.9798 -14.9784 -13.5055 -13.4951 -13.4445 -13.4358 -12.3399 -12.3375 -11.9833 -11.9813 -11.8698 -11.8681 -3.4937 -3.4836 -3.0249 -3.0181 -1.7908 -1.7850 -1.1040 -1.0507 -0.7655 -0.7367 0.1501 0.1661 1.0096 1.0291 1.2920 1.3030 1.3937 1.4342 1.9944 2.1292 2.3441 2.5177 2.8411 2.8476 3.2733 3.3368 3.5699 3.6036 3.6507 3.6677 4.1718 4.1917 4.2402 4.2728 4.4983 4.5011 4.6768 4.6770 9.4862 9.5743 11.3903 11.4666 11.6876 11.9480 12.1619 12.4346 13.2801 13.3469 k = 0.0568 0.0339-0.0170 ( 3634 PWs) bands (ev): -14.9737 -14.9719 -13.5092 -13.4982 -13.4363 -13.4274 -12.3429 -12.3400 -11.9951 -11.9924 -11.8717 -11.8697 -3.5105 -3.4978 -3.0336 -3.0252 -1.7752 -1.7684 -1.1025 -1.0382 -0.7550 -0.7219 0.1475 0.1675 0.9746 0.9996 1.2990 1.3150 1.3791 1.4286 2.0028 2.1691 2.3426 2.5543 2.8260 2.8347 3.2399 3.3067 3.5941 3.6191 3.6700 3.6943 4.1639 4.1838 4.2470 4.2831 4.5033 4.5069 4.6716 4.6719 9.4704 9.5798 11.3746 11.4715 11.6720 11.9815 12.1290 12.4667 13.2711 13.3537 k = 0.0682 0.0407-0.0203 ( 3632 PWs) bands (ev): -14.9661 -14.9640 -13.5124 -13.5009 -13.4273 -13.4184 -12.3466 -12.3430 -12.0091 -12.0059 -11.8741 -11.8718 -3.5325 -3.5174 -3.0405 -3.0307 -1.7575 -1.7500 -1.0992 -1.0253 -0.7409 -0.7051 0.1451 0.1690 0.9366 0.9672 1.3014 1.3208 1.3692 1.4243 2.0156 2.2114 2.3455 2.5919 2.8081 2.8200 3.2082 3.2784 3.6136 3.6317 3.6947 3.7239 4.1555 4.1748 4.2550 4.2944 4.5095 4.5137 4.6654 4.6657 9.4538 9.5840 11.3555 11.4750 11.6645 12.0112 12.0992 12.4982 13.2622 13.3600 k = 0.0795 0.0474-0.0237 ( 3632 PWs) bands (ev): -14.9572 -14.9547 -13.5151 -13.5032 -13.4178 -13.4089 -12.3508 -12.3467 -12.0254 -12.0217 -11.8770 -11.8744 -3.5603 -3.5429 -3.0442 -3.0332 -1.7385 -1.7304 -1.0939 -1.0120 -0.7231 -0.6864 0.1432 0.1710 0.8963 0.9324 1.2981 1.3141 1.3704 1.4228 2.0323 2.2548 2.3526 2.6292 2.7877 2.8048 3.1787 3.2527 3.6292 3.6429 3.7233 3.7543 4.1466 4.1651 4.2639 4.3067 4.5167 4.5217 4.6581 4.6587 9.4365 9.5870 11.3328 11.4780 11.6646 12.0274 12.0824 12.5289 13.2534 13.3659 k = 0.0909 0.0542-0.0271 ( 3629 PWs) bands (ev): -14.9469 -14.9441 -13.5172 -13.5050 -13.4077 -13.3989 -12.3557 -12.3510 -12.0439 -12.0395 -11.8805 -11.8776 -3.5938 -3.5745 -3.0438 -3.0319 -1.7189 -1.7104 -1.0867 -0.9983 -0.7018 -0.6660 0.1417 0.1737 0.8543 0.8956 1.2891 1.2980 1.3795 1.4243 2.0523 2.2977 2.3636 2.6640 2.7649 2.7915 3.1518 3.2305 3.6422 3.6531 3.7535 3.7844 4.1372 4.1547 4.2739 4.3203 4.5250 4.5306 4.6500 4.6508 9.4186 9.5888 11.3068 11.4815 11.6713 12.0133 12.0954 12.5589 13.2448 13.3713 k = 0.1023 0.0610-0.0305 ( 3633 PWs) bands (ev): -14.9352 -14.9320 -13.5188 -13.5064 -13.3971 -13.3885 -12.3611 -12.3559 -12.0645 -12.0595 -11.8844 -11.8813 -3.6330 -3.6120 -3.0389 -3.0264 -1.6994 -1.6906 -1.0777 -0.9843 -0.6773 -0.6441 0.1409 0.1773 0.8110 0.8571 1.2752 1.2785 1.3909 1.4283 2.0751 2.3381 2.3780 2.6924 2.7402 2.7842 3.1279 3.2126 3.6532 3.6626 3.7843 3.8136 4.1271 4.1434 4.2850 4.3353 4.5341 4.5404 4.6410 4.6424 9.4002 9.5894 11.2786 11.4862 11.6832 11.9867 12.1203 12.5883 13.2363 13.3764 k = 0.1136 0.0678-0.0339 ( 3641 PWs) bands (ev): -14.9222 -14.9187 -13.5198 -13.5072 -13.3861 -13.3777 -12.3671 -12.3614 -12.0871 -12.0815 -11.8889 -11.8855 -3.6773 -3.6550 -3.0292 -3.0164 -1.6806 -1.6716 -1.0669 -0.9697 -0.6497 -0.6206 0.1409 0.1819 0.7670 0.8172 1.2565 1.2589 1.4024 1.4337 2.1004 2.3729 2.3957 2.7059 2.7172 2.7895 3.1076 3.2001 3.6624 3.6710 3.8147 3.8415 4.1164 4.1313 4.2971 4.3518 4.5440 4.5509 4.6317 4.6337 9.3814 9.5890 11.2489 11.4927 11.6990 11.9586 12.1465 12.6170 13.2281 13.3811 k = 0.1250 0.0745-0.0373 ( 3642 PWs) bands (ev): -14.9078 -14.9039 -13.5202 -13.5074 -13.3748 -13.3665 -12.3737 -12.3675 -12.1116 -12.1054 -11.8938 -11.8901 -3.7260 -3.7026 -3.0151 -3.0022 -1.6632 -1.6540 -1.0541 -0.9542 -0.6197 -0.5957 0.1419 0.1878 0.7225 0.7762 1.2344 1.2396 1.4135 1.4400 2.1274 2.3983 2.4165 2.6841 2.7193 2.8063 3.0911 3.1939 3.6701 3.6781 3.8442 3.8680 4.1052 4.1184 4.3102 4.3695 4.5542 4.5618 4.6223 4.6254 9.3624 9.5875 11.2188 11.5011 11.7178 11.9313 12.1718 12.6451 13.2202 13.3855 k = 0.1364 0.0813-0.0407 ( 3636 PWs) bands (ev): -14.8921 -14.8879 -13.5201 -13.5071 -13.3631 -13.3551 -12.3808 -12.3742 -12.1379 -12.1311 -11.8991 -11.8953 -3.7783 -3.7541 -2.9968 -2.9839 -1.6476 -1.6381 -1.0394 -0.9377 -0.5875 -0.5695 0.1439 0.1950 0.6779 0.7344 1.2114 1.2190 1.4242 1.4465 2.1556 2.4117 2.4391 2.6566 2.7277 2.8258 3.0792 3.1950 3.6760 3.6837 3.8726 3.8930 4.0934 4.1047 4.3238 4.3882 4.5645 4.5726 4.6140 4.6183 9.3433 9.5851 11.1889 11.5115 11.7389 11.9054 12.1958 12.6727 13.2124 13.3897 k = 0.1477 0.0881-0.0441 ( 3640 PWs) bands (ev): -14.8750 -14.8705 -13.5195 -13.5063 -13.3512 -13.3433 -12.3885 -12.3815 -12.1660 -12.1585 -11.9049 -11.9008 -3.8335 -3.8087 -2.9748 -2.9620 -1.6342 -1.6245 -1.0229 -0.9201 -0.5535 -0.5420 0.1470 0.2035 0.6337 0.6922 1.1876 1.1977 1.4342 1.4532 2.1839 2.4126 2.4620 2.6300 2.7425 2.8422 3.0727 3.2038 3.6801 3.6875 3.8998 3.9164 4.0813 4.0901 4.3372 4.4067 4.5737 4.5816 4.6091 4.6141 9.3242 9.5819 11.1599 11.5238 11.7617 11.8812 12.2183 12.6996 13.2049 13.3938 k = 0.1591 0.0949-0.0475 ( 3644 PWs) bands (ev): -14.8567 -14.8518 -13.5183 -13.5049 -13.3390 -13.3314 -12.3967 -12.3894 -12.1956 -12.1874 -11.9110 -11.9068 -3.8910 -3.8656 -2.9493 -2.9368 -1.6234 -1.6133 -1.0047 -0.9011 -0.5185 -0.5130 0.1513 0.2135 0.5900 0.6500 1.1631 1.1757 1.4439 1.4599 2.2111 2.4020 2.4841 2.6071 2.7623 2.8533 3.0727 3.2200 3.6824 3.6893 3.9256 3.9384 4.0690 4.0748 4.3494 4.4235 4.5803 4.5870 4.6114 4.6154 9.3051 9.5779 11.1323 11.5381 11.7855 11.8593 12.2392 12.7261 13.1976 13.3977 k = 0.1705 0.1016-0.0509 ( 3646 PWs) bands (ev): -14.8370 -14.8318 -13.5166 -13.5031 -13.3266 -13.3193 -12.4055 -12.3980 -12.2268 -12.2179 -11.9175 -11.9131 -3.9501 -3.9244 -2.9207 -2.9084 -1.6154 -1.6048 -0.9849 -0.8809 -0.4850 -0.4802 0.1566 0.2247 0.5473 0.6081 1.1380 1.1533 1.4532 1.4667 2.2351 2.3831 2.5024 2.5925 2.7830 2.8588 3.0806 3.2425 3.6828 3.6890 3.9499 3.9590 4.0568 4.0590 4.3590 4.4362 4.5835 4.5927 4.6195 4.6233 9.2864 9.5734 11.1064 11.5541 11.8087 11.8414 12.2587 12.7519 13.1905 13.4015 k = 0.1818 0.1084-0.0542 ( 3652 PWs) bands (ev): -14.8161 -14.8106 -13.5144 -13.5008 -13.3141 -13.3070 -12.4149 -12.4074 -12.2593 -12.2496 -11.9243 -11.9197 -4.0102 -3.9843 -2.8892 -2.8772 -1.6102 -1.5991 -0.9638 -0.8597 -0.4537 -0.4433 0.1630 0.2370 0.5059 0.5672 1.1124 1.1305 1.4623 1.4737 2.2528 2.3593 2.5125 2.5928 2.8005 2.8597 3.0975 3.2694 3.6814 3.6863 3.9724 3.9782 4.0428 4.0460 4.3644 4.4423 4.5882 4.6037 4.6302 4.6352 9.2681 9.5683 11.0825 11.5718 11.8140 11.8444 12.2766 12.7769 13.1838 13.4052 k = 0.1932 0.1152-0.0576 ( 3648 PWs) bands (ev): -14.7939 -14.7881 -13.5118 -13.4980 -13.3015 -13.2946 -12.4250 -12.4176 -12.2930 -12.2822 -11.9313 -11.9266 -4.0710 -4.0449 -2.8551 -2.8435 -1.6078 -1.5961 -0.9417 -0.8375 -0.4220 -0.4054 0.1702 0.2502 0.4665 0.5279 1.0862 1.1073 1.4715 1.4809 2.2602 2.3336 2.5175 2.6081 2.8125 2.8569 3.1234 3.2988 3.6780 3.6812 3.9915 3.9946 4.0288 4.0376 4.3646 4.4411 4.5979 4.6210 4.6423 4.6488 9.2503 9.5629 11.0609 11.5911 11.8007 11.8691 12.2932 12.8012 13.1774 13.4088 k = 0.2045 0.1220-0.0610 ( 3651 PWs) bands (ev): -14.7705 -14.7644 -13.5087 -13.4949 -13.2888 -13.2823 -12.4358 -12.4289 -12.3276 -12.3156 -11.9385 -11.9337 -4.1319 -4.1057 -2.8186 -2.8074 -1.6081 -1.5957 -0.9189 -0.8150 -0.3899 -0.3672 0.1783 0.2639 0.4294 0.4911 1.0595 1.0838 1.4808 1.4886 2.2540 2.3085 2.5262 2.6309 2.8186 2.8513 3.1569 3.3290 3.6728 3.6735 3.9973 4.0038 4.0260 4.0379 4.3596 4.4340 4.6131 4.6433 4.6551 4.6638 9.2332 9.5571 11.0417 11.6118 11.7873 11.8967 12.3083 12.8243 13.1715 13.4123 k = 0.2159 0.1287-0.0644 ( 3650 PWs) bands (ev): -14.7459 -14.7395 -13.5052 -13.4913 -13.2762 -13.2699 -12.4476 -12.4417 -12.3626 -12.3489 -11.9460 -11.9410 -4.1925 -4.1665 -2.7799 -2.7690 -1.6108 -1.5979 -0.8960 -0.7926 -0.3576 -0.3292 0.1868 0.2777 0.3957 0.4579 1.0325 1.0599 1.4903 1.4968 2.2352 2.2845 2.5428 2.6564 2.8195 2.8435 3.1958 3.3583 3.6631 3.6658 3.9859 4.0030 4.0381 4.0512 4.3502 4.4231 4.6331 4.6658 4.6682 4.6834 9.2170 9.5512 11.0252 11.6340 11.7757 11.9251 12.3221 12.8458 13.1665 13.4157 k = 0.2273 0.1355-0.0678 ( 3644 PWs) bands (ev): -14.7202 -14.7135 -13.5013 -13.4874 -13.2636 -13.2577 -12.4611 -12.4571 -12.3973 -12.3811 -11.9535 -11.9484 -4.2527 -4.2269 -2.7391 -2.7287 -1.6159 -1.6023 -0.8733 -0.7709 -0.3258 -0.2920 0.1956 0.2905 0.3662 0.4300 1.0051 1.0357 1.5001 1.5056 2.2089 2.2599 2.5661 2.6823 2.8167 2.8341 3.2374 3.3852 3.6502 3.6572 3.9719 3.9983 4.0528 4.0694 4.3379 4.4103 4.6563 4.6816 4.6833 4.7108 9.2018 9.5451 11.0115 11.6574 11.7660 11.9541 12.3346 12.8652 13.1627 13.4189 k = 0.2386 0.1423-0.0712 ( 3639 PWs) bands (ev): -14.6932 -14.6863 -13.4972 -13.4832 -13.2512 -13.2457 -12.4782 -12.4768 -12.4295 -12.4103 -11.9611 -11.9560 -4.3121 -4.2866 -2.6965 -2.6864 -1.6229 -1.6087 -0.8515 -0.7505 -0.2954 -0.2565 0.2047 0.3004 0.3427 0.4097 0.9774 1.0113 1.5104 1.5152 2.1795 2.2336 2.5938 2.7071 2.8116 2.8234 3.2793 3.4082 3.6352 3.6476 3.9591 3.9942 4.0669 4.0886 4.3243 4.3969 4.6807 4.6952 4.6990 4.7423 9.1877 9.5390 11.0006 11.6819 11.7582 11.9833 12.3460 12.8818 13.1607 13.4220 k = 0.2500 0.1491-0.0746 ( 3641 PWs) bands (ev): -14.6652 -14.6580 -13.4927 -13.4787 -13.2391 -13.2340 -12.5025 -12.5021 -12.4558 -12.4345 -11.9688 -11.9636 -4.3704 -4.3453 -2.6520 -2.6424 -1.6316 -1.6169 -0.8311 -0.7322 -0.2676 -0.2236 0.2143 0.3034 0.3291 0.3998 0.9495 0.9867 1.5213 1.5255 2.1494 2.2063 2.6236 2.7290 2.8058 2.8118 3.3190 3.4256 3.6187 3.6381 3.9486 3.9913 4.0791 4.1080 4.3109 4.3842 4.7013 4.7089 4.7187 4.7751 9.1749 9.5329 10.9927 11.7073 11.7523 12.0127 12.3561 12.8947 13.1612 13.4249 k = 0.2614 0.1558-0.0780 ( 3638 PWs) bands (ev): -14.6361 -14.6286 -13.4881 -13.4741 -13.2272 -13.2227 -12.5343 -12.5333 -12.4750 -12.4538 -11.9765 -11.9713 -4.4274 -4.4028 -2.6059 -2.5968 -1.6417 -1.6266 -0.8126 -0.7167 -0.2436 -0.1948 0.2254 0.2991 0.3269 0.4011 0.9216 0.9620 1.5326 1.5366 2.1195 2.1786 2.6537 2.7447 2.7983 2.8041 3.3533 3.4355 3.6022 3.6305 3.9413 3.9894 4.0883 4.1276 4.2997 4.3732 4.7161 4.7219 4.7448 4.8082 9.1635 9.5268 10.9878 11.7332 11.7483 12.0421 12.3652 12.9030 13.1649 13.4275 k = 0.2727 0.1626-0.0814 ( 3640 PWs) bands (ev): -14.6059 -14.5982 -13.4833 -13.4694 -13.2159 -13.2119 -12.5700 -12.5684 -12.4904 -12.4700 -11.9842 -11.9790 -4.4829 -4.4589 -2.5584 -2.5497 -1.6529 -1.6374 -0.7967 -0.7048 -0.2247 -0.1712 0.2394 0.2972 0.3297 0.4116 0.8937 0.9372 1.5446 1.5483 2.0905 2.1512 2.6825 2.7489 2.7859 2.8092 3.3780 3.4359 3.5882 3.6273 3.9379 3.9876 4.0936 4.1479 4.2923 4.3648 4.7288 4.7341 4.7729 4.8408 9.1538 9.5207 10.9859 11.7438 11.7617 12.0714 12.3733 12.9063 13.1720 13.4300 k = 0.2841 0.1694-0.0848 ( 3638 PWs) bands (ev): -14.5748 -14.5669 -13.4785 -13.4646 -13.2051 -13.2019 -12.6074 -12.6053 -12.5044 -12.4847 -11.9917 -11.9866 -4.5367 -4.5134 -2.5094 -2.5013 -1.6649 -1.6492 -0.7841 -0.6972 -0.2118 -0.1533 0.2577 0.3033 0.3360 0.4279 0.8661 0.9126 1.5572 1.5607 2.0629 2.1246 2.7073 2.7425 2.7749 2.8220 3.3883 3.4265 3.5798 3.6302 3.9384 3.9848 4.0946 4.1694 4.2900 4.3596 4.7405 4.7458 4.8013 4.8723 9.1457 9.5146 10.9871 11.7421 11.7890 12.1004 12.3806 12.9041 13.1828 13.4323 k = 0.2955 0.1762-0.0882 ( 3642 PWs) bands (ev): -14.5427 -14.5346 -13.4738 -13.4600 -13.1952 -13.1927 -12.6451 -12.6428 -12.5179 -12.4985 -11.9992 -11.9941 -4.5887 -4.5661 -2.4592 -2.4516 -1.6775 -1.6616 -0.7755 -0.6947 -0.2045 -0.1407 0.2792 0.3192 0.3461 0.4487 0.8389 0.8881 1.5703 1.5736 2.0368 2.0991 2.7204 2.7308 2.7722 2.8370 3.3809 3.4087 3.5789 3.6393 3.9420 3.9797 4.0928 4.1925 4.2931 4.3581 4.7515 4.7568 4.8291 4.9024 9.1395 9.5086 10.9913 11.7408 11.8171 12.1291 12.3870 12.8970 13.1966 13.4344 k = 0.3068 0.1829-0.0915 ( 3637 PWs) bands (ev): -14.5098 -14.5014 -13.4691 -13.4555 -13.1863 -13.1845 -12.6824 -12.6801 -12.5311 -12.5120 -12.0065 -12.0015 -4.6386 -4.6168 -2.4080 -2.4008 -1.6904 -1.6744 -0.7718 -0.6977 -0.2019 -0.1321 0.3009 0.3434 0.3629 0.4735 0.8125 0.8641 1.5838 1.5868 2.0125 2.0750 2.7129 2.7185 2.7847 2.8513 3.3585 3.3840 3.5840 3.6526 3.9465 3.9719 4.0914 4.2175 4.3007 4.3603 4.7618 4.7672 4.8559 4.9308 9.1352 9.5025 10.9985 11.7397 11.8457 12.1573 12.3929 12.8853 13.2127 13.4363 k = 0.3182 0.1897-0.0949 ( 3639 PWs) bands (ev): -14.4760 -14.4675 -13.4648 -13.4514 -13.1791 -13.1775 -12.7186 -12.7166 -12.5441 -12.5253 -12.0136 -12.0087 -4.6863 -4.6655 -2.3557 -2.3491 -1.7033 -1.6873 -0.7736 -0.7066 -0.2021 -0.1259 0.3203 0.3656 0.3947 0.5027 0.7873 0.8406 1.5976 1.6002 1.9903 2.0527 2.6964 2.7033 2.8035 2.8637 3.3267 3.3532 3.5924 3.6677 3.9482 3.9610 4.0955 4.2444 4.3116 4.3659 4.7715 4.7770 4.8814 4.9570 9.1330 9.4963 11.0086 11.7385 11.8746 12.1848 12.3983 12.8697 13.2305 13.4381 k = 0.3295 0.1965-0.0983 ( 3647 PWs) bands (ev): -14.4415 -14.4328 -13.4610 -13.4478 -13.1742 -13.1717 -12.7533 -12.7514 -12.5571 -12.5385 -12.0204 -12.0157 -4.7318 -4.7119 -2.3028 -2.2966 -1.7160 -1.7001 -0.7815 -0.7214 -0.2031 -0.1206 0.3369 0.3844 0.4391 0.5366 0.7641 0.8178 1.6114 1.6137 1.9704 2.0322 2.6778 2.6851 2.8220 2.8738 3.2896 3.3178 3.6020 3.6828 3.9433 3.9476 4.1091 4.2729 4.3247 4.3746 4.7803 4.7860 4.9054 4.9809 9.1328 9.4900 11.0216 11.7367 11.9038 12.2115 12.4035 12.8510 13.2491 13.4398 k = 0.3409 0.2033-0.1017 ( 3643 PWs) bands (ev): -14.4063 -14.3975 -13.4578 -13.4448 -13.1717 -13.1677 -12.7860 -12.7835 -12.5700 -12.5516 -12.0270 -12.0224 -4.7748 -4.7560 -2.2492 -2.2434 -1.7282 -1.7124 -0.7959 -0.7420 -0.2035 -0.1151 0.3510 0.4025 0.4888 0.5742 0.7445 0.7962 1.6249 1.6269 1.9531 2.0140 2.6577 2.6650 2.8384 2.8811 3.2496 3.2794 3.6122 3.6970 3.9298 3.9338 4.1329 4.3022 4.3390 4.3861 4.7884 4.7942 4.9276 5.0023 9.1347 9.4834 11.0373 11.7338 11.9332 12.2374 12.4087 12.8295 13.2678 13.4414 k = 0.3523 0.2100-0.1051 ( 3654 PWs) bands (ev): -14.3706 -14.3617 -13.4554 -13.4429 -13.1720 -13.1661 -12.8160 -12.8121 -12.5827 -12.5646 -12.0333 -12.0289 -4.8153 -4.7976 -2.1953 -2.1898 -1.7397 -1.7239 -0.8165 -0.7680 -0.2020 -0.1089 0.3631 0.4193 0.5395 0.6124 0.7324 0.7765 1.6376 1.6396 1.9387 1.9982 2.6362 2.6435 2.8517 2.8854 3.2084 3.2397 3.6227 3.7100 3.9118 3.9178 4.1644 4.3313 4.3538 4.4003 4.7956 4.8016 4.9478 5.0210 9.1387 9.4766 11.0557 11.7294 11.9628 12.2622 12.4140 12.8058 13.2863 13.4430 k = 0.3636 0.2168-0.1085 ( 3662 PWs) bands (ev): -14.3344 -14.3255 -13.4542 -13.4423 -13.1754 -13.1674 -12.8423 -12.8367 -12.5952 -12.5774 -12.0392 -12.0350 -4.8531 -4.8366 -2.1415 -2.1362 -1.7501 -1.7342 -0.8432 -0.7990 -0.1982 -0.1021 0.3736 0.4342 0.5841 0.6451 0.7365 0.7610 1.6489 1.6515 1.9278 1.9852 2.6133 2.6205 2.8614 2.8865 3.1673 3.2001 3.6333 3.7218 3.8920 3.9000 4.2009 4.3589 4.3688 4.4176 4.8019 4.8081 4.9661 5.0369 9.1447 9.4693 11.0765 11.7229 11.9926 12.2859 12.4196 12.7802 13.3041 13.4445 k = 0.3750 0.2236-0.1119 ( 3657 PWs) bands (ev): -14.2979 -14.2890 -13.4546 -13.4432 -13.1818 -13.1719 -12.8642 -12.8568 -12.6075 -12.5901 -12.0448 -12.0408 -4.8881 -4.8728 -2.0883 -2.0828 -1.7590 -1.7426 -0.8752 -0.8344 -0.1919 -0.0946 0.3830 0.4469 0.6066 0.6727 0.7485 0.7719 1.6584 1.6620 1.9209 1.9754 2.5889 2.5961 2.8671 2.8839 3.1279 3.1622 3.6438 3.7325 3.8711 3.8817 4.2403 4.3812 4.3859 4.4387 4.8072 4.8135 4.9823 5.0500 9.1528 9.4615 11.0997 11.7141 12.0226 12.3081 12.4255 12.7532 13.3209 13.4460 k = 0.3864 0.2304-0.1153 ( 3665 PWs) bands (ev): -14.2613 -14.2525 -13.4568 -13.4463 -13.1909 -13.1795 -12.8812 -12.8722 -12.6193 -12.6024 -12.0499 -12.0463 -4.9204 -4.9063 -2.0367 -2.0306 -1.7654 -1.7483 -0.9118 -0.8738 -0.1835 -0.0870 0.3912 0.4574 0.6058 0.6855 0.7708 0.8157 1.6654 1.6705 1.9186 1.9694 2.5629 2.5701 2.8679 2.8774 3.0920 3.1274 3.6541 3.7422 3.8499 3.8639 4.2806 4.3960 4.4065 4.4636 4.8114 4.8179 4.9964 5.0603 9.1627 9.4531 11.1250 11.7026 12.0528 12.3289 12.4319 12.7251 13.3365 13.4473 k = 0.3977 0.2371-0.1187 ( 3661 PWs) bands (ev): -14.2248 -14.2161 -13.4612 -13.4519 -13.2019 -13.1897 -12.8934 -12.8831 -12.6307 -12.6145 -12.0547 -12.0513 -4.9497 -4.9369 -1.9882 -1.9810 -1.7681 -1.7496 -0.9523 -0.9166 -0.1732 -0.0794 0.3984 0.4654 0.5970 0.6784 0.8177 0.8664 1.6695 1.6767 1.9211 1.9674 2.5351 2.5422 2.8630 2.8672 3.0614 3.0971 3.6640 3.7510 3.8291 3.8472 4.3202 4.4091 4.4257 4.4910 4.8144 4.8212 5.0086 5.0679 9.1744 9.4441 11.1523 11.6883 12.0832 12.3479 12.4387 12.6961 13.3509 13.4485 k = 0.4091 0.2439-0.1221 ( 3662 PWs) bands (ev): -14.1888 -14.1803 -13.4683 -13.4604 -13.2137 -13.2014 -12.9012 -12.8903 -12.6415 -12.6260 -12.0589 -12.0559 -4.9761 -4.9646 -1.9456 -1.9368 -1.7641 -1.7437 -0.9961 -0.9623 -0.1616 -0.0725 0.4047 0.4708 0.5874 0.6659 0.8717 0.9187 1.6705 1.6800 1.9288 1.9700 2.5052 2.5124 2.8514 2.8542 3.0376 3.0719 3.6731 3.7589 3.8090 3.8321 4.3572 4.4210 4.4449 4.5191 4.8162 4.8233 5.0188 5.0731 9.1876 9.4342 11.1813 11.6712 12.1138 12.3648 12.4457 12.6666 13.3641 13.4493 k = 0.4205 0.2507-0.1254 ( 3659 PWs) bands (ev): -14.1535 -14.1453 -13.4782 -13.4720 -13.2251 -13.2135 -12.9055 -12.8944 -12.6514 -12.6370 -12.0627 -12.0600 -4.9994 -4.9893 -1.9126 -1.9025 -1.7491 -1.7270 -1.0426 -1.0106 -0.1492 -0.0664 0.4101 0.4731 0.5796 0.6529 0.9263 0.9700 1.6688 1.6804 1.9413 1.9771 2.4733 2.4804 2.8348 2.8385 3.0208 3.0520 3.6811 3.7658 3.7902 3.8190 4.3892 4.4317 4.4663 4.5466 4.8166 4.8242 5.0273 5.0759 9.2022 9.4234 11.2119 11.6511 12.1446 12.3794 12.4529 12.6371 13.3760 13.4497 k = 0.4318 0.2575-0.1288 ( 3667 PWs) bands (ev): -14.1194 -14.1117 -13.4908 -13.4863 -13.2352 -13.2248 -12.9070 -12.8963 -12.6605 -12.6473 -12.0660 -12.0637 -5.0196 -5.0109 -1.8913 -1.8816 -1.7197 -1.6972 -1.0913 -1.0609 -0.1363 -0.0616 0.4148 0.4724 0.5747 0.6405 0.9788 1.0186 1.6648 1.6781 1.9583 1.9887 2.4395 2.4465 2.8166 2.8205 3.0099 3.0368 3.6877 3.7717 3.7730 3.8084 4.4139 4.4410 4.4917 4.5726 4.8158 4.8237 5.0343 5.0767 9.2180 9.4117 11.2438 11.6283 12.1755 12.3912 12.4600 12.6080 13.3868 13.4496 k = 0.4432 0.2642-0.1322 ( 3660 PWs) bands (ev): -14.0873 -14.0802 -13.5055 -13.5026 -13.2434 -13.2346 -12.9066 -12.8968 -12.6684 -12.6567 -12.0688 -12.0668 -5.0366 -5.0294 -1.8800 -1.8720 -1.6779 -1.6562 -1.1418 -1.1129 -0.1234 -0.0583 0.4189 0.4691 0.5728 0.6292 1.0278 1.0630 1.6593 1.6733 1.9789 2.0044 2.4042 2.4111 2.7989 2.8022 3.0033 3.0254 3.6929 3.7573 3.7769 3.8004 4.4316 4.4490 4.5206 4.5961 4.8136 4.8221 5.0401 5.0759 9.2346 9.3991 11.2768 11.6029 12.2064 12.3996 12.4668 12.5800 13.3966 13.4488 k = 0.4545 0.2710-0.1356 ( 3660 PWs) bands (ev): -14.0580 -14.0517 -13.5213 -13.5197 -13.2495 -13.2426 -12.9050 -12.8966 -12.6749 -12.6651 -12.0711 -12.0695 -5.0505 -5.0447 -1.8747 -1.8686 -1.6291 -1.6079 -1.1939 -1.1664 -0.1108 -0.0568 0.4228 0.4640 0.5733 0.6190 1.0717 1.1016 1.6533 1.6669 2.0024 2.0232 2.3684 2.3750 2.7831 2.7856 2.9995 3.0168 3.6967 3.7437 3.7809 3.7950 4.4440 4.4554 4.5503 4.6161 4.8105 4.8193 5.0449 5.0739 9.2519 9.3855 11.3106 11.5753 12.2373 12.4034 12.4733 12.5543 13.4055 13.4472 k = 0.4659 0.2778-0.1390 ( 3664 PWs) bands (ev): -14.0326 -14.0274 -13.5367 -13.5360 -13.2538 -13.2487 -12.9028 -12.8961 -12.6800 -12.6723 -12.0728 -12.0716 -5.0612 -5.0568 -1.8724 -1.8681 -1.5765 -1.5556 -1.2471 -1.2210 -0.0989 -0.0572 0.4266 0.4580 0.5756 0.6100 1.1092 1.1329 1.6478 1.6596 2.0274 2.0437 2.3338 2.3399 2.7701 2.7718 2.9977 3.0104 3.6996 3.7321 3.7840 3.7917 4.4528 4.4603 4.5785 4.6315 4.8071 4.8155 5.0490 5.0709 9.2695 9.3710 11.3449 11.5457 12.2677 12.4012 12.4792 12.5322 13.4135 13.4449 k = 0.4773 0.2846-0.1424 ( 3657 PWs) bands (ev): -14.0124 -14.0088 -13.5499 -13.5494 -13.2564 -13.2531 -12.9005 -12.8958 -12.6833 -12.6780 -12.0740 -12.0732 -5.0686 -5.0657 -1.8715 -1.8687 -1.5222 -1.5010 -1.3013 -1.2764 -0.0880 -0.0596 0.4307 0.4517 0.5793 0.6021 1.1388 1.1554 1.6437 1.6525 2.0518 2.0635 2.3031 2.3082 2.7606 2.7616 2.9972 3.0055 3.7022 3.7226 3.7861 3.7900 4.4590 4.4635 4.6034 4.6408 4.8043 4.8113 5.0528 5.0675 9.2873 9.3555 11.3795 11.5145 12.2976 12.3918 12.4846 12.5153 13.4207 13.4417 k = 0.4886 0.2913-0.1458 ( 3657 PWs) bands (ev): -13.9991 -13.9972 -13.5587 -13.5584 -13.2576 -13.2559 -12.8985 -12.8961 -12.6848 -12.6821 -12.0747 -12.0742 -5.0728 -5.0713 -1.8710 -1.8696 -1.4671 -1.4453 -1.3560 -1.3324 -0.0784 -0.0640 0.4352 0.4457 0.5838 0.5952 1.1591 1.1676 1.6419 1.6467 2.0718 2.0783 2.2811 2.2842 2.7548 2.7553 2.9978 3.0019 3.7053 3.7151 3.7876 3.7891 4.4630 4.4651 4.6233 4.6428 4.8032 4.8072 5.0565 5.0638 9.3050 9.3393 11.4141 11.4819 12.3261 12.3751 12.4899 12.5036 13.4271 13.4376 k = 0.5000 0.2981-0.1492 ( 3662 PWs) bands (ev): -13.9939 -13.9939 -13.5618 -13.5618 -13.2574 -13.2574 -12.8969 -12.8969 -12.6844 -12.6844 -12.0747 -12.0747 -5.0737 -5.0737 -1.8704 -1.8704 -1.4123 -1.4123 -1.3881 -1.3881 -0.0703 -0.0703 0.4401 0.4401 0.5891 0.5891 1.1689 1.1689 1.6429 1.6429 2.0820 2.0820 2.2738 2.2738 2.7531 2.7531 2.9994 2.9994 3.7094 3.7094 3.7885 3.7885 4.4649 4.4649 4.6369 4.6369 4.8042 4.8042 5.0601 5.0601 9.3224 9.3224 11.4483 11.4483 12.3525 12.3525 12.4958 12.4958 13.4327 13.4327 k = 0.5000 0.2981-0.1492 ( 3662 PWs) bands (ev): -13.9939 -13.9939 -13.5618 -13.5618 -13.2574 -13.2574 -12.8969 -12.8969 -12.6844 -12.6844 -12.0747 -12.0747 -5.0737 -5.0737 -1.8704 -1.8704 -1.4123 -1.4123 -1.3881 -1.3881 -0.0703 -0.0703 0.4401 0.4401 0.5891 0.5891 1.1689 1.1689 1.6429 1.6429 2.0820 2.0820 2.2738 2.2738 2.7531 2.7531 2.9994 2.9994 3.7094 3.7094 3.7885 3.7885 4.4649 4.4649 4.6369 4.6369 4.8042 4.8042 5.0601 5.0601 9.3224 9.3224 11.4483 11.4483 12.3525 12.3525 12.4958 12.4958 13.4327 13.4327 k = 0.5028 0.2998-0.1366 ( 3658 PWs) bands (ev): -13.9935 -13.9934 -13.5626 -13.5625 -13.2589 -13.2574 -12.8963 -12.8946 -12.6846 -12.6841 -12.0753 -12.0751 -5.0730 -5.0723 -1.8723 -1.8688 -1.4231 -1.4047 -1.3972 -1.3829 -0.0713 -0.0680 0.4287 0.4506 0.5835 0.6025 1.1650 1.1714 1.6431 1.6439 2.0797 2.0815 2.2758 2.2771 2.7508 2.7529 2.9980 3.0013 3.6753 3.7233 3.7777 3.8161 4.4632 4.4678 4.6345 4.6380 4.8025 4.8056 5.0570 5.0641 9.3182 9.3266 11.4392 11.4578 12.3476 12.3575 12.4922 12.5000 13.4251 13.4375 k = 0.5055 0.3014-0.1241 ( 3657 PWs) bands (ev): -13.9924 -13.9922 -13.5650 -13.5648 -13.2617 -13.2589 -12.8927 -12.8893 -12.6848 -12.6838 -12.0768 -12.0763 -5.0703 -5.0690 -1.8745 -1.8675 -1.4377 -1.4105 -1.3995 -1.3810 -0.0707 -0.0645 0.4180 0.4584 0.5874 0.6217 1.1599 1.1726 1.6443 1.6458 2.0751 2.0786 2.2827 2.2851 2.7462 2.7502 2.9972 3.0037 3.6370 3.7003 3.8006 3.8448 4.4627 4.4717 4.6309 4.6376 4.8004 4.8065 5.0547 5.0689 9.3138 9.3307 11.4306 11.4676 12.3428 12.3625 12.4892 12.5047 13.4148 13.4392 k = 0.5083 0.3030-0.1116 ( 3650 PWs) bands (ev): -13.9904 -13.9902 -13.5690 -13.5688 -13.2655 -13.2616 -12.8863 -12.8813 -12.6850 -12.6834 -12.0791 -12.0784 -5.0657 -5.0636 -1.8772 -1.8668 -1.4566 -1.4278 -1.3962 -1.3819 -0.0687 -0.0605 0.4090 0.4629 0.6015 0.6454 1.1535 1.1725 1.6467 1.6488 2.0689 2.0739 2.2939 2.2971 2.7394 2.7452 2.9971 3.0066 3.5972 3.6663 3.8312 3.8720 4.4633 4.4765 4.6265 4.6359 4.7978 4.8070 5.0532 5.0745 9.3094 9.3347 11.4223 11.4777 12.3382 12.3676 12.4868 12.5099 13.4018 13.4378 k = 0.5110 0.3047-0.0990 ( 3650 PWs) bands (ev): -13.9877 -13.9874 -13.5748 -13.5744 -13.2701 -13.2651 -12.8776 -12.8710 -12.6851 -12.6829 -12.0824 -12.0814 -5.0591 -5.0563 -1.8805 -1.8667 -1.4797 -1.4488 -1.3945 -1.3845 -0.0657 -0.0566 0.4025 0.4653 0.6244 0.6728 1.1460 1.1715 1.6500 1.6525 2.0619 2.0684 2.3083 2.3119 2.7306 2.7380 2.9976 3.0099 3.5569 3.6295 3.8613 3.8968 4.4648 4.4820 4.6215 4.6329 4.7949 4.8070 5.0525 5.0809 9.3049 9.3386 11.4145 11.4880 12.3338 12.3728 12.4849 12.5157 13.3865 13.4333 k = 0.5138 0.3063-0.0865 ( 3651 PWs) bands (ev): -13.9842 -13.9839 -13.5823 -13.5817 -13.2749 -13.2692 -12.8668 -12.8588 -12.6852 -12.6823 -12.0865 -12.0853 -5.0506 -5.0472 -1.8848 -1.8677 -1.5064 -1.4728 -1.3940 -1.3884 -0.0622 -0.0533 0.3988 0.4677 0.6540 0.7028 1.1375 1.1696 1.6543 1.6569 2.0549 2.0627 2.3249 2.3287 2.7199 2.7287 2.9988 3.0135 3.5167 3.5917 3.8893 3.9190 4.4670 4.4879 4.6163 4.6288 4.7914 4.8064 5.0525 5.0881 9.3004 9.3423 11.4071 11.4986 12.3297 12.3780 12.4837 12.5219 13.3691 13.4256 k = 0.5166 0.3080-0.0740 ( 3654 PWs) bands (ev): -13.9799 -13.9795 -13.5916 -13.5908 -13.2794 -13.2733 -12.8546 -12.8452 -12.6851 -12.6813 -12.0915 -12.0901 -5.0403 -5.0363 -1.8903 -1.8703 -1.5355 -1.4993 -1.3949 -1.3927 -0.0590 -0.0513 0.3980 0.4712 0.6884 0.7349 1.1284 1.1674 1.6593 1.6619 2.0485 2.0577 2.3427 2.3464 2.7076 2.7178 3.0006 3.0174 3.4772 3.5536 3.9144 3.9383 4.4698 4.4939 4.6113 4.6238 4.7875 4.8052 5.0534 5.0960 9.2959 9.3460 11.4001 11.5094 12.3257 12.3834 12.4832 12.5287 13.3496 13.4149 k = 0.5193 0.3096-0.0614 ( 3652 PWs) bands (ev): -13.9749 -13.9745 -13.6028 -13.6016 -13.2835 -13.2770 -12.8413 -12.8305 -12.6847 -12.6800 -12.0973 -12.0957 -5.0283 -5.0237 -1.8977 -1.8752 -1.5655 -1.5270 -1.3991 -1.3949 -0.0567 -0.0505 0.4002 0.4769 0.7261 0.7680 1.1190 1.1651 1.6650 1.6674 2.0430 2.0538 2.3609 2.3643 2.6941 2.7054 3.0031 3.0215 3.4393 3.5160 3.9363 3.9547 4.4726 4.4993 4.6067 4.6182 4.7831 4.8037 5.0551 5.1046 9.2913 9.3494 11.3937 11.5204 12.3221 12.3890 12.4834 12.5358 13.3283 13.4010 k = 0.5221 0.3113-0.0489 ( 3652 PWs) bands (ev): -13.9692 -13.9686 -13.6157 -13.6141 -13.2867 -13.2801 -12.8274 -12.8152 -12.6840 -12.6782 -12.1040 -12.1021 -5.0147 -5.0095 -1.9075 -1.8834 -1.5948 -1.5548 -1.4046 -1.3967 -0.0565 -0.0506 0.4054 0.4849 0.7656 0.8010 1.1097 1.1635 1.6711 1.6734 2.0389 2.0513 2.3786 2.3816 2.6797 2.6918 3.0061 3.0257 3.4036 3.4794 3.9547 3.9683 4.4751 4.5037 4.6029 4.6123 4.7782 4.8017 5.0575 5.1139 9.2867 9.3528 11.3877 11.5315 12.3186 12.3948 12.4845 12.5434 13.3055 13.3843 k = 0.5248 0.3129-0.0364 ( 3655 PWs) bands (ev): -13.9627 -13.9621 -13.6303 -13.6282 -13.2890 -13.2824 -12.8135 -12.7998 -12.6826 -12.6755 -12.1115 -12.1094 -4.9997 -4.9939 -1.9203 -1.8960 -1.6216 -1.5813 -1.4104 -1.3988 -0.0591 -0.0514 0.4135 0.4953 0.8053 0.8326 1.1015 1.1634 1.6775 1.6801 2.0362 2.0505 2.3950 2.3976 2.6646 2.6776 3.0094 3.0298 3.3713 3.4445 3.9692 3.9794 4.4769 4.5063 4.5999 4.6066 4.7732 4.7995 5.0607 5.1237 9.2822 9.3560 11.3821 11.5426 12.3153 12.4010 12.4865 12.5513 13.2813 13.3649 k = 0.5276 0.3146-0.0238 ( 3651 PWs) bands (ev): -13.9556 -13.9549 -13.6464 -13.6438 -13.2901 -13.2836 -12.8002 -12.7849 -12.6802 -12.6717 -12.1198 -12.1175 -4.9833 -4.9770 -1.9369 -1.9140 -1.6443 -1.6051 -1.4162 -1.4011 -0.0641 -0.0532 0.4242 0.5080 0.8430 0.8612 1.0955 1.1657 1.6841 1.6876 2.0353 2.0515 2.4092 2.4117 2.6492 2.6630 3.0124 3.0337 3.3435 3.4124 3.9796 3.9883 4.4774 4.5065 4.5977 4.6015 4.7681 4.7973 5.0648 5.1340 9.2776 9.3590 11.3769 11.5537 12.3120 12.4074 12.4897 12.5595 13.2558 13.3428 k = 0.5304 0.3162-0.0113 ( 3655 PWs) bands (ev): -13.9479 -13.9470 -13.6638 -13.6608 -13.2902 -13.2838 -12.7878 -12.7711 -12.6763 -12.6665 -12.1288 -12.1263 -4.9657 -4.9590 -1.9575 -1.9376 -1.6620 -1.6254 -1.4219 -1.4035 -0.0710 -0.0564 0.4372 0.5226 0.8755 0.8854 1.0937 1.1714 1.6909 1.6960 2.0361 2.0543 2.4202 2.4233 2.6340 2.6485 3.0141 3.0369 3.3219 3.3842 3.9859 3.9952 4.4761 4.5036 4.5951 4.5983 4.7633 4.7952 5.0696 5.1448 9.2730 9.3619 11.3722 11.5648 12.3085 12.4143 12.4942 12.5680 13.2293 13.3185 k = 0.5331 0.3178 0.0012 ( 3656 PWs) bands (ev): -13.9396 -13.9386 -13.6823 -13.6789 -13.2892 -13.2830 -12.7771 -12.7592 -12.6704 -12.6595 -12.1386 -12.1359 -4.9472 -4.9401 -1.9820 -1.9665 -1.6747 -1.6414 -1.4273 -1.4059 -0.0795 -0.0612 0.4523 0.5389 0.8978 0.9055 1.0989 1.1813 1.6983 1.7053 2.0387 2.0589 2.4275 2.4320 2.6192 2.6345 3.0132 3.0392 3.3079 3.3612 3.9888 3.9998 4.4724 4.4971 4.5917 4.5976 4.7590 4.7933 5.0754 5.1559 9.2685 9.3646 11.3679 11.5758 12.3047 12.4216 12.5000 12.5767 13.2019 13.2920 k = 0.5359 0.3195 0.0138 ( 3656 PWs) bands (ev): -13.9308 -13.9296 -13.7017 -13.6979 -13.2872 -13.2812 -12.7682 -12.7499 -12.6618 -12.6505 -12.1491 -12.1462 -4.9279 -4.9205 -2.0101 -1.9995 -1.6832 -1.6532 -1.4322 -1.4081 -0.0892 -0.0673 0.4691 0.5564 0.9083 0.9196 1.1128 1.1954 1.7063 1.7153 2.0431 2.0652 2.4308 2.4371 2.6053 2.6215 3.0085 3.0399 3.3026 3.3453 3.9892 4.0020 4.4657 4.4869 4.5887 4.5980 4.7553 4.7918 5.0820 5.1673 9.2640 9.3671 11.3640 11.5867 12.3005 12.4294 12.5074 12.5857 13.1738 13.2635 k = 0.5386 0.3211 0.0263 ( 3659 PWs) bands (ev): -13.9218 -13.9203 -13.7215 -13.7176 -13.2843 -13.2784 -12.7614 -12.7433 -12.6505 -12.6394 -12.1603 -12.1571 -4.9081 -4.9004 -2.0408 -2.0351 -1.6885 -1.6612 -1.4366 -1.4100 -0.1000 -0.0747 0.4871 0.5749 0.9102 0.9249 1.1345 1.2127 1.7150 1.7261 2.0493 2.0732 2.4305 2.4385 2.5925 2.6094 3.0002 3.0380 3.3062 3.3378 3.9875 4.0019 4.4555 4.4731 4.5863 4.5989 4.7525 4.7904 5.0895 5.1788 9.2596 9.3696 11.3603 11.5973 12.2956 12.4377 12.5163 12.5951 13.1450 13.2335 k = 0.5414 0.3228 0.0389 ( 3659 PWs) bands (ev): -13.9127 -13.9108 -13.7414 -13.7374 -13.2805 -13.2747 -12.7566 -12.7393 -12.6369 -12.6265 -12.1721 -12.1687 -4.8879 -4.8800 -2.0732 -2.0718 -1.6916 -1.6659 -1.4401 -1.4114 -0.1116 -0.0831 0.5061 0.5939 0.9054 0.9232 1.1609 1.2318 1.7243 1.7373 2.0573 2.0827 2.4269 2.4363 2.5807 2.5983 2.9892 3.0331 3.3181 3.3399 3.9841 4.0000 4.4414 4.4559 4.5843 4.6003 4.7504 4.7893 5.0978 5.1905 9.2552 9.3719 11.3570 11.6077 12.2898 12.4464 12.5267 12.6048 13.1158 13.2020 k = 0.5441 0.3244 0.0514 ( 3661 PWs) bands (ev): -13.9042 -13.9016 -13.7607 -13.7569 -13.2760 -13.2702 -12.7534 -12.7371 -12.6216 -12.6122 -12.1845 -12.1808 -4.8678 -4.8596 -2.1091 -2.1057 -1.6931 -1.6683 -1.4427 -1.4121 -0.1238 -0.0924 0.5255 0.6130 0.8958 0.9165 1.1886 1.2512 1.7338 1.7482 2.0673 2.0935 2.4211 2.4312 2.5699 2.5877 2.9771 3.0251 3.3369 3.3515 3.9795 3.9965 4.4229 4.4357 4.5827 4.6019 4.7488 4.7882 5.1069 5.2020 9.2509 9.3740 11.3540 11.6178 12.2832 12.4556 12.5387 12.6149 13.0863 13.1693 k = 0.5441 0.3244 0.0514 ( 3661 PWs) bands (ev): -13.9042 -13.9016 -13.7607 -13.7569 -13.2760 -13.2702 -12.7534 -12.7371 -12.6216 -12.6122 -12.1845 -12.1808 -4.8678 -4.8596 -2.1091 -2.1057 -1.6931 -1.6683 -1.4427 -1.4121 -0.1238 -0.0924 0.5255 0.6130 0.8958 0.9165 1.1886 1.2512 1.7338 1.7482 2.0673 2.0935 2.4211 2.4312 2.5699 2.5877 2.9771 3.0251 3.3369 3.3515 3.9795 3.9965 4.4229 4.4357 4.5827 4.6019 4.7488 4.7882 5.1069 5.2020 9.2509 9.3740 11.3540 11.6178 12.2832 12.4556 12.5387 12.6149 13.0863 13.1693 k = 0.5405 0.3222 0.0638 ( 3653 PWs) bands (ev): -13.9006 -13.8981 -13.7562 -13.7531 -13.2804 -13.2740 -12.7589 -12.7436 -12.6068 -12.5981 -12.1997 -12.1959 -4.8547 -4.8470 -2.1290 -2.1251 -1.6959 -1.6706 -1.4492 -1.4170 -0.1291 -0.1010 0.5388 0.6243 0.9062 0.9292 1.2026 1.2603 1.7305 1.7464 2.0647 2.0892 2.4171 2.4296 2.5621 2.5777 2.9673 3.0182 3.3672 3.3775 3.9848 4.0006 4.3965 4.4083 4.5851 4.6091 4.7453 4.7853 5.1257 5.2168 9.2528 9.3662 11.3681 11.6157 12.2931 12.4524 12.5454 12.6225 13.0551 13.1361 k = 0.5368 0.3200 0.0763 ( 3656 PWs) bands (ev): -13.9001 -13.8977 -13.7488 -13.7464 -13.2843 -13.2773 -12.7646 -12.7503 -12.5917 -12.5836 -12.2152 -12.2112 -4.8417 -4.8346 -2.1491 -2.1447 -1.6991 -1.6742 -1.4523 -1.4199 -0.1344 -0.1095 0.5522 0.6349 0.9162 0.9412 1.2142 1.2665 1.7279 1.7449 2.0631 2.0853 2.4083 2.4226 2.5594 2.5723 2.9566 3.0084 3.4020 3.4117 3.9900 4.0045 4.3650 4.3773 4.5888 4.6169 4.7414 4.7818 5.1447 5.2307 9.2547 9.3583 11.3823 11.6125 12.3038 12.4494 12.5527 12.6311 13.0237 13.1021 k = 0.5331 0.3178 0.0887 ( 3661 PWs) bands (ev): -13.9017 -13.8994 -13.7397 -13.7376 -13.2874 -13.2801 -12.7704 -12.7572 -12.5765 -12.5690 -12.2308 -12.2268 -4.8290 -4.8225 -2.1688 -2.1642 -1.7025 -1.6787 -1.4528 -1.4212 -0.1396 -0.1177 0.5657 0.6446 0.9258 0.9522 1.2236 1.2703 1.7259 1.7435 2.0622 2.0818 2.3970 2.4123 2.5600 2.5701 2.9459 2.9967 3.4413 3.4519 3.9951 4.0083 4.3296 4.3431 4.5936 4.6251 4.7369 4.7776 5.1634 5.2434 9.2568 9.3505 11.3966 11.6084 12.3152 12.4464 12.5609 12.6407 12.9924 13.0677 k = 0.5294 0.3157 0.1011 ( 3655 PWs) bands (ev): -13.9046 -13.9024 -13.7298 -13.7279 -13.2900 -13.2825 -12.7760 -12.7640 -12.5613 -12.5543 -12.2465 -12.2424 -4.8169 -4.8110 -2.1877 -2.1831 -1.7057 -1.6837 -1.4513 -1.4215 -0.1445 -0.1254 0.5791 0.6531 0.9350 0.9622 1.2311 1.2721 1.7247 1.7421 2.0615 2.0783 2.3852 2.4010 2.5621 2.5698 2.9357 2.9840 3.4846 3.4962 3.9998 4.0119 4.2911 4.3059 4.5993 4.6336 4.7317 4.7728 5.1817 5.2547 9.2590 9.3427 11.4109 11.6030 12.3273 12.4436 12.5703 12.6513 12.9614 13.0333 k = 0.5258 0.3135 0.1135 ( 3658 PWs) bands (ev): -13.9080 -13.9060 -13.7198 -13.7181 -13.2919 -13.2846 -12.7813 -12.7705 -12.5463 -12.5399 -12.2621 -12.2580 -4.8055 -4.8003 -2.2055 -2.2011 -1.7087 -1.6888 -1.4484 -1.4211 -0.1490 -0.1327 0.5921 0.6602 0.9439 0.9710 1.2371 1.2722 1.7240 1.7408 2.0607 2.0746 2.3746 2.3902 2.5644 2.5702 2.9264 2.9710 3.5312 3.5434 4.0038 4.0151 4.2502 4.2663 4.6055 4.6422 4.7259 4.7673 5.1991 5.2645 9.2615 9.3350 11.4253 11.5966 12.3396 12.4407 12.5810 12.6629 12.9307 12.9991 k = 0.5221 0.3113 0.1260 ( 3666 PWs) bands (ev): -13.9116 -13.9098 -13.7104 -13.7087 -13.2932 -13.2863 -12.7862 -12.7767 -12.5316 -12.5257 -12.2773 -12.2733 -4.7951 -4.7905 -2.2216 -2.2176 -1.7112 -1.6938 -1.4447 -1.4204 -0.1531 -0.1393 0.6047 0.6658 0.9525 0.9785 1.2417 1.2711 1.7238 1.7393 2.0595 2.0707 2.3659 2.3809 2.5663 2.5706 2.9183 2.9584 3.5803 3.5928 4.0069 4.0177 4.2074 4.2248 4.6124 4.6509 4.7195 4.7611 5.2154 5.2726 9.2642 9.3276 11.4397 11.5889 12.3519 12.4377 12.5934 12.6755 12.9003 12.9656 k = 0.5184 0.3091 0.1384 ( 3670 PWs) bands (ev): -13.9149 -13.9134 -13.7018 -13.7002 -13.2940 -13.2877 -12.7904 -12.7823 -12.5175 -12.5121 -12.2918 -12.2880 -4.7858 -4.7820 -2.2359 -2.2324 -1.7132 -1.6985 -1.4405 -1.4197 -0.1565 -0.1453 0.6166 0.6695 0.9606 0.9845 1.2454 1.2693 1.7240 1.7379 2.0579 2.0665 2.3597 2.3735 2.5676 2.5708 2.9119 2.9466 3.6312 3.6437 4.0084 4.0190 4.1637 4.1823 4.6197 4.6594 4.7127 4.7542 5.2304 5.2788 9.2673 9.3203 11.4541 11.5802 12.3639 12.4345 12.6077 12.6890 12.8707 12.9333 k = 0.5147 0.3069 0.1508 ( 3666 PWs) bands (ev): -13.9178 -13.9166 -13.6944 -13.6930 -13.2943 -13.2889 -12.7939 -12.7873 -12.5042 -12.4995 -12.3053 -12.3017 -4.7779 -4.7748 -2.2479 -2.2450 -1.7146 -1.7027 -1.4362 -1.4193 -0.1593 -0.1504 0.6278 0.6715 0.9681 0.9888 1.2484 1.2670 1.7247 1.7363 2.0560 2.0624 2.3558 2.3679 2.5684 2.5707 2.9071 2.9358 3.6832 3.6955 4.0070 4.0177 4.1207 4.1403 4.6275 4.6672 4.7062 4.7468 5.2439 5.2831 9.2708 9.3133 11.4684 11.5705 12.3752 12.4310 12.6241 12.7031 12.8422 12.9025 k = 0.5110 0.3047 0.1633 ( 3674 PWs) bands (ev): -13.9201 -13.9192 -13.6885 -13.6873 -13.2943 -13.2900 -12.7966 -12.7915 -12.4923 -12.4884 -12.3172 -12.3141 -4.7714 -4.7691 -2.2575 -2.2552 -1.7154 -1.7064 -1.4321 -1.4193 -0.1613 -0.1547 0.6380 0.6717 0.9749 0.9915 1.2509 1.2645 1.7257 1.7347 2.0540 2.0585 2.3541 2.3637 2.5686 2.5703 2.9043 2.9262 3.7358 3.7477 3.9995 4.0091 4.0832 4.1022 4.6357 4.6730 4.7012 4.7390 5.2557 5.2853 9.2747 9.3066 11.4825 11.5599 12.3858 12.4270 12.6426 12.7166 12.8160 12.8736 k = 0.5074 0.3025 0.1757 ( 3666 PWs) bands (ev): -13.9218 -13.9212 -13.6840 -13.6832 -13.2939 -13.2909 -12.7983 -12.7949 -12.4824 -12.4795 -12.3266 -12.3243 -4.7666 -4.7651 -2.2643 -2.2628 -1.7155 -1.7095 -1.4284 -1.4198 -0.1625 -0.1581 0.6472 0.6700 0.9809 0.9925 1.2531 1.2621 1.7269 1.7331 2.0524 2.0552 2.3539 2.3606 2.5687 2.5698 2.9033 2.9182 3.7885 3.7995 3.9800 3.9838 4.0611 4.0742 4.6442 4.6737 4.7011 4.7307 5.2656 5.2856 9.2790 9.3003 11.4965 11.5484 12.3952 12.4224 12.6629 12.7261 12.7961 12.8469 k = 0.5037 0.3003 0.1881 ( 3666 PWs) bands (ev): -13.9228 -13.9225 -13.6812 -13.6808 -13.2934 -13.2918 -12.7990 -12.7973 -12.4755 -12.4739 -12.3326 -12.3313 -4.7635 -4.7628 -2.2683 -2.2675 -1.7150 -1.7120 -1.4253 -1.4209 -0.1628 -0.1606 0.6551 0.6666 0.9859 0.9918 1.2553 1.2597 1.7283 1.7315 2.0515 2.0528 2.3548 2.3582 2.5687 2.5692 2.9043 2.9118 3.8403 3.8499 3.9427 3.9462 4.0542 4.0598 4.6528 4.6687 4.7064 4.7223 5.2737 5.2837 9.2837 9.2944 11.5102 11.5362 12.4036 12.4171 12.6846 12.7228 12.7914 12.8231 k = 0.5000 0.2981 0.2006 ( 3666 PWs) bands (ev): -13.9230 -13.9230 -13.6801 -13.6801 -13.2926 -13.2926 -12.7987 -12.7987 -12.4725 -12.4725 -12.3343 -12.3343 -4.7622 -4.7622 -2.2694 -2.2694 -1.7138 -1.7138 -1.4228 -1.4228 -0.1622 -0.1622 0.6616 0.6616 0.9896 0.9896 1.2574 1.2574 1.7299 1.7299 2.0516 2.0516 2.3563 2.3563 2.5689 2.5689 2.9071 2.9071 3.8843 3.8843 3.9089 3.9089 4.0544 4.0544 4.6612 4.6612 4.7140 4.7140 5.2797 5.2797 9.2888 9.2888 11.5234 11.5234 12.4108 12.4108 12.7060 12.7060 12.8032 12.8032 k = 0.5000 0.2981 0.2006 ( 3666 PWs) bands (ev): -13.9230 -13.9230 -13.6801 -13.6801 -13.2926 -13.2926 -12.7987 -12.7987 -12.4725 -12.4725 -12.3343 -12.3343 -4.7622 -4.7622 -2.2694 -2.2694 -1.7138 -1.7138 -1.4228 -1.4228 -0.1622 -0.1622 0.6616 0.6616 0.9896 0.9896 1.2574 1.2574 1.7299 1.7299 2.0516 2.0516 2.3563 2.3563 2.5689 2.5689 2.9071 2.9071 3.8843 3.8843 3.9089 3.9089 4.0544 4.0544 4.6612 4.6612 4.7140 4.7140 5.2797 5.2797 9.2888 9.2888 11.5234 11.5234 12.4108 12.4108 12.7060 12.7060 12.8032 12.8032 k = 0.5068 0.2868 0.2006 ( 3668 PWs) bands (ev): -13.9233 -13.9226 -13.6801 -13.6801 -13.2930 -13.2926 -12.7992 -12.7991 -12.4723 -12.4723 -12.3338 -12.3338 -4.7625 -4.7624 -2.2730 -2.2682 -1.7144 -1.7101 -1.4219 -1.4214 -0.1658 -0.1609 0.6591 0.6594 0.9865 0.9911 1.2524 1.2540 1.7325 1.7332 2.0497 2.0570 2.3562 2.3574 2.5700 2.5706 2.9088 2.9092 3.8795 3.8809 3.9094 3.9097 4.0564 4.0591 4.6602 4.6615 4.7138 4.7138 5.2782 5.2786 9.2822 9.2980 11.5234 11.5236 12.4086 12.4129 12.7039 12.7071 12.7963 12.8087 k = 0.5135 0.2754 0.2006 ( 3664 PWs) bands (ev): -13.9234 -13.9221 -13.6801 -13.6799 -13.2938 -13.2929 -12.8006 -12.8004 -12.4717 -12.4716 -12.3323 -12.3322 -4.7631 -4.7630 -2.2788 -2.2694 -1.7118 -1.7034 -1.4189 -1.4180 -0.1718 -0.1620 0.6520 0.6524 0.9819 0.9910 1.2394 1.2426 1.7407 1.7420 2.0515 2.0657 2.3573 2.3596 2.5741 2.5752 2.9143 2.9150 3.8677 3.8701 3.9115 3.9118 4.0645 4.0695 4.6584 4.6610 4.7131 4.7131 5.2740 5.2748 9.2780 9.3096 11.5234 11.5239 12.4062 12.4148 12.7008 12.7072 12.7881 12.8129 k = 0.5203 0.2641 0.2006 ( 3670 PWs) bands (ev): -13.9234 -13.9215 -13.6799 -13.6797 -13.2948 -13.2936 -12.8029 -12.8026 -12.4707 -12.4706 -12.3299 -12.3297 -4.7640 -4.7639 -2.2867 -2.2730 -1.7060 -1.6939 -1.4137 -1.4124 -0.1801 -0.1654 0.6402 0.6408 0.9760 0.9894 1.2197 1.2242 1.7534 1.7551 2.0567 2.0774 2.3596 2.3628 2.5810 2.5826 2.9236 2.9246 3.8506 3.8537 3.9149 3.9152 4.0771 4.0836 4.6559 4.6598 4.7120 4.7121 5.2673 5.2684 9.2762 9.3238 11.5234 11.5244 12.4034 12.4167 12.6967 12.7059 12.7787 12.8160 k = 0.5271 0.2527 0.2006 ( 3670 PWs) bands (ev): -13.9234 -13.9208 -13.6798 -13.6795 -13.2962 -13.2946 -12.8060 -12.8056 -12.4692 -12.4692 -12.3265 -12.3263 -4.7654 -4.7652 -2.2964 -2.2789 -1.6972 -1.6819 -1.4066 -1.4048 -0.1904 -0.1711 0.6242 0.6249 0.9689 0.9863 1.1946 1.2003 1.7689 1.7709 2.0652 2.0916 2.3632 2.3670 2.5905 2.5926 2.9366 2.9379 3.8301 3.8334 3.9198 3.9199 4.0924 4.1000 4.6526 4.6579 4.7105 4.7106 5.2580 5.2594 9.2768 9.3403 11.5235 11.5251 12.4003 12.4186 12.6915 12.7029 12.7687 12.8182 k = 0.5338 0.2414 0.2006 ( 3664 PWs) bands (ev): -13.9232 -13.9201 -13.6796 -13.6792 -13.2979 -13.2959 -12.8099 -12.8094 -12.4674 -12.4673 -12.3223 -12.3220 -4.7669 -4.7668 -2.3078 -2.2868 -1.6858 -1.6677 -1.3974 -1.3953 -0.2027 -0.1789 0.6041 0.6048 0.9609 0.9819 1.1657 1.1723 1.7857 1.7880 2.0768 2.1079 2.3685 2.3721 2.6027 2.6051 2.9534 2.9549 3.8071 3.8103 3.9259 3.9260 4.1092 4.1176 4.6486 4.6553 4.7085 4.7087 5.2462 5.2480 9.2797 9.3592 11.5237 11.5261 12.3969 12.4206 12.6850 12.6973 12.7589 12.8197 k = 0.5406 0.2300 0.2006 ( 3662 PWs) bands (ev): -13.9231 -13.9193 -13.6794 -13.6789 -13.2998 -13.2975 -12.8144 -12.8139 -12.4651 -12.4650 -12.3172 -12.3168 -4.7688 -4.7686 -2.3205 -2.2966 -1.6718 -1.6516 -1.3864 -1.3839 -0.2167 -0.1886 0.5804 0.5809 0.9521 0.9763 1.1340 1.1414 1.8027 1.8051 2.0910 2.1255 2.3755 2.3783 2.6173 2.6200 2.9739 2.9756 3.7826 3.7855 3.9333 3.9334 4.1267 4.1356 4.6438 4.6520 4.7060 4.7065 5.2322 5.2342 9.2847 9.3804 11.5239 11.5275 12.3930 12.4227 12.6772 12.6885 12.7501 12.8208 k = 0.5474 0.2187 0.2006 ( 3662 PWs) bands (ev): -13.9229 -13.9186 -13.6792 -13.6787 -13.3019 -13.2993 -12.8196 -12.8190 -12.4624 -12.4624 -12.3113 -12.3109 -4.7708 -4.7705 -2.3344 -2.3081 -1.6557 -1.6339 -1.3737 -1.3709 -0.2321 -0.2000 0.5533 0.5537 0.9429 0.9698 1.1006 1.1087 1.8187 1.8211 2.1073 2.1437 2.3847 2.3855 2.6341 2.6369 2.9979 2.9997 3.7569 3.7594 3.9418 3.9421 4.1444 4.1537 4.6382 4.6480 4.7031 4.7039 5.2159 5.2182 9.2917 9.4037 11.5242 11.5294 12.3886 12.4250 12.6681 12.6761 12.7429 12.8217 k = 0.5541 0.2073 0.2006 ( 3662 PWs) bands (ev): -13.9229 -13.9180 -13.6791 -13.6785 -13.3041 -13.3012 -12.8252 -12.8246 -12.4593 -12.4593 -12.3048 -12.3043 -4.7728 -4.7726 -2.3492 -2.3209 -1.6378 -1.6150 -1.3594 -1.3563 -0.2486 -0.2129 0.5235 0.5236 0.9334 0.9625 1.0661 1.0747 1.8330 1.8354 2.1253 2.1618 2.3938 2.3962 2.6529 2.6558 3.0252 3.0271 3.7305 3.7326 3.9516 3.9519 4.1621 4.1716 4.6319 4.6433 4.6997 4.7008 5.1976 5.2002 9.3005 9.4289 11.5246 11.5317 12.3836 12.4273 12.6580 12.6603 12.7373 12.8226 k = 0.5609 0.1960 0.2006 ( 3668 PWs) bands (ev): -13.9229 -13.9175 -13.6791 -13.6784 -13.3063 -13.3032 -12.8313 -12.8306 -12.4558 -12.4558 -12.2976 -12.2971 -4.7750 -4.7746 -2.3649 -2.3350 -1.6183 -1.5951 -1.3438 -1.3405 -0.2661 -0.2270 0.4912 0.4912 0.9237 0.9546 1.0311 1.0401 1.8451 1.8475 2.1443 2.1788 2.4034 2.4104 2.6735 2.6764 3.0556 3.0576 3.7037 3.7053 3.9625 3.9629 4.1795 4.1892 4.6248 4.6380 4.6957 4.6973 5.1775 5.1802 9.3110 9.4559 11.5252 11.5347 12.3780 12.4296 12.6420 12.6468 12.7327 12.8236 k = 0.5677 0.1846 0.2006 ( 3662 PWs) bands (ev): -13.9232 -13.9172 -13.6792 -13.6785 -13.3086 -13.3053 -12.8376 -12.8369 -12.4518 -12.4518 -12.2899 -12.2893 -4.7769 -4.7766 -2.3813 -2.3501 -1.5977 -1.5746 -1.3271 -1.3236 -0.2840 -0.2419 0.4568 0.4570 0.9141 0.9462 0.9961 1.0055 1.8546 1.8570 2.1636 2.1942 2.4142 2.4275 2.6956 2.6984 3.0888 3.0909 3.6767 3.6778 3.9744 3.9749 4.1966 4.2064 4.6171 4.6321 4.6913 4.6934 5.1557 5.1586 9.3229 9.4845 11.5259 11.5382 12.3716 12.4317 12.6221 12.6351 12.7287 12.8248 k = 0.5744 0.1733 0.2006 ( 3660 PWs) bands (ev): -13.9238 -13.9173 -13.6795 -13.6787 -13.3107 -13.3073 -12.8442 -12.8434 -12.4475 -12.4474 -12.2816 -12.2810 -4.7788 -4.7784 -2.3982 -2.3660 -1.5762 -1.5537 -1.3095 -1.3058 -0.3022 -0.2573 0.4211 0.4215 0.9045 0.9369 0.9615 0.9716 1.8614 1.8638 2.1827 2.2073 2.4265 2.4475 2.7191 2.7218 3.1244 3.1265 3.6497 3.6505 3.9873 3.9879 4.2132 4.2231 4.6087 4.6256 4.6864 4.6891 5.1326 5.1356 9.3361 9.5145 11.5269 11.5425 12.3644 12.4331 12.6018 12.6229 12.7250 12.8264 k = 0.5812 0.1619 0.2006 ( 3666 PWs) bands (ev): -13.9247 -13.9178 -13.6801 -13.6792 -13.3126 -13.3091 -12.8508 -12.8499 -12.4428 -12.4425 -12.2730 -12.2723 -4.7803 -4.7799 -2.4156 -2.3828 -1.5542 -1.5328 -1.2912 -1.2874 -0.3201 -0.2729 0.3846 0.3850 0.8942 0.9232 0.9283 0.9425 1.8655 1.8678 2.2009 2.2180 2.4402 2.4701 2.7437 2.7462 3.1619 3.1640 3.6231 3.6236 4.0011 4.0017 4.2293 4.2392 4.5996 4.6184 4.6808 4.6843 5.1084 5.1114 9.3503 9.5456 11.5281 11.5474 12.3561 12.4333 12.5820 12.6109 12.7214 12.8284 k = 0.5879 0.1506 0.2006 ( 3666 PWs) bands (ev): -13.9261 -13.9188 -13.6809 -13.6800 -13.3143 -13.3107 -12.8574 -12.8565 -12.4376 -12.4372 -12.2639 -12.2632 -4.7815 -4.7810 -2.4334 -2.4001 -1.5318 -1.5121 -1.2726 -1.2688 -0.3375 -0.2883 0.3476 0.3482 0.8789 0.8958 0.9013 0.9278 1.8668 1.8691 2.2177 2.2260 2.4555 2.4949 2.7692 2.7716 3.2009 3.2030 3.5971 3.5974 4.0156 4.0162 4.2448 4.2547 4.5899 4.6108 4.6748 4.6790 5.0834 5.0864 9.3652 9.5776 11.5295 11.5531 12.3469 12.4312 12.5640 12.5992 12.7180 12.8308 k = 0.5947 0.1392 0.2006 ( 3662 PWs) bands (ev): -13.9280 -13.9203 -13.6821 -13.6811 -13.3155 -13.3120 -12.8639 -12.8629 -12.4320 -12.4315 -12.2546 -12.2538 -4.7822 -4.7816 -2.4516 -2.4181 -1.5095 -1.4918 -1.2539 -1.2502 -0.3540 -0.3032 0.3108 0.3113 0.8517 0.8633 0.8874 0.9192 1.8655 1.8677 2.2316 2.2325 2.4722 2.5213 2.7955 2.7977 3.2408 3.2430 3.5719 3.5722 4.0306 4.0313 4.2597 4.2696 4.5798 4.6027 4.6681 4.6732 5.0579 5.0608 9.3807 9.6102 11.5312 11.5595 12.3365 12.4258 12.5494 12.5883 12.7147 12.8336 k = 0.6015 0.1279 0.2006 ( 3664 PWs) bands (ev): -13.9305 -13.9226 -13.6838 -13.6827 -13.3162 -13.3128 -12.8701 -12.8691 -12.4261 -12.4254 -12.2450 -12.2442 -4.7823 -4.7817 -2.4701 -2.4365 -1.4874 -1.4723 -1.2355 -1.2318 -0.3693 -0.3172 0.2744 0.2749 0.8203 0.8306 0.8795 0.9122 1.8617 1.8638 2.2347 2.2451 2.4901 2.5488 2.8223 2.8244 3.2813 3.2835 3.5480 3.5482 4.0461 4.0468 4.2738 4.2838 4.5691 4.5941 4.6609 4.6670 5.0322 5.0351 9.3965 9.6431 11.5331 11.5666 12.3251 12.4162 12.5393 12.5784 12.7116 12.8370 k = 0.6082 0.1166 0.2006 ( 3660 PWs) bands (ev): -13.9338 -13.9256 -13.6859 -13.6847 -13.3163 -13.3131 -12.8760 -12.8750 -12.4197 -12.4188 -12.2352 -12.2343 -4.7817 -4.7811 -2.4889 -2.4554 -1.4658 -1.4538 -1.2177 -1.2142 -0.3829 -0.3300 0.2389 0.2394 0.7888 0.7986 0.8735 0.9063 1.8556 1.8576 2.2355 2.2554 2.5089 2.5766 2.8496 2.8515 3.3217 3.3239 3.5254 3.5259 4.0618 4.0625 4.2873 4.2973 4.5581 4.5851 4.6532 4.6602 5.0068 5.0096 9.4124 9.6759 11.5351 11.5742 12.3129 12.4025 12.5339 12.5697 12.7090 12.8410 k = 0.6150 0.1052 0.2006 ( 3654 PWs) bands (ev): -13.9379 -13.9295 -13.6885 -13.6873 -13.3157 -13.3127 -12.8815 -12.8805 -12.4129 -12.4119 -12.2252 -12.2242 -4.7804 -4.7797 -2.5080 -2.4747 -1.4451 -1.4366 -1.2009 -1.1974 -0.3945 -0.3412 0.2047 0.2051 0.7581 0.7676 0.8689 0.9013 1.8473 1.8492 2.2341 2.2631 2.5282 2.6043 2.8772 2.8788 3.3615 3.3638 3.5047 3.5055 4.0775 4.0782 4.3000 4.3100 4.5468 4.5758 4.6450 4.6531 4.9819 4.9846 9.4280 9.7085 11.5372 11.5823 12.3001 12.3858 12.5323 12.5625 12.7069 12.8454 k = 0.6218 0.0939 0.2006 ( 3658 PWs) bands (ev): -13.9428 -13.9344 -13.6917 -13.6905 -13.3143 -13.3116 -12.8864 -12.8854 -12.4058 -12.4046 -12.2150 -12.2141 -4.7782 -4.7775 -2.5274 -2.4944 -1.4253 -1.4208 -1.1853 -1.1820 -0.4039 -0.3505 0.1718 0.1721 0.7286 0.7378 0.8654 0.8973 1.8370 1.8388 2.2304 2.2684 2.5474 2.6313 2.9048 2.9062 3.4002 3.4025 3.4862 3.4874 4.0928 4.0935 4.3118 4.3220 4.5355 4.5664 4.6365 4.6456 4.9579 4.9604 9.4431 9.7404 11.5391 11.5905 12.2871 12.3676 12.5333 12.5568 12.7055 12.8504 k = 0.6285 0.0825 0.2006 ( 3664 PWs) bands (ev): -13.9487 -13.9402 -13.6957 -13.6943 -13.3120 -13.3097 -12.8908 -12.8898 -12.3983 -12.3968 -12.2048 -12.2038 -4.7751 -4.7743 -2.5471 -2.5145 -1.4068 -1.4067 -1.1713 -1.1683 -0.4107 -0.3577 0.1407 0.1409 0.7006 0.7096 0.8632 0.8944 1.8249 1.8265 2.2247 2.2713 2.5660 2.6572 2.9323 2.9335 3.4369 3.4389 3.4709 3.4724 4.1076 4.1082 4.3227 4.3330 4.5242 4.5567 4.6279 4.6380 4.9352 4.9375 9.4576 9.7712 11.5408 11.5988 12.2745 12.3494 12.5359 12.5525 12.7049 12.8559 k = 0.6353 0.0712 0.2006 ( 3664 PWs) bands (ev): -13.9557 -13.9472 -13.7003 -13.6989 -13.3088 -13.3069 -12.8945 -12.8934 -12.3905 -12.3887 -12.1945 -12.1934 -4.7709 -4.7701 -2.5671 -2.5348 -1.3943 -1.3898 -1.1592 -1.1564 -0.4148 -0.3625 0.1114 0.1115 0.6744 0.6831 0.8622 0.8926 1.8111 1.8126 2.2168 2.2719 2.5836 2.6816 2.9596 2.9605 3.4533 3.4561 3.4756 3.4783 4.1213 4.1219 4.3325 4.3431 4.5133 4.5471 4.6196 4.6306 4.9139 4.9161 9.4712 9.8008 11.5420 11.6066 12.2628 12.3323 12.5393 12.5498 12.7053 12.8617 k = 0.6421 0.0598 0.2006 ( 3672 PWs) bands (ev): -13.9637 -13.9552 -13.7057 -13.7042 -13.3045 -13.3031 -12.8974 -12.8964 -12.3823 -12.3803 -12.1841 -12.1830 -4.7657 -4.7648 -2.5873 -2.5555 -1.3839 -1.3743 -1.1493 -1.1466 -0.4160 -0.3648 0.0839 0.0840 0.6502 0.6587 0.8625 0.8921 1.7959 1.7972 2.2067 2.2701 2.5998 2.7041 2.9865 2.9871 3.4439 3.4477 3.5068 3.5099 4.1336 4.1342 4.3412 4.3521 4.5029 4.5374 4.6121 4.6236 4.8943 4.8963 9.4836 9.8286 11.5424 11.6138 12.2526 12.3170 12.5432 12.5486 12.7067 12.8679 k = 0.6488 0.0485 0.2006 ( 3666 PWs) bands (ev): -13.9727 -13.9644 -13.7118 -13.7103 -13.2992 -13.2984 -12.8996 -12.8985 -12.3737 -12.3715 -12.1737 -12.1726 -4.7592 -4.7583 -2.6077 -2.5764 -1.3753 -1.3605 -1.1417 -1.1392 -0.4142 -0.3643 0.0582 0.0585 0.6284 0.6367 0.8641 0.8928 1.7794 1.7805 2.1945 2.2662 2.6143 2.7246 3.0128 3.0131 3.4365 3.4413 3.5365 3.5397 4.1442 4.1448 4.3486 4.3600 4.4932 4.5277 4.6061 4.6177 4.8765 4.8783 9.4948 9.8545 11.5417 11.6197 12.2445 12.3044 12.5473 12.5489 12.7093 12.8743 k = 0.6556 0.0371 0.2006 ( 3660 PWs) bands (ev): -13.9829 -13.9747 -13.7188 -13.7172 -13.2929 -13.2927 -12.9009 -12.8998 -12.3649 -12.3624 -12.1634 -12.1622 -4.7516 -4.7507 -2.6283 -2.5976 -1.3686 -1.3484 -1.1366 -1.1343 -0.4094 -0.3611 0.0343 0.0346 0.6091 0.6172 0.8670 0.8949 1.7617 1.7627 2.1803 2.2600 2.6268 2.7428 3.0384 3.0384 3.4321 3.4379 3.5629 3.5664 4.1527 4.1534 4.3546 4.3667 4.4844 4.5179 4.6024 4.6134 4.8605 4.8621 9.5045 9.8781 11.5398 11.6240 12.2394 12.2950 12.5507 12.5515 12.7129 12.8807 k = 0.6624 0.0258 0.2006 ( 3662 PWs) bands (ev): -13.9941 -13.9861 -13.7267 -13.7250 -13.2859 -13.2855 -12.9013 -12.9002 -12.3558 -12.3530 -12.1530 -12.1518 -4.7427 -4.7417 -2.6492 -2.6190 -1.3638 -1.3380 -1.1341 -1.1319 -0.4018 -0.3553 0.0118 0.0123 0.5928 0.6007 0.8714 0.8983 1.7431 1.7439 2.1640 2.2518 2.6373 2.7588 3.0626 3.0631 3.4308 3.4376 3.5855 3.5893 4.1591 4.1599 4.3590 4.3719 4.4765 4.5081 4.6016 4.6113 4.8463 4.8477 9.5125 9.8992 11.5362 11.6261 12.2375 12.2894 12.5539 12.5557 12.7176 12.8871 k = 0.6691 0.0144 0.2006 ( 3670 PWs) bands (ev): -14.0064 -13.9986 -13.7354 -13.7337 -13.2781 -13.2770 -12.9007 -12.8997 -12.3464 -12.3433 -12.1428 -12.1415 -4.7325 -4.7315 -2.6703 -2.6406 -1.3606 -1.3294 -1.1341 -1.1320 -0.3914 -0.3467 -0.0093 -0.0088 0.5795 0.5872 0.8771 0.9031 1.7237 1.7242 2.1457 2.2414 2.6458 2.7725 3.0856 3.0866 3.4326 3.4405 3.6041 3.6081 4.1635 4.1643 4.3615 4.3753 4.4693 4.4982 4.6041 4.6121 4.8338 4.8350 9.5189 9.9174 11.5307 11.6257 12.2396 12.2877 12.5585 12.5600 12.7233 12.8931 k = 0.6759 0.0031 0.2006 ( 3670 PWs) bands (ev): -14.0197 -14.0122 -13.7450 -13.7432 -13.2693 -13.2675 -12.8993 -12.8982 -12.3368 -12.3333 -12.1325 -12.1313 -4.7209 -4.7198 -2.6915 -2.6623 -1.3589 -1.3223 -1.1365 -1.1345 -0.3786 -0.3357 -0.0295 -0.0288 0.5694 0.5770 0.8843 0.9094 1.7038 1.7040 2.1256 2.2291 2.6523 2.7841 3.1071 3.1088 3.4373 3.4462 3.6184 3.6227 4.1661 4.1670 4.3618 4.3767 4.4629 4.4886 4.6100 4.6161 4.8230 4.8239 9.5234 9.9327 11.5232 11.6227 12.2457 12.2902 12.5644 12.5645 12.7299 12.8988 k = 0.6827-0.0083 0.2006 ( 3672 PWs) bands (ev): -14.0340 -14.0267 -13.7555 -13.7536 -13.2595 -13.2570 -12.8969 -12.8958 -12.3269 -12.3231 -12.1224 -12.1211 -4.7079 -4.7068 -2.7128 -2.6842 -1.3586 -1.3167 -1.1411 -1.1393 -0.3636 -0.3225 -0.0489 -0.0482 0.5628 0.5702 0.8930 0.9171 1.6834 1.6834 2.1037 2.2150 2.6570 2.7938 3.1269 3.1293 3.4446 3.4545 3.6282 3.6328 4.1675 4.1685 4.3597 4.3758 4.4572 4.4796 4.6193 4.6232 4.8138 4.8144 9.5260 9.9448 11.5137 11.6168 12.2560 12.2967 12.5691 12.5719 12.7374 12.9039 k = 0.3173-0.5323 0.3498 ( 3672 PWs) bands (ev): -14.0340 -14.0267 -13.7555 -13.7536 -13.2595 -13.2570 -12.8969 -12.8958 -12.3269 -12.3231 -12.1224 -12.1211 -4.7079 -4.7068 -2.7128 -2.6842 -1.3586 -1.3167 -1.1411 -1.1393 -0.3636 -0.3225 -0.0489 -0.0482 0.5628 0.5702 0.8930 0.9171 1.6834 1.6834 2.1037 2.2150 2.6570 2.7938 3.1269 3.1293 3.4446 3.4545 3.6282 3.6328 4.1675 4.1685 4.3597 4.3758 4.4572 4.4796 4.6193 4.6232 4.8138 4.8144 9.5260 9.9448 11.5137 11.6168 12.2560 12.2967 12.5691 12.5719 12.7374 12.9039 k = 0.3104-0.5207 0.3498 ( 3672 PWs) bands (ev): -14.0495 -14.0426 -13.7670 -13.7651 -13.2486 -13.2454 -12.8935 -12.8925 -12.3166 -12.3125 -12.1122 -12.1109 -4.6932 -4.6921 -2.7346 -2.7065 -1.3593 -1.3123 -1.1479 -1.1462 -0.3464 -0.3071 -0.0681 -0.0674 0.5594 0.5666 0.9034 0.9264 1.6621 1.6624 2.0798 2.1987 2.6602 2.8018 3.1450 3.1482 3.4545 3.4653 3.6338 3.6386 4.1682 4.1691 4.3549 4.3720 4.4522 4.4715 4.6316 4.6335 4.8060 4.8062 9.5267 9.9538 11.5020 11.6080 12.2706 12.3071 12.5743 12.5808 12.7461 12.9085 k = 0.3035-0.5091 0.3498 ( 3664 PWs) bands (ev): -14.0660 -14.0592 -13.7794 -13.7774 -13.2367 -13.2328 -12.8892 -12.8882 -12.3061 -12.3017 -12.1021 -12.1007 -4.6770 -4.6758 -2.7565 -2.7289 -1.3610 -1.3090 -1.1564 -1.1549 -0.3277 -0.2900 -0.0869 -0.0861 0.5593 0.5664 0.9152 0.9373 1.6409 1.6415 2.0545 2.1809 2.6619 2.8083 3.1604 3.1648 3.4664 3.4779 3.6353 3.6402 4.1687 4.1695 4.3474 4.3652 4.4480 4.4645 4.6461 4.6461 4.7995 4.7998 9.5254 9.9594 11.4883 11.5965 12.2890 12.3209 12.5800 12.5909 12.7560 12.9122 k = 0.2966-0.4975 0.3498 ( 3662 PWs) bands (ev): -14.0832 -14.0768 -13.7926 -13.7906 -13.2240 -13.2194 -12.8840 -12.8829 -12.2955 -12.2908 -12.0921 -12.0907 -4.6593 -4.6581 -2.7784 -2.7512 -1.3635 -1.3068 -1.1665 -1.1652 -0.3082 -0.2721 -0.1050 -0.1044 0.5623 0.5692 0.9287 0.9497 1.6199 1.6209 2.0279 2.1615 2.6624 2.8134 3.1729 3.1786 3.4800 3.4922 3.6334 3.6382 4.1692 4.1700 4.3373 4.3555 4.4442 4.4588 4.6602 4.6620 4.7945 4.7955 9.5221 9.9614 11.4730 11.5828 12.3105 12.3370 12.5864 12.6021 12.7670 12.9151 k = 0.2897-0.4860 0.3498 ( 3670 PWs) bands (ev): -14.1012 -14.0950 -13.8065 -13.8045 -13.2105 -13.2052 -12.8779 -12.8768 -12.2847 -12.2797 -12.0823 -12.0809 -4.6401 -4.6390 -2.8002 -2.7735 -1.3664 -1.3053 -1.1776 -1.1766 -0.2886 -0.2544 -0.1219 -0.1218 0.5679 0.5747 0.9436 0.9636 1.5994 1.6009 2.0003 2.1409 2.6619 2.8174 3.1819 3.1891 3.4948 3.5075 3.6287 3.6333 4.1700 4.1708 4.3251 4.3434 4.4408 4.4539 4.6747 4.6782 4.7915 4.7933 9.5168 9.9600 11.4563 11.5672 12.3345 12.3543 12.5940 12.6143 12.7796 12.9171 k = 0.2828-0.4744 0.3498 ( 3668 PWs) bands (ev): -14.1198 -14.1139 -13.8212 -13.8191 -13.1963 -13.1903 -12.8709 -12.8699 -12.2738 -12.2684 -12.0726 -12.0712 -4.6194 -4.6183 -2.8219 -2.7956 -1.3697 -1.3044 -1.1896 -1.1888 -0.2703 -0.2388 -0.1371 -0.1356 0.5757 0.5823 0.9600 0.9789 1.5798 1.5817 1.9719 2.1193 2.6606 2.8206 3.1869 3.1960 3.5103 3.5235 3.6223 3.6266 4.1712 4.1720 4.3112 4.3292 4.4373 4.4494 4.6883 4.6935 4.7914 4.7940 9.5096 9.9552 11.4385 11.5501 12.3603 12.3715 12.6030 12.6272 12.7938 12.9186 k = 0.2759-0.4628 0.3498 ( 3666 PWs) bands (ev): -14.1390 -14.1334 -13.8365 -13.8344 -13.1814 -13.1747 -12.8632 -12.8622 -12.2628 -12.2571 -12.0632 -12.0617 -4.5973 -4.5961 -2.8434 -2.8176 -1.3732 -1.3040 -1.2021 -1.2016 -0.2560 -0.2296 -0.1481 -0.1425 0.5850 0.5914 0.9779 0.9957 1.5614 1.5639 1.9430 2.0968 2.6585 2.8230 3.1875 3.1986 3.5261 3.5398 3.6152 3.6192 4.1726 4.1735 4.2959 4.3135 4.4335 4.4449 4.6996 4.7061 4.7951 4.7984 9.5006 9.9470 11.4200 11.5319 12.3869 12.3871 12.6140 12.6403 12.8101 12.9197 k = 0.2690-0.4513 0.3498 ( 3662 PWs) bands (ev): -14.1587 -14.1534 -13.8524 -13.8503 -13.1659 -13.1586 -12.8548 -12.8538 -12.2517 -12.2457 -12.0538 -12.0524 -4.5737 -4.5725 -2.8647 -2.8392 -1.3767 -1.3039 -1.2149 -1.2147 -0.2500 -0.2313 -0.1506 -0.1380 0.5952 0.6014 0.9973 1.0138 1.5445 1.5477 1.9137 2.0736 2.6560 2.8249 3.1834 3.1966 3.5415 3.5558 3.6084 3.6122 4.1740 4.1752 4.2797 4.2965 4.4293 4.4402 4.7076 4.7148 4.8035 4.8071 9.4898 9.9357 11.4011 11.5131 12.3995 12.4135 12.6273 12.6532 12.8287 12.9210 k = 0.2621-0.4397 0.3498 ( 3662 PWs) bands (ev): -14.1788 -14.1738 -13.8688 -13.8667 -13.1498 -13.1420 -12.8457 -12.8446 -12.2406 -12.2343 -12.0447 -12.0433 -4.5487 -4.5475 -2.8856 -2.8606 -1.3802 -1.3039 -1.2278 -1.2276 -0.2545 -0.2428 -0.1425 -0.1235 0.6056 0.6117 1.0180 1.0333 1.5295 1.5334 1.8843 2.0501 2.6529 2.8262 3.1744 3.1898 3.5554 3.5700 3.6038 3.6072 4.1752 4.1770 4.2629 4.2786 4.4243 4.4350 4.7121 4.7194 4.8164 4.8197 9.4774 9.9214 11.3820 11.4939 12.4079 12.4392 12.6430 12.6654 12.8498 12.9232 k = 0.2552-0.4281 0.3498 ( 3670 PWs) bands (ev): -14.1993 -14.1945 -13.8857 -13.8836 -13.1333 -13.1249 -12.8360 -12.8349 -12.2295 -12.2229 -12.0358 -12.0343 -4.5224 -4.5212 -2.9062 -2.8816 -1.3835 -1.3041 -1.2408 -1.2401 -0.2669 -0.2593 -0.1263 -0.1038 0.6156 0.6215 1.0400 1.0540 1.5168 1.5216 1.8551 2.0263 2.6494 2.8271 3.1605 3.1781 3.5655 3.5784 3.6054 3.6067 4.1759 4.1789 4.2459 4.2599 4.4187 4.4292 4.7138 4.7208 4.8325 4.8352 9.4634 9.9043 11.3631 11.4746 12.4116 12.4631 12.6607 12.6761 12.8734 12.9270 k = 0.2484-0.4165 0.3498 ( 3670 PWs) bands (ev): -14.2200 -14.2155 -13.9030 -13.9008 -13.1165 -13.1075 -12.8257 -12.8247 -12.2184 -12.2115 -12.0271 -12.0256 -4.4947 -4.4935 -2.9264 -2.9021 -1.3867 -1.3043 -1.2532 -1.2521 -0.2835 -0.2781 -0.1060 -0.0817 0.6244 0.6301 1.0633 1.0760 1.5065 1.5127 1.8263 2.0026 2.6455 2.8276 3.1421 3.1618 3.5694 3.5785 3.6129 3.6156 4.1754 4.1807 4.2297 4.2408 4.4123 4.4228 4.7138 4.7204 4.8504 4.8524 9.4479 9.8845 11.3445 11.4555 12.4108 12.4839 12.6797 12.6849 12.8995 12.9335 k = 0.2415-0.4050 0.3498 ( 3662 PWs) bands (ev): -14.2410 -14.2366 -13.9206 -13.9185 -13.0992 -13.0897 -12.8149 -12.8139 -12.2073 -12.2001 -12.0186 -12.0171 -4.4657 -4.4645 -2.9461 -2.9222 -1.3896 -1.3045 -1.2651 -1.2635 -0.3019 -0.2978 -0.0839 -0.0586 0.6314 0.6371 1.0879 1.0991 1.4991 1.5069 1.7982 1.9789 2.6411 2.8278 3.1195 3.1414 3.5686 3.5750 3.6239 3.6292 4.1722 4.1824 4.2157 4.2215 4.4050 4.4156 4.7125 4.7188 4.8691 4.8705 9.4312 9.8622 11.3266 11.4368 12.4058 12.5006 12.6919 12.6991 12.9278 12.9430 k = 0.2346-0.3934 0.3498 ( 3658 PWs) bands (ev): -14.2620 -14.2579 -13.9385 -13.9363 -13.0817 -13.0718 -12.8037 -12.8027 -12.1962 -12.1888 -12.0103 -12.0088 -4.4355 -4.4344 -2.9653 -2.9417 -1.3922 -1.3048 -1.2762 -1.2743 -0.3211 -0.3178 -0.0609 -0.0350 0.6363 0.6418 1.1135 1.1233 1.4946 1.5046 1.7711 1.9557 2.6362 2.8274 3.0934 3.1173 3.5656 3.5704 3.6368 3.6432 4.1644 4.1835 4.2025 4.2062 4.3971 4.4077 4.7107 4.7166 4.8879 4.8887 9.4132 9.8377 11.3093 11.4187 12.3972 12.5119 12.6976 12.7183 12.9559 12.9576 k = 0.2277-0.3818 0.3498 ( 3654 PWs) bands (ev): -14.2831 -14.2792 -13.9566 -13.9544 -13.0640 -13.0536 -12.7922 -12.7912 -12.1852 -12.1775 -12.0022 -12.0007 -4.4042 -4.4031 -2.9839 -2.9607 -1.3945 -1.3054 -1.2860 -1.2842 -0.3405 -0.3378 -0.0378 -0.0115 0.6384 0.6438 1.1402 1.1484 1.4929 1.5060 1.7456 1.9329 2.6308 2.8266 3.0643 3.0902 3.5613 3.5651 3.6497 3.6565 4.1514 4.1785 4.1896 4.2019 4.3883 4.3991 4.7085 4.7142 4.9062 4.9066 9.3941 9.8111 11.2930 11.4013 12.3854 12.5165 12.7031 12.7366 12.9718 12.9884 k = 0.2208-0.3703 0.3498 ( 3648 PWs) bands (ev): -14.3042 -14.3005 -13.9748 -13.9727 -13.0462 -13.0354 -12.7803 -12.7793 -12.1744 -12.1664 -11.9943 -11.9929 -4.3718 -4.3707 -3.0019 -2.9790 -1.3965 -1.3073 -1.2935 -1.2932 -0.3597 -0.3574 -0.0147 0.0118 0.6377 0.6431 1.1679 1.1744 1.4937 1.5111 1.7221 1.9107 2.6247 2.8252 3.0327 3.0606 3.5560 3.5587 3.6619 3.6688 4.1355 4.1610 4.1895 4.2009 4.3789 4.3899 4.7062 4.7117 4.9240 4.9240 9.3739 9.7826 11.2777 11.3849 12.3710 12.5138 12.7095 12.7539 12.9899 13.0192 k = 0.2139-0.3587 0.3498 ( 3648 PWs) bands (ev): -14.3252 -14.3217 -13.9930 -13.9910 -13.0283 -13.0171 -12.7682 -12.7672 -12.1636 -12.1555 -11.9867 -11.9853 -4.3384 -4.3373 -3.0192 -2.9967 -1.3981 -1.3121 -1.3013 -1.2972 -0.3785 -0.3764 0.0080 0.0348 0.6340 0.6393 1.1963 1.2011 1.4964 1.5199 1.7014 1.8894 2.6177 2.8230 2.9992 3.0293 3.5494 3.5511 3.6729 3.6798 4.1187 4.1424 4.1913 4.2015 4.3689 4.3801 4.7040 4.7093 4.9405 4.9408 9.3529 9.7525 11.2635 11.3694 12.3545 12.5039 12.7173 12.7698 13.0095 13.0494 k = 0.2070-0.3471 0.3498 ( 3652 PWs) bands (ev): -14.3461 -14.3427 -14.0113 -14.0093 -13.0103 -12.9989 -12.7559 -12.7549 -12.1530 -12.1446 -11.9793 -11.9779 -4.3041 -4.3030 -3.0358 -3.0137 -1.3995 -1.3187 -1.3085 -1.2981 -0.3967 -0.3948 0.0302 0.0574 0.6274 0.6328 1.2253 1.2284 1.4998 1.5321 1.6847 1.8690 2.6098 2.8198 2.9643 2.9965 3.5412 3.5419 3.6825 3.6892 4.1019 4.1242 4.1935 4.2031 4.3583 4.3698 4.7019 4.7071 4.9562 4.9567 9.3311 9.7210 11.2506 11.3550 12.3361 12.4877 12.7261 12.7842 13.0297 13.0782 k = 0.2001-0.3356 0.3498 ( 3652 PWs) bands (ev): -14.3668 -14.3636 -14.0296 -14.0276 -12.9924 -12.9807 -12.7435 -12.7425 -12.1425 -12.1340 -11.9722 -11.9708 -4.2690 -4.2679 -3.0516 -3.0300 -1.4006 -1.3256 -1.3148 -1.2977 -0.4140 -0.4123 0.0520 0.0795 0.6182 0.6236 1.2546 1.2562 1.5026 1.5476 1.6734 1.8497 2.6007 2.8151 2.9285 2.9629 3.5308 3.5313 3.6903 3.6967 4.0860 4.1070 4.1962 4.2054 4.3474 4.3592 4.7001 4.7051 4.9708 4.9716 9.3086 9.6881 11.2389 11.3418 12.3163 12.4664 12.7355 12.7970 13.0498 13.1050 k = 0.1932-0.3240 0.3498 ( 3652 PWs) bands (ev): -14.3872 -14.3842 -14.0477 -14.0457 -12.9746 -12.9626 -12.7309 -12.7300 -12.1322 -12.1235 -11.9653 -11.9639 -4.2331 -4.2321 -3.0668 -3.0456 -1.4015 -1.3320 -1.3202 -1.2968 -0.4304 -0.4289 0.0732 0.1011 0.6065 0.6121 1.2836 1.2843 1.5035 1.5659 1.6689 1.8317 2.5901 2.8082 2.8930 2.9287 3.5177 3.5193 3.6960 3.7020 4.0712 4.0910 4.1993 4.2084 4.3362 4.3483 4.6985 4.7035 4.9843 4.9853 9.2855 9.6541 11.2286 11.3297 12.2953 12.4413 12.7449 12.8083 13.0691 13.1293 k = 0.1863-0.3124 0.3498 ( 3650 PWs) bands (ev): -14.4074 -14.4045 -14.0657 -14.0638 -12.9569 -12.9447 -12.7184 -12.7174 -12.1221 -12.1133 -11.9586 -11.9573 -4.1966 -4.1956 -3.0811 -3.0604 -1.4021 -1.3380 -1.3249 -1.2957 -0.4458 -0.4444 0.0938 0.1221 0.5930 0.5987 1.3116 1.3124 1.5020 1.5866 1.6720 1.8152 2.5778 2.7969 2.8597 2.8944 3.5025 3.5052 3.6994 3.7048 4.0582 4.0767 4.2030 4.2120 4.3249 4.3373 4.6973 4.7022 4.9967 4.9979 9.2619 9.6192 11.2195 11.3188 12.2735 12.4133 12.7538 12.8178 13.0873 13.1508 k = 0.1794-0.3008 0.3498 ( 3646 PWs) bands (ev): -14.4272 -14.4245 -14.0835 -14.0816 -12.9394 -12.9270 -12.7059 -12.7049 -12.1122 -12.1033 -11.9522 -11.9509 -4.1596 -4.1587 -3.0946 -3.0744 -1.4026 -1.3435 -1.3288 -1.2944 -0.4600 -0.4586 0.1139 0.1427 0.5778 0.5837 1.3371 1.3403 1.4997 1.6093 1.6822 1.8005 2.5634 2.7770 2.8330 2.8603 3.4852 3.4889 3.7003 3.7049 4.0472 4.0642 4.2074 4.2163 4.3136 4.3263 4.6965 4.7013 5.0080 5.0093 9.2379 9.5836 11.2119 11.3092 12.2511 12.3834 12.7619 12.8256 13.1041 13.1694 k = 0.1725-0.2893 0.3498 ( 3644 PWs) bands (ev): -14.4466 -14.4440 -14.1010 -14.0991 -12.9221 -12.9096 -12.6934 -12.6925 -12.1026 -12.0936 -11.9460 -11.9447 -4.1222 -4.1213 -3.1073 -3.0876 -1.4029 -1.3485 -1.3320 -1.2931 -0.4729 -0.4716 0.1334 0.1628 0.5615 0.5677 1.3579 1.3677 1.4997 1.6332 1.6981 1.7879 2.5467 2.7464 2.8148 2.8267 3.4657 3.4704 3.6984 3.7021 4.0386 4.0539 4.2123 4.2213 4.3025 4.3154 4.6961 4.7008 5.0182 5.0195 9.2136 9.5473 11.2055 11.3007 12.2283 12.3522 12.7689 12.8317 13.1191 13.1849 k = 0.1656-0.2777 0.3498 ( 3644 PWs) bands (ev): -14.4656 -14.4632 -14.1182 -14.1163 -12.9051 -12.8926 -12.6810 -12.6801 -12.0932 -12.0842 -11.9401 -11.9389 -4.0845 -4.0836 -3.1192 -3.1000 -1.4032 -1.3533 -1.3348 -1.2917 -0.4844 -0.4832 0.1523 0.1826 0.5446 0.5510 1.3709 1.3941 1.5062 1.6578 1.7181 1.7782 2.5274 2.7092 2.7940 2.8011 3.4441 3.4498 3.6937 3.6965 4.0324 4.0457 4.2179 4.2268 4.2918 4.3050 4.6960 4.7007 5.0273 5.0287 9.1891 9.5106 11.2005 11.2934 12.2054 12.3203 12.7747 12.8359 13.1324 13.1974 k = 0.1587-0.2661 0.3498 ( 3648 PWs) bands (ev): -14.4841 -14.4818 -14.1350 -14.1332 -12.8884 -12.8759 -12.6689 -12.6680 -12.0840 -12.0750 -11.9344 -11.9332 -4.0467 -4.0458 -3.1303 -3.1117 -1.4036 -1.3579 -1.3371 -1.2903 -0.4945 -0.4933 0.1708 0.2019 0.5274 0.5341 1.3746 1.4193 1.5213 1.6819 1.7411 1.7722 2.5052 2.6689 2.7624 2.7883 3.4206 3.4272 3.6864 3.6880 4.0285 4.0397 4.2242 4.2328 4.2819 4.2950 4.6962 4.7009 5.0353 5.0368 9.1645 9.4736 11.1967 11.2873 12.1825 12.2882 12.7792 12.8384 13.1437 13.2071 k = 0.1518-0.2546 0.3498 ( 3652 PWs) bands (ev): -14.5021 -14.4999 -14.1514 -14.1497 -12.8721 -12.8597 -12.6569 -12.6560 -12.0751 -12.0661 -11.9290 -11.9278 -4.0087 -4.0079 -3.1406 -3.1226 -1.4041 -1.3625 -1.3390 -1.2891 -0.5030 -0.5018 0.1887 0.2209 0.5102 0.5173 1.3708 1.4425 1.5438 1.7036 1.7662 1.7720 2.4801 2.6270 2.7319 2.7749 3.3952 3.4028 3.6766 3.6770 4.0268 4.0357 4.2310 4.2391 4.2730 4.2858 4.6968 4.7015 5.0424 5.0439 9.1399 9.4364 11.1941 11.2822 12.1598 12.2563 12.7823 12.8391 13.1532 13.2142 k = 0.1449-0.2430 0.3498 ( 3652 PWs) bands (ev): -14.5196 -14.5175 -14.1674 -14.1658 -12.8562 -12.8439 -12.6451 -12.6443 -12.0665 -12.0576 -11.9238 -11.9227 -3.9709 -3.9701 -3.1501 -3.1327 -1.4050 -1.3673 -1.3406 -1.2880 -0.5100 -0.5087 0.2063 0.2396 0.4936 0.5012 1.3626 1.4633 1.5709 1.7201 1.7807 1.7925 2.4520 2.5841 2.7027 2.7603 3.3683 3.3766 3.6639 3.6645 4.0268 4.0334 4.2384 4.2447 4.2663 4.2776 4.6977 4.7024 5.0485 5.0500 9.1154 9.3993 11.1927 11.2782 12.1375 12.2249 12.7841 12.8381 13.1608 13.2189 k = 0.1380-0.2314 0.3498 ( 3652 PWs) bands (ev): -14.5365 -14.5345 -14.1829 -14.1813 -12.8407 -12.8286 -12.6337 -12.6329 -12.0582 -12.0494 -11.9189 -11.9178 -3.9333 -3.9325 -3.1588 -3.1420 -1.4062 -1.3723 -1.3419 -1.2871 -0.5153 -0.5141 0.2235 0.2581 0.4779 0.4859 1.3522 1.4811 1.6005 1.7310 1.7984 1.8197 2.4212 2.5404 2.6748 2.7443 3.3401 3.3491 3.6490 3.6507 4.0281 4.0324 4.2461 4.2470 4.2646 4.2707 4.6987 4.7035 5.0537 5.0552 9.0912 9.3622 11.1923 11.2751 12.1158 12.1943 12.7845 12.8356 13.1667 13.2214 k = 0.1311-0.2198 0.3498 ( 3656 PWs) bands (ev): -14.5527 -14.5509 -14.1979 -14.1964 -12.8258 -12.8138 -12.6225 -12.6217 -12.0502 -12.0415 -11.9142 -11.9131 -3.8960 -3.8953 -3.1667 -3.1506 -1.4080 -1.3777 -1.3429 -1.2864 -0.5191 -0.5178 0.2403 0.2764 0.4633 0.4718 1.3411 1.4953 1.6312 1.7401 1.8217 1.8472 2.3880 2.4963 2.6479 2.7268 3.3106 3.3202 3.6328 3.6354 4.0302 4.0322 4.2448 4.2533 4.2661 4.2694 4.7000 4.7048 5.0582 5.0597 9.0673 9.3254 11.1929 11.2728 12.0947 12.1647 12.7837 12.8315 13.1710 13.2221 k = 0.1242-0.2083 0.3498 ( 3656 PWs) bands (ev): -14.5683 -14.5665 -14.2123 -14.2109 -12.8113 -12.7996 -12.6117 -12.6110 -12.0425 -12.0340 -11.9097 -11.9088 -3.8592 -3.8585 -3.1739 -3.1586 -1.4105 -1.3836 -1.3437 -1.2859 -0.5213 -0.5199 0.2568 0.2945 0.4503 0.4593 1.3300 1.5059 1.6623 1.7501 1.8472 1.8747 2.3530 2.4520 2.6219 2.7077 3.2803 3.2904 3.6157 3.6191 4.0326 4.0326 4.2417 4.2558 4.2680 4.2771 4.7013 4.7062 5.0620 5.0634 9.0438 9.2891 11.1944 11.2713 12.0745 12.1365 12.7817 12.8261 13.1738 13.2212 k = 0.1173-0.1967 0.3498 ( 3658 PWs) bands (ev): -14.5832 -14.5816 -14.2261 -14.2248 -12.7974 -12.7860 -12.6013 -12.6006 -12.0352 -12.0268 -11.9056 -11.9046 -3.8230 -3.8224 -3.1804 -3.1658 -1.4138 -1.3901 -1.3441 -1.2857 -0.5220 -0.5206 0.2730 0.3124 0.4390 0.4487 1.3193 1.5130 1.6931 1.7619 1.8731 1.9017 2.3167 2.4079 2.5967 2.6873 3.2492 3.2598 3.5980 3.6021 4.0330 4.0347 4.2397 4.2544 4.2759 4.2859 4.7028 4.7076 5.0652 5.0665 9.0209 9.2532 11.1967 11.2704 12.0552 12.1096 12.7787 12.8195 13.1752 13.2189 k = 0.1104-0.1851 0.3498 ( 3662 PWs) bands (ev): -14.5974 -14.5959 -14.2394 -14.2381 -12.7842 -12.7731 -12.5914 -12.5907 -12.0282 -12.0201 -11.9016 -11.9007 -3.7876 -3.7870 -3.1863 -3.1724 -1.4180 -1.3972 -1.3443 -1.2859 -0.5214 -0.5199 0.2888 0.3300 0.4298 0.4401 1.3093 1.5169 1.7234 1.7755 1.8985 1.9278 2.2801 2.3642 2.5722 2.6656 3.2177 3.2286 3.5802 3.5847 4.0332 4.0363 4.2395 4.2535 4.2852 4.2951 4.7042 4.7091 5.0678 5.0691 8.9987 9.2180 11.1997 11.2700 12.0368 12.0843 12.7746 12.8119 13.1753 13.2154 k = 0.1035-0.1736 0.3498 ( 3666 PWs) bands (ev): -14.6108 -14.6094 -14.2519 -14.2507 -12.7715 -12.7608 -12.5818 -12.5812 -12.0215 -12.0137 -11.8979 -11.8971 -3.7531 -3.7526 -3.1914 -3.1783 -1.4231 -1.4049 -1.3442 -1.2863 -0.5197 -0.5180 0.3043 0.3472 0.4228 0.4339 1.3002 1.5183 1.7526 1.7901 1.9224 1.9523 2.2443 2.3218 2.5485 2.6429 3.1860 3.1972 3.5623 3.5672 4.0329 4.0370 4.2412 4.2541 4.2950 4.3045 4.7055 4.7105 5.0700 5.0712 8.9774 9.1836 11.2032 11.2701 12.0195 12.0606 12.7698 12.8034 13.1744 13.2111 k = 0.0966-0.1620 0.3498 ( 3668 PWs) bands (ev): -14.6235 -14.6222 -14.2638 -14.2626 -12.7595 -12.7493 -12.5728 -12.5722 -12.0152 -12.0077 -11.8945 -11.8937 -3.7197 -3.7193 -3.1960 -3.1837 -1.4291 -1.4131 -1.3438 -1.2871 -0.5169 -0.5152 0.3194 0.3639 0.4185 0.4301 1.2923 1.5175 1.7806 1.8047 1.9438 1.9743 2.2106 2.2816 2.5257 2.6194 3.1543 3.1656 3.5447 3.5498 4.0320 4.0366 4.2448 4.2563 4.3049 4.3141 4.7068 4.7117 5.0719 5.0729 8.9571 9.1501 11.2073 11.2705 12.0033 12.0386 12.7642 12.7943 13.1726 13.2059 k = 0.0897-0.1504 0.3498 ( 3662 PWs) bands (ev): -14.6354 -14.6342 -14.2749 -14.2738 -12.7481 -12.7384 -12.5642 -12.5637 -12.0093 -12.0022 -11.8913 -11.8905 -3.6876 -3.6872 -3.2000 -3.1885 -1.4358 -1.4219 -1.3431 -1.2882 -0.5133 -0.5115 0.3342 0.3797 0.4170 0.4287 1.2855 1.5151 1.8070 1.8184 1.9607 1.9922 2.1815 2.2454 2.5040 2.5954 3.1228 3.1342 3.5277 3.5328 4.0304 4.0353 4.2501 4.2600 4.3149 4.3236 4.7079 4.7129 5.0734 5.0743 8.9378 9.1177 11.2117 11.2712 11.9883 12.0184 12.7581 12.7848 13.1701 13.2003 k = 0.0828-0.1388 0.3498 ( 3664 PWs) bands (ev): -14.6465 -14.6454 -14.2854 -14.2844 -12.7375 -12.7283 -12.5562 -12.5557 -12.0037 -11.9970 -11.8883 -11.8876 -3.6569 -3.6566 -3.2035 -3.1928 -1.4432 -1.4311 -1.3421 -1.2896 -0.5091 -0.5073 0.3487 0.3938 0.4191 0.4299 1.2800 1.5111 1.8302 1.8315 1.9710 2.0033 2.1601 2.2160 2.4837 2.5713 3.0917 3.1031 3.5113 3.5164 4.0282 4.0331 4.2568 4.2649 4.3248 4.3330 4.7088 4.7138 5.0747 5.0755 8.9199 9.0865 11.2164 11.2720 11.9745 11.9999 12.7516 12.7750 13.1669 13.1942 k = 0.0759-0.1273 0.3498 ( 3664 PWs) bands (ev): -14.6568 -14.6558 -14.2950 -14.2941 -12.7276 -12.7190 -12.5488 -12.5483 -11.9985 -11.9922 -11.8856 -11.8849 -3.6278 -3.6275 -3.2064 -3.1966 -1.4510 -1.4405 -1.3410 -1.2912 -0.5046 -0.5028 0.3628 0.4051 0.4258 0.4333 1.2760 1.5056 1.8391 1.8536 1.9723 2.0043 2.1495 2.1971 2.4652 2.5475 3.0613 3.0726 3.4957 3.5007 4.0254 4.0301 4.2645 4.2710 4.3345 4.3421 4.7096 4.7144 5.0758 5.0765 8.9033 9.0566 11.2213 11.2728 11.9619 11.9832 12.7449 12.7652 13.1634 13.1878 k = 0.0690-0.1157 0.3498 ( 3662 PWs) bands (ev): -14.6663 -14.6654 -14.3039 -14.3031 -12.7184 -12.7105 -12.5419 -12.5414 -11.9938 -11.9879 -11.8831 -11.8825 -3.6004 -3.6002 -3.2089 -3.1999 -1.4592 -1.4500 -1.3397 -1.2932 -0.5000 -0.4981 0.3768 0.4138 0.4365 0.4387 1.2734 1.4985 1.8438 1.8729 1.9658 1.9936 2.1502 2.1908 2.4487 2.5244 3.0319 3.0429 3.4811 3.4859 4.0222 4.0266 4.2729 4.2777 4.3439 4.3508 4.7102 4.7149 5.0767 5.0773 8.8883 9.0281 11.2263 11.2736 11.9506 11.9682 12.7381 12.7555 13.1595 13.1813 k = 0.0621-0.1041 0.3498 ( 3658 PWs) bands (ev): -14.6749 -14.6740 -14.3120 -14.3113 -12.7100 -12.7028 -12.5356 -12.5352 -11.9894 -11.9840 -11.8808 -11.8803 -3.5750 -3.5748 -3.2110 -3.2029 -1.4674 -1.4595 -1.3383 -1.2953 -0.4954 -0.4936 0.3908 0.4220 0.4456 0.4485 1.2723 1.4897 1.8430 1.8884 1.9558 1.9741 2.1591 2.1949 2.4346 2.5025 3.0036 3.0143 3.4675 3.4721 4.0188 4.0228 4.2817 4.2850 4.3528 4.3591 4.7106 4.7151 5.0776 5.0781 8.8750 9.0012 11.2313 11.2743 11.9404 11.9550 12.7314 12.7461 13.1556 13.1749 k = 0.0552-0.0926 0.3498 ( 3654 PWs) bands (ev): -14.6826 -14.6819 -14.3193 -14.3186 -12.7024 -12.6959 -12.5299 -12.5296 -11.9854 -11.9806 -11.8788 -11.8784 -3.5517 -3.5515 -3.2127 -3.2055 -1.4754 -1.4687 -1.3367 -1.2977 -0.4909 -0.4892 0.4047 0.4309 0.4535 0.4604 1.2728 1.4788 1.8364 1.8973 1.9469 1.9529 2.1726 2.2053 2.4230 2.4822 2.9768 2.9870 3.4552 3.4594 4.0152 4.0188 4.2903 4.2924 4.3612 4.3667 4.7108 4.7151 5.0783 5.0787 8.8634 8.9760 11.2363 11.2748 11.9315 11.9434 12.7249 12.7372 13.1517 13.1686 k = 0.0483-0.0810 0.3498 ( 3646 PWs) bands (ev): -14.6894 -14.6888 -14.3258 -14.3252 -12.6956 -12.6898 -12.5249 -12.5246 -11.9818 -11.9775 -11.8770 -11.8766 -3.5306 -3.5305 -3.2141 -3.2077 -1.4831 -1.4774 -1.3349 -1.3002 -0.4868 -0.4852 0.4186 0.4406 0.4619 0.4713 1.2749 1.4658 1.8252 1.8922 1.9409 1.9410 2.1880 2.2183 2.4142 2.4640 2.9517 2.9613 3.4441 3.4479 4.0118 4.0149 4.2986 4.2996 4.3690 4.3738 4.7110 4.7149 5.0790 5.0793 8.8538 8.9526 11.2411 11.2750 11.9238 11.9333 12.7189 12.7290 13.1480 13.1626 k = 0.0414-0.0694 0.3498 ( 3650 PWs) bands (ev): -14.6953 -14.6948 -14.3314 -14.3309 -12.6896 -12.6846 -12.5205 -12.5202 -11.9787 -11.9750 -11.8755 -11.8752 -3.5120 -3.5119 -3.2151 -3.2097 -1.4903 -1.4855 -1.3331 -1.3028 -0.4831 -0.4817 0.4322 0.4505 0.4704 0.4810 1.2787 1.4507 1.8121 1.8728 1.9377 1.9411 2.2037 2.2317 2.4079 2.4482 2.9288 2.9375 3.4344 3.4377 4.0085 4.0112 4.3063 4.3066 4.3759 4.3800 4.7110 4.7146 5.0796 5.0798 8.8462 8.9311 11.2457 11.2750 11.9173 11.9248 12.7133 12.7215 13.1447 13.1570 k = 0.0345-0.0579 0.3498 ( 3652 PWs) bands (ev): -14.7004 -14.6999 -14.3362 -14.3357 -12.6845 -12.6802 -12.5167 -12.5165 -11.9760 -11.9728 -11.8742 -11.8739 -3.4960 -3.4959 -3.2159 -3.2113 -1.4966 -1.4927 -1.3311 -1.3056 -0.4799 -0.4787 0.4452 0.4603 0.4785 0.4891 1.2843 1.4337 1.7993 1.8496 1.9361 1.9441 2.2186 2.2441 2.4040 2.4351 2.9084 2.9161 3.4261 3.4290 4.0055 4.0078 4.3129 4.3132 4.3820 4.3854 4.7110 4.7141 5.0801 5.0803 8.8407 8.9116 11.2501 11.2746 11.9119 11.9177 12.7084 12.7149 13.1417 13.1519 k = 0.0276-0.0463 0.3498 ( 3654 PWs) bands (ev): -14.7045 -14.7041 -14.3401 -14.3397 -12.6801 -12.6767 -12.5136 -12.5134 -11.9737 -11.9711 -11.8731 -11.8729 -3.4826 -3.4826 -3.2164 -3.2127 -1.5020 -1.4990 -1.3289 -1.3083 -0.4773 -0.4762 0.4571 0.4693 0.4860 0.4956 1.2918 1.4153 1.7885 1.8279 1.9356 1.9463 2.2322 2.2543 2.4021 2.4248 2.8911 2.8975 3.4193 3.4216 4.0030 4.0048 4.3184 4.3190 4.3872 4.3899 4.7110 4.7135 5.0805 5.0807 8.8374 8.8942 11.2542 11.2738 11.9076 11.9119 12.7043 12.7092 13.1393 13.1475 k = 0.0207-0.0347 0.3498 ( 3656 PWs) bands (ev): -14.7077 -14.7074 -14.3431 -14.3428 -12.6767 -12.6741 -12.5112 -12.5111 -11.9718 -11.9699 -11.8723 -11.8721 -3.4721 -3.4721 -3.2167 -3.2139 -1.5064 -1.5041 -1.3267 -1.3111 -0.4751 -0.4743 0.4676 0.4767 0.4925 0.5004 1.3012 1.3962 1.7804 1.8092 1.9361 1.9468 2.2439 2.2617 2.4017 2.4171 2.8771 2.8822 3.4140 3.4158 4.0010 4.0023 4.3229 4.3236 4.3914 4.3933 4.7110 4.7130 5.0809 5.0810 8.8363 8.8790 11.2579 11.2727 11.9043 11.9074 12.7011 12.7047 13.1376 13.1437 k = 0.0138-0.0231 0.3498 ( 3656 PWs) bands (ev): -14.7100 -14.7098 -14.3453 -14.3451 -12.6741 -12.6723 -12.5095 -12.5094 -11.9704 -11.9691 -11.8717 -11.8716 -3.4646 -3.4645 -3.2167 -3.2149 -1.5094 -1.5079 -1.3243 -1.3139 -0.4736 -0.4730 0.4759 0.4821 0.4977 0.5033 1.3126 1.3771 1.7756 1.7944 1.9374 1.9459 2.2535 2.2661 2.4024 2.4118 2.8670 2.8705 3.4103 3.4115 3.9996 4.0005 4.3264 4.3269 4.3945 4.3958 4.7111 4.7124 5.0811 5.0812 8.8376 8.8661 11.2614 11.2712 11.9022 11.9042 12.6989 12.7012 13.1366 13.1406 k = 0.0069-0.0116 0.3498 ( 3654 PWs) bands (ev): -14.7113 -14.7113 -14.3465 -14.3465 -12.6723 -12.6715 -12.5084 -12.5084 -11.9694 -11.9688 -11.8713 -11.8712 -3.4600 -3.4600 -3.2166 -3.2156 -1.5112 -1.5104 -1.3219 -1.3166 -0.4726 -0.4723 0.4818 0.4849 0.5016 0.5044 1.3261 1.3586 1.7744 1.7836 1.9393 1.9441 2.2608 2.2673 2.4037 2.4081 2.8612 2.8630 3.4082 3.4088 3.9988 3.9992 4.3285 4.3288 4.3965 4.3971 4.7112 4.7119 5.0813 5.0813 8.8412 8.8554 11.2644 11.2694 11.9011 11.9020 12.6978 12.6989 13.1364 13.1384 k = 0.0000 0.0000 0.3498 ( 3656 PWs) bands (ev): -14.7118 -14.7118 -14.3469 -14.3469 -12.6715 -12.6715 -12.5081 -12.5081 -11.9689 -11.9689 -11.8712 -11.8712 -3.4585 -3.4585 -3.2162 -3.2162 -1.5115 -1.5115 -1.3193 -1.3193 -0.4721 -0.4721 0.4849 0.4849 0.5038 0.5038 1.3415 1.3415 1.7770 1.7770 1.9417 1.9417 2.2654 2.2654 2.4056 2.4056 2.8598 2.8598 3.4077 3.4077 3.9987 3.9987 4.3294 4.3294 4.3974 4.3974 4.7115 4.7115 5.0814 5.0814 8.8471 8.8471 11.2671 11.2671 11.9010 11.9010 12.6978 12.6978 13.1370 13.1370 k = 0.0000 0.0000 0.3498 ( 3656 PWs) bands (ev): -14.7118 -14.7118 -14.3469 -14.3469 -12.6715 -12.6715 -12.5081 -12.5081 -11.9689 -11.9689 -11.8712 -11.8712 -3.4585 -3.4585 -3.2162 -3.2162 -1.5115 -1.5115 -1.3193 -1.3193 -0.4721 -0.4721 0.4849 0.4849 0.5038 0.5038 1.3415 1.3415 1.7770 1.7770 1.9417 1.9417 2.2654 2.2654 2.4056 2.4056 2.8598 2.8598 3.4077 3.4077 3.9987 3.9987 4.3294 4.3294 4.3974 4.3974 4.7115 4.7115 5.0814 5.0814 8.8471 8.8471 11.2671 11.2671 11.9010 11.9010 12.6978 12.6978 13.1370 13.1370 k = 0.0117 0.0070 0.3498 ( 3656 PWs) bands (ev): -14.7111 -14.7111 -14.3469 -14.3459 -12.6721 -12.6714 -12.5081 -12.5081 -11.9704 -11.9695 -11.8718 -11.8714 -3.4644 -3.4598 -3.2148 -3.2136 -1.5112 -1.5098 -1.3181 -1.3157 -0.4753 -0.4713 0.4562 0.4719 0.5077 0.5307 1.3399 1.3499 1.7675 1.7864 1.9324 1.9544 2.2514 2.2792 2.3952 2.4252 2.8592 2.8604 3.4049 3.4084 3.9976 3.9986 4.3289 4.3300 4.3953 4.4009 4.7059 4.7120 5.0806 5.0814 8.8403 8.8567 11.2446 11.2899 11.8912 11.9118 12.6933 12.7027 13.1319 13.1418 k = 0.0234 0.0139 0.3498 ( 3656 PWs) bands (ev): -14.7090 -14.7090 -14.3457 -14.3438 -12.6733 -12.6720 -12.5082 -12.5081 -11.9742 -11.9722 -11.8732 -11.8725 -3.4772 -3.4683 -3.2096 -3.2075 -1.5088 -1.5061 -1.3121 -1.3075 -0.4807 -0.4728 0.4219 0.4350 0.5247 0.5525 1.3449 1.3645 1.7590 1.7937 1.9285 1.9690 2.2390 2.2897 2.3974 2.4518 2.8587 2.8612 3.4003 3.4072 3.9954 3.9973 4.3286 4.3308 4.3945 4.4058 4.6952 4.7075 5.0790 5.0806 8.8362 8.8690 11.2224 11.3130 11.8825 11.9236 12.6892 12.7079 13.1267 13.1463 k = 0.0351 0.0209 0.3498 ( 3657 PWs) bands (ev): -14.7056 -14.7055 -14.3435 -14.3405 -12.6751 -12.6732 -12.5084 -12.5082 -11.9800 -11.9772 -11.8754 -11.8744 -3.4962 -3.4835 -3.2010 -3.1984 -1.5043 -1.5006 -1.3015 -1.2948 -0.4884 -0.4766 0.3828 0.3936 0.5363 0.5696 1.3562 1.3847 1.7521 1.7972 1.9319 1.9842 2.2285 2.2945 2.4147 2.4844 2.8583 2.8621 3.3938 3.4041 3.9920 3.9948 4.3286 4.3318 4.3948 4.4117 4.6796 4.6985 5.0766 5.0792 8.8348 8.8840 11.2008 11.3363 11.8747 11.9364 12.6856 12.7135 13.1215 13.1504 k = 0.0468 0.0279 0.3498 ( 3655 PWs) bands (ev): -14.7007 -14.7007 -14.3401 -14.3362 -12.6774 -12.6749 -12.5085 -12.5083 -11.9880 -11.9844 -11.8784 -11.8773 -3.5204 -3.5045 -3.1896 -3.1868 -1.4979 -1.4932 -1.2866 -1.2780 -0.4981 -0.4827 0.3396 0.3486 0.5432 0.5826 1.3728 1.4096 1.7468 1.7963 1.9429 1.9996 2.2201 2.2954 2.4450 2.5221 2.8583 2.8636 3.3856 3.3992 3.9873 3.9910 4.3290 4.3331 4.3955 4.4180 4.6596 4.6858 5.0735 5.0770 8.8360 8.9013 11.1796 11.3597 11.8678 11.9503 12.6825 12.7194 13.1163 13.1542 k = 0.0584 0.0348 0.3498 ( 3647 PWs) bands (ev): -14.6946 -14.6945 -14.3357 -14.3308 -12.6803 -12.6772 -12.5088 -12.5086 -11.9980 -11.9938 -11.8821 -11.8809 -3.5492 -3.5305 -3.1759 -3.1734 -1.4897 -1.4842 -1.2677 -1.2575 -0.5099 -0.4910 0.2935 0.3009 0.5463 0.5919 1.3939 1.4380 1.7431 1.7919 1.9601 2.0145 2.2139 2.2958 2.4844 2.5643 2.8591 2.8662 3.3759 3.3927 3.9811 3.9857 4.3297 4.3349 4.3956 4.4239 4.6362 4.6705 5.0695 5.0741 8.8398 8.9210 11.1589 11.3831 11.8620 11.9653 12.6797 12.7254 13.1114 13.1575 k = 0.0701 0.0418 0.3498 ( 3648 PWs) bands (ev): -14.6870 -14.6870 -14.3301 -14.3243 -12.6838 -12.6801 -12.5092 -12.5090 -12.0101 -12.0053 -11.8865 -11.8854 -3.5819 -3.5609 -3.1603 -3.1583 -1.4798 -1.4736 -1.2455 -1.2337 -0.5235 -0.5013 0.2457 0.2517 0.5464 0.5983 1.4185 1.4690 1.7403 1.7855 1.9811 2.0289 2.2100 2.2980 2.5297 2.6096 2.8614 2.8704 3.3649 3.3848 3.9735 3.9788 4.3304 4.3372 4.3939 4.4280 4.6114 4.6542 5.0647 5.0705 8.8459 8.9429 11.1389 11.4062 11.8572 11.9814 12.6773 12.7314 13.1069 13.1603 k = 0.0818 0.0488 0.3498 ( 3651 PWs) bands (ev): -14.6781 -14.6780 -14.3236 -14.3167 -12.6878 -12.6836 -12.5097 -12.5095 -12.0241 -12.0189 -11.8916 -11.8906 -3.6180 -3.5950 -3.1431 -3.1416 -1.4684 -1.4617 -1.2204 -1.2074 -0.5388 -0.5135 0.1972 0.2019 0.5443 0.6022 1.4456 1.5019 1.7380 1.7786 2.0036 2.0426 2.2091 2.3033 2.5777 2.6558 2.8669 2.8779 3.3530 3.3758 3.9641 3.9701 4.3303 4.3393 4.3891 4.4281 4.5881 4.6391 5.0591 5.0663 8.8541 8.9665 11.1195 11.4289 11.8535 11.9985 12.6752 12.7374 13.1028 13.1627 k = 0.0935 0.0558 0.3498 ( 3651 PWs) bands (ev): -14.6678 -14.6677 -14.3159 -14.3081 -12.6924 -12.6876 -12.5105 -12.5102 -12.0400 -12.0346 -11.8974 -11.8965 -3.6570 -3.6323 -3.1243 -3.1236 -1.4559 -1.4486 -1.1931 -1.1791 -0.5555 -0.5273 0.1494 0.1528 0.5408 0.6043 1.4744 1.5357 1.7352 1.7722 2.0246 2.0557 2.2124 2.3128 2.6248 2.6993 2.8785 2.8907 3.3404 3.3661 3.9530 3.9596 4.3273 4.3391 4.3815 4.4221 4.5708 4.6277 5.0527 5.0615 8.8643 8.9918 11.1009 11.4510 11.8510 12.0167 12.6734 12.7432 13.0994 13.1647 k = 0.1052 0.0627 0.3498 ( 3651 PWs) bands (ev): -14.6562 -14.6561 -14.3073 -14.2986 -12.6976 -12.6921 -12.5114 -12.5111 -12.0577 -12.0521 -11.9039 -11.9030 -3.6985 -3.6724 -3.1044 -3.1039 -1.4425 -1.4346 -1.1645 -1.1497 -0.5734 -0.5422 0.1032 0.1055 0.5363 0.6051 1.5037 1.5700 1.7313 1.7675 2.0414 2.0681 2.2218 2.3272 2.6668 2.7345 2.9009 2.9120 3.3277 3.3561 3.9399 3.9471 4.3167 4.3296 4.3765 4.4117 4.5629 4.6217 5.0455 5.0560 8.8761 9.0185 11.0831 11.4723 11.8499 12.0359 12.6717 12.7486 13.0967 13.1663 k = 0.1169 0.0697 0.3498 ( 3647 PWs) bands (ev): -14.6432 -14.6431 -14.2976 -14.2880 -12.7033 -12.6973 -12.5127 -12.5122 -12.0771 -12.0715 -11.9111 -11.9102 -3.7422 -3.7149 -3.0836 -3.0824 -1.4286 -1.4200 -1.1354 -1.1201 -0.5921 -0.5578 0.0596 0.0611 0.5314 0.6050 1.5326 1.6042 1.7256 1.7655 2.0526 2.0785 2.2392 2.3468 2.6994 2.7572 2.9370 2.9450 3.3153 3.3465 3.9249 3.9325 4.2930 4.3043 4.3789 4.4044 4.5639 4.6218 5.0374 5.0499 8.8894 9.0463 11.0663 11.4923 11.8504 12.0561 12.6703 12.7535 13.0948 13.1676 k = 0.1286 0.0767 0.3498 ( 3648 PWs) bands (ev): -14.6289 -14.6288 -14.2869 -14.2764 -12.7096 -12.7030 -12.5142 -12.5136 -12.0982 -12.0925 -11.9190 -11.9178 -3.7876 -3.7593 -3.0615 -3.0595 -1.4145 -1.4053 -1.1070 -1.0916 -0.6109 -0.5731 0.0193 0.0211 0.5265 0.6046 1.5596 1.6376 1.7182 1.7670 2.0591 2.0852 2.2652 2.3717 2.7210 2.7686 2.9843 2.9897 3.3041 3.3380 3.9078 3.9159 4.2556 4.2659 4.3866 4.4045 4.5712 4.6273 5.0286 5.0433 8.9039 9.0749 11.0505 11.5109 11.8526 12.0772 12.6690 12.7578 13.0938 13.1685 k = 0.1403 0.0836 0.3498 ( 3645 PWs) bands (ev): -14.6133 -14.6132 -14.2753 -14.2639 -12.7164 -12.7093 -12.5161 -12.5152 -12.1208 -12.1151 -11.9274 -11.9259 -3.8344 -3.8054 -3.0382 -3.0352 -1.4008 -1.3907 -1.0805 -1.0656 -0.6288 -0.5870 -0.0166 -0.0136 0.5218 0.6041 1.5831 1.6697 1.7097 1.7726 2.0621 2.0880 2.2985 2.4015 2.7333 2.7728 3.0364 3.0428 3.2955 3.3323 3.8885 3.8973 4.2071 4.2201 4.3970 4.4104 4.5824 4.6371 5.0189 5.0362 8.9194 9.1040 11.0360 11.5278 11.8568 12.0992 12.6678 12.7614 13.0937 13.1692 k = 0.1520 0.0906 0.3498 ( 3646 PWs) bands (ev): -14.5963 -14.5963 -14.2628 -14.2505 -12.7240 -12.7163 -12.5184 -12.5172 -12.1448 -12.1391 -11.9365 -11.9346 -3.8824 -3.8528 -3.0136 -3.0096 -1.3877 -1.3769 -1.0576 -1.0437 -0.6447 -0.5980 -0.0471 -0.0427 0.5178 0.6039 1.6013 1.6925 1.7081 1.7829 2.0628 2.0880 2.3375 2.4357 2.7390 2.7730 3.0870 3.0981 3.2924 3.3317 3.8668 3.8766 4.1513 4.1702 4.4094 4.4199 4.5961 4.6499 5.0085 5.0287 8.9355 9.1334 11.0228 11.5427 11.8631 12.1219 12.6666 12.7643 13.0945 13.1695 k = 0.1636 0.0976 0.3498 ( 3649 PWs) bands (ev): -14.5781 -14.5780 -14.2494 -14.2363 -12.7322 -12.7239 -12.5210 -12.5196 -12.1699 -12.1644 -11.9460 -11.9437 -3.9312 -3.9012 -2.9878 -2.9827 -1.3759 -1.3644 -1.0401 -1.0275 -0.6569 -0.6043 -0.0714 -0.0655 0.5144 0.6041 1.6132 1.6858 1.7338 1.7981 2.0620 2.0863 2.3804 2.4735 2.7404 2.7707 3.1295 3.1470 3.3011 3.3403 3.8424 3.8540 4.0917 4.1176 4.4232 4.4318 4.6113 4.6648 4.9973 5.0209 8.9521 9.1629 11.0111 11.5556 11.8714 12.1454 12.6654 12.7662 13.0963 13.1696 k = 0.1753 0.1045 0.3498 ( 3653 PWs) bands (ev): -14.5586 -14.5585 -14.2351 -14.2212 -12.7412 -12.7323 -12.5241 -12.5224 -12.1961 -12.1907 -11.9559 -11.9532 -3.9806 -3.9503 -2.9608 -2.9546 -1.3660 -1.3538 -1.0299 -1.0185 -0.6637 -0.6043 -0.0887 -0.0815 0.5120 0.6051 1.6189 1.6745 1.7616 1.8171 2.0603 2.0842 2.4260 2.5140 2.7389 2.7669 3.1577 3.1788 3.3302 3.3621 3.8149 3.8292 4.0310 4.0642 4.4382 4.4454 4.6276 4.6811 4.9854 5.0130 8.9689 9.1920 11.0010 11.5665 11.8818 12.1694 12.6642 12.7673 13.0988 13.1694 k = 0.1870 0.1115 0.3498 ( 3657 PWs) bands (ev): -14.5378 -14.5377 -14.2200 -14.2053 -12.7510 -12.7415 -12.5277 -12.5255 -12.2232 -12.2179 -11.9662 -11.9631 -4.0303 -3.9999 -2.9326 -2.9253 -1.3585 -1.3457 -1.0280 -1.0172 -0.6637 -0.5972 -0.0987 -0.0903 0.5105 0.6067 1.6194 1.6624 1.7876 1.8379 2.0586 2.0826 2.4730 2.5565 2.7354 2.7620 3.1708 3.1924 3.3788 3.3965 3.7838 3.8012 3.9726 4.0123 4.4540 4.4602 4.6446 4.6981 4.9728 5.0051 8.9857 9.2207 10.9927 11.5755 11.8940 12.1939 12.6628 12.7676 13.1020 13.1690 k = 0.1987 0.1185 0.3498 ( 3653 PWs) bands (ev): -14.5158 -14.5157 -14.2042 -14.1887 -12.7617 -12.7517 -12.5317 -12.5292 -12.2508 -12.2457 -11.9768 -11.9734 -4.0800 -4.0498 -2.9033 -2.8948 -1.3540 -1.3408 -1.0341 -1.0231 -0.6569 -0.5834 -0.1010 -0.0916 0.5101 0.6093 1.6158 1.6495 1.8110 1.8583 2.0578 2.0822 2.5204 2.6001 2.7303 2.7565 3.1742 3.1960 3.4324 3.4402 3.7489 3.7679 3.9214 3.9646 4.4704 4.4760 4.6619 4.7154 4.9597 4.9975 9.0023 9.2486 10.9863 11.5831 11.9078 12.2188 12.6612 12.7669 13.1058 13.1684 k = 0.2104 0.1254 0.3498 ( 3659 PWs) bands (ev): -14.4926 -14.4924 -14.1876 -14.1715 -12.7735 -12.7629 -12.5362 -12.5333 -12.2789 -12.2739 -11.9877 -11.9839 -4.1296 -4.0996 -2.8730 -2.8632 -1.3533 -1.3395 -1.0463 -1.0350 -0.6440 -0.5642 -0.0954 -0.0854 0.5107 0.6126 1.6092 1.6361 1.8311 1.8765 2.0588 2.0840 2.5669 2.6440 2.7242 2.7508 3.1734 3.1954 3.4710 3.4955 3.7106 3.7268 3.8836 3.9251 4.4871 4.4926 4.6793 4.7324 4.9462 4.9907 9.0186 9.2756 10.9819 11.5895 11.9226 12.2439 12.6595 12.7654 13.1100 13.1676 k = 0.2221 0.1324 0.3498 ( 3662 PWs) bands (ev): -14.4681 -14.4680 -14.1704 -14.1536 -12.7865 -12.7754 -12.5412 -12.5379 -12.3070 -12.3023 -11.9988 -11.9948 -4.1789 -4.1492 -2.8417 -2.8306 -1.3569 -1.3424 -1.0625 -1.0508 -0.6266 -0.5409 -0.0821 -0.0716 0.5123 0.6167 1.6004 1.6220 1.8471 1.8910 2.0628 2.0884 2.6105 2.6863 2.7175 2.7457 3.1716 3.1932 3.4963 3.5421 3.6734 3.6793 3.8621 3.8994 4.5040 4.5095 4.6965 4.7486 4.9325 4.9850 9.0344 9.3014 10.9796 11.5951 11.9382 12.2691 12.6574 12.7632 13.1144 13.1667 k = 0.2338 0.1394 0.3498 ( 3668 PWs) bands (ev): -14.4424 -14.4423 -14.1526 -14.1352 -12.8008 -12.7891 -12.5467 -12.5430 -12.3350 -12.3305 -12.0101 -12.0058 -4.2277 -4.1984 -2.8094 -2.7970 -1.3652 -1.3498 -1.0807 -1.0688 -0.6060 -0.5152 -0.0614 -0.0505 0.5149 0.6215 1.5897 1.6073 1.8589 1.9008 2.0704 2.0957 2.6484 2.7067 2.7256 2.7472 3.1700 3.1910 3.5014 3.5561 3.6304 3.6578 3.8546 3.8951 4.5207 4.5266 4.7130 4.7634 4.9188 4.9812 9.0495 9.3258 10.9795 11.6005 11.9541 12.2942 12.6550 12.7602 13.1189 13.1656 k = 0.2455 0.1463 0.3498 ( 3668 PWs) bands (ev): -14.4156 -14.4155 -14.1343 -14.1163 -12.8166 -12.8044 -12.5527 -12.5486 -12.3627 -12.3584 -12.0215 -12.0169 -4.2757 -4.2471 -2.7762 -2.7625 -1.3781 -1.3615 -1.0996 -1.0875 -0.5833 -0.4881 -0.0336 -0.0224 0.5184 0.6268 1.5776 1.5919 1.8666 1.9058 2.0816 2.1055 2.6748 2.6992 2.7362 2.7760 3.1694 3.1895 3.4799 3.5257 3.5947 3.6659 3.8635 3.9128 4.5371 4.5436 4.7283 4.7761 4.9057 4.9799 9.0640 9.3487 10.9817 11.6060 11.9699 12.3192 12.6521 12.7566 13.1231 13.1645 k = 0.2571 0.1533 0.3498 ( 3666 PWs) bands (ev): -14.3876 -14.3875 -14.1156 -14.0971 -12.8339 -12.8214 -12.5591 -12.5548 -12.3895 -12.3855 -12.0329 -12.0282 -4.3229 -4.2949 -2.7422 -2.7271 -1.3953 -1.3772 -1.1182 -1.1061 -0.5591 -0.4602 0.0005 0.0120 0.5225 0.6326 1.5641 1.5759 1.8707 1.9068 2.0954 2.1174 2.6816 2.6919 2.7473 2.8103 3.1699 3.1891 3.4376 3.4780 3.5729 3.6716 3.8923 3.9454 4.5529 4.5601 4.7416 4.7862 4.8941 4.9817 9.0778 9.3699 10.9861 11.6119 11.9853 12.3437 12.6487 12.7523 13.1270 13.1634 k = 0.2688 0.1603 0.3498 ( 3660 PWs) bands (ev): -14.3586 -14.3584 -14.0965 -14.0775 -12.8531 -12.8402 -12.5661 -12.5614 -12.4155 -12.4117 -12.0442 -12.0394 -4.3691 -4.3418 -2.7074 -2.6908 -1.4161 -1.3966 -1.1363 -1.1244 -0.5337 -0.4319 0.0402 0.0521 0.5272 0.6386 1.5493 1.5591 1.8721 1.9049 2.1109 2.1304 2.6737 2.6850 2.7611 2.8388 3.1714 3.1900 3.3883 3.4273 3.5582 3.6703 3.9350 3.9861 4.5680 4.5757 4.7521 4.7929 4.8855 4.9871 9.0908 9.3891 10.9927 11.6184 12.0001 12.3677 12.6448 12.7475 13.1302 13.1625 k = 0.2805 0.1673 0.3498 ( 3660 PWs) bands (ev): -14.3284 -14.3283 -14.0771 -14.0578 -12.8740 -12.8610 -12.5735 -12.5685 -12.4402 -12.4367 -12.0555 -12.0506 -4.4141 -4.3877 -2.6719 -2.6539 -1.4395 -1.4187 -1.1538 -1.1424 -0.5073 -0.4035 0.0847 0.0971 0.5323 0.6446 1.5334 1.5415 1.8716 1.9010 2.1270 2.1437 2.6617 2.6749 2.7697 2.8574 3.1736 3.1923 3.3406 3.3783 3.5487 3.6678 3.9840 4.0307 4.5819 4.5900 4.7591 4.7952 4.8818 4.9959 9.1030 9.4063 11.0016 11.6258 12.0142 12.3911 12.6402 12.7421 13.1326 13.1617 k = 0.2922 0.1742 0.3498 ( 3660 PWs) bands (ev): -14.2972 -14.2971 -14.0576 -14.0380 -12.8968 -12.8838 -12.5814 -12.5761 -12.4635 -12.4603 -12.0667 -12.0618 -4.4577 -4.4323 -2.6356 -2.6163 -1.4646 -1.4426 -1.1711 -1.1603 -0.4800 -0.3751 0.1332 0.1463 0.5376 0.6505 1.5163 1.5232 1.8699 1.8961 2.1427 2.1566 2.6477 2.6618 2.7701 2.8634 3.1759 3.1957 3.2986 3.3329 3.5461 3.6686 4.0348 4.0767 4.5944 4.6025 4.7626 4.7925 4.8845 5.0078 9.1145 9.4213 11.0127 11.6339 12.0274 12.4135 12.6350 12.7362 13.1340 13.1613 k = 0.3039 0.1812 0.3498 ( 3662 PWs) bands (ev): -14.2650 -14.2649 -14.0381 -14.0183 -12.9214 -12.9085 -12.5898 -12.5842 -12.4853 -12.4823 -12.0777 -12.0728 -4.5000 -4.4755 -2.5987 -2.5781 -1.4905 -1.4676 -1.1886 -1.1782 -0.4519 -0.3468 0.1851 0.1988 0.5430 0.6560 1.4979 1.5042 1.8676 1.8906 2.1575 2.1685 2.6315 2.6458 2.7621 2.8559 3.1772 3.1993 3.2638 3.2927 3.5523 3.6750 4.0851 4.1224 4.6049 4.6128 4.7634 4.7861 4.8929 5.0221 9.1254 9.4340 11.0259 11.6427 12.0399 12.4349 12.6290 12.7298 13.1343 13.1613 k = 0.3156 0.1882 0.3498 ( 3659 PWs) bands (ev): -14.2318 -14.2317 -14.0187 -13.9989 -12.9477 -12.9352 -12.5987 -12.5927 -12.5054 -12.5026 -12.0885 -12.0836 -4.5406 -4.5173 -2.5611 -2.5394 -1.5163 -1.4930 -1.2065 -1.1963 -0.4232 -0.3187 0.2396 0.2540 0.5482 0.6609 1.4782 1.4847 1.8650 1.8849 2.1706 2.1790 2.6128 2.6266 2.7474 2.8371 3.1749 3.1993 3.2373 3.2616 3.5684 3.6878 4.1335 4.1669 4.6129 4.6204 4.7628 4.7783 4.9053 5.0379 9.1357 9.4443 11.0413 11.6521 12.0517 12.4551 12.6223 12.7228 13.1335 13.1616 k = 0.3273 0.1951 0.3498 ( 3657 PWs) bands (ev): -14.1977 -14.1976 -13.9996 -13.9798 -12.9756 -12.9635 -12.6083 -12.6017 -12.5238 -12.5210 -12.0990 -12.0941 -4.5796 -4.5574 -2.5231 -2.5003 -1.5415 -1.5180 -1.2251 -1.2145 -0.3940 -0.2910 0.2960 0.3112 0.5533 0.6652 1.4571 1.4647 1.8622 1.8791 2.1812 2.1880 2.5911 2.6037 2.7286 2.8110 3.1643 3.1842 3.2249 3.2469 3.5938 3.7066 4.1795 4.2095 4.6178 4.6247 4.7608 4.7720 4.9200 5.0547 9.1455 9.4520 11.0586 11.6616 12.0631 12.4740 12.6149 12.7153 13.1318 13.1621 k = 0.3390 0.2021 0.3498 ( 3658 PWs) bands (ev): -14.1628 -14.1627 -13.9809 -13.9613 -13.0047 -12.9933 -12.6185 -12.6113 -12.5406 -12.5374 -12.1092 -12.1044 -4.6168 -4.5957 -2.4845 -2.4610 -1.5656 -1.5421 -1.2445 -1.2329 -0.3646 -0.2638 0.3536 0.3696 0.5581 0.6685 1.4349 1.4443 1.8595 1.8731 2.1881 2.1959 2.5662 2.5773 2.7085 2.7819 3.1446 3.1554 3.2259 3.2473 3.6266 3.7304 4.2226 4.2498 4.6191 4.6257 4.7573 4.7699 4.9360 5.0719 9.1549 9.4572 11.0779 11.6707 12.0746 12.4912 12.6066 12.7072 13.1292 13.1627 k = 0.3507 0.2091 0.3498 ( 3660 PWs) bands (ev): -14.1271 -14.1271 -13.9628 -13.9436 -13.0347 -13.0241 -12.6296 -12.6214 -12.5555 -12.5519 -12.1190 -12.1143 -4.6521 -4.6322 -2.4455 -2.4215 -1.5882 -1.5650 -1.2647 -1.2516 -0.3352 -0.2374 0.4117 0.4285 0.5628 0.6708 1.4117 1.4236 1.8565 1.8668 2.1908 2.2022 2.5386 2.5486 2.6887 2.7528 3.1186 3.1258 3.2324 3.2543 3.6646 3.7579 4.2625 4.2875 4.6167 4.6234 4.7538 4.7711 4.9526 5.0890 9.1640 9.4598 11.0991 11.6788 12.0866 12.5067 12.5975 12.6986 13.1260 13.1634 k = 0.3623 0.2160 0.3498 ( 3661 PWs) bands (ev): -14.0908 -14.0907 -13.9455 -13.9268 -13.0652 -13.0557 -12.6415 -12.6321 -12.5687 -12.5644 -12.1284 -12.1238 -4.6853 -4.6667 -2.4062 -2.3820 -1.6089 -1.5863 -1.2856 -1.2705 -0.3060 -0.2121 0.4689 0.4869 0.5684 0.6719 1.3875 1.4026 1.8530 1.8599 2.1894 2.2058 2.5096 2.5195 2.6700 2.7252 3.0886 3.1004 3.2415 3.2637 3.7057 3.7878 4.2990 4.3223 4.6114 4.6181 4.7519 4.7741 4.9696 5.1057 9.1730 9.4597 11.1222 11.6851 12.0997 12.5203 12.5875 12.6893 13.1222 13.1640 k = 0.3740 0.2230 0.3498 ( 3659 PWs) bands (ev): -14.0541 -14.0539 -13.9291 -13.9112 -13.0959 -13.0875 -12.6543 -12.6436 -12.5801 -12.5751 -12.1373 -12.1329 -4.7165 -4.6991 -2.3668 -2.3428 -1.6275 -1.6057 -1.3069 -1.2898 -0.2775 -0.1882 0.5200 0.5428 0.5804 0.6722 1.3626 1.3815 1.8484 1.8520 2.1839 2.2060 2.4812 2.4923 2.6522 2.6997 3.0596 3.0777 3.2523 3.2744 3.7479 3.8189 4.3317 4.3538 4.6042 4.6106 4.7516 4.7780 4.9867 5.1218 9.1820 9.4569 11.1469 11.6890 12.1144 12.5315 12.5769 12.6794 13.1179 13.1646 k = 0.3857 0.2300 0.3498 ( 3659 PWs) bands (ev): -14.0174 -14.0170 -13.9137 -13.8969 -13.1262 -13.1190 -12.6677 -12.6558 -12.5899 -12.5841 -12.1458 -12.1415 -4.7454 -4.7294 -2.3274 -2.3041 -1.6438 -1.6229 -1.3285 -1.3092 -0.2499 -0.1661 0.5469 0.5954 0.6148 0.6730 1.3372 1.3606 1.8413 1.8434 2.1746 2.2023 2.4560 2.4682 2.6351 2.6761 3.0336 3.0580 3.2639 3.2856 3.7898 3.8501 4.3606 4.3817 4.5961 4.6021 4.7523 4.7820 5.0038 5.1369 9.1910 9.4517 11.1732 11.6897 12.1313 12.5395 12.5661 12.6690 13.1133 13.1653 k = 0.3974 0.2369 0.3498 ( 3666 PWs) bands (ev): -13.9814 -13.9806 -13.8990 -13.8835 -13.1556 -13.1498 -12.6817 -12.6686 -12.5981 -12.5916 -12.1537 -12.1495 -4.7720 -4.7573 -2.2882 -2.2662 -1.6577 -1.6376 -1.3502 -1.3287 -0.2235 -0.1462 0.5528 0.6414 0.6583 0.6865 1.3115 1.3401 1.8299 1.8344 2.1622 2.1942 2.4359 2.4483 2.6188 2.6545 3.0118 3.0418 3.2762 3.2971 3.8301 3.8804 4.3849 4.4052 4.5883 4.5940 4.7534 4.7856 5.0210 5.1509 9.2002 9.4439 11.2010 11.6869 12.1507 12.5406 12.5586 12.6584 13.1084 13.1660 k = 0.4091 0.2439 0.3498 ( 3662 PWs) bands (ev): -13.9480 -13.9465 -13.8835 -13.8701 -13.1838 -13.1793 -12.6960 -12.6819 -12.6050 -12.5978 -12.1611 -12.1571 -4.7962 -4.7829 -2.2495 -2.2295 -1.6690 -1.6496 -1.3716 -1.3479 -0.1988 -0.1288 0.5526 0.6498 0.7079 0.7306 1.2858 1.3203 1.8156 1.8230 2.1474 2.1819 2.4218 2.4328 2.6037 2.6350 2.9947 3.0297 3.2886 3.3087 3.8678 3.9092 4.4042 4.4236 4.5816 4.5881 4.7543 4.7884 5.0382 5.1638 9.2096 9.4338 11.2301 11.6802 12.1728 12.5306 12.5579 12.6479 13.1035 13.1668 k = 0.4208 0.2509 0.3498 ( 3663 PWs) bands (ev): -13.9217 -13.9187 -13.8633 -13.8530 -13.2102 -13.2067 -12.7105 -12.6955 -12.6107 -12.6029 -12.1679 -12.1640 -4.8180 -4.8060 -2.2117 -2.1946 -1.6780 -1.6585 -1.3923 -1.3666 -0.1761 -0.1144 0.5493 0.6446 0.7593 0.7809 1.2603 1.3014 1.7984 1.8083 2.1307 2.1655 2.4141 2.4220 2.5906 2.6181 2.9826 3.0221 3.3011 3.3200 3.9021 3.9357 4.4177 4.4360 4.5772 4.5857 4.7545 4.7903 5.0555 5.1754 9.2193 9.4215 11.2603 11.6696 12.1974 12.5153 12.5577 12.6378 13.0987 13.1676 k = 0.4325 0.2578 0.3498 ( 3660 PWs) bands (ev): -13.9070 -13.9026 -13.8343 -13.8275 -13.2347 -13.2313 -12.7250 -12.7094 -12.6153 -12.6069 -12.1741 -12.1703 -4.8372 -4.8265 -2.1753 -2.1620 -1.6849 -1.6644 -1.4117 -1.3841 -0.1559 -0.1033 0.5437 0.6361 0.8084 0.8295 1.2354 1.2836 1.7787 1.7905 2.1122 2.1453 2.4123 2.4168 2.5801 2.6043 2.9758 3.0188 3.3135 3.3310 3.9324 3.9594 4.4251 4.4417 4.5760 4.5876 4.7538 4.7909 5.0727 5.1857 9.2294 9.4073 11.2912 11.6554 12.2244 12.4974 12.5547 12.6288 13.0941 13.1683 k = 0.4442 0.2648 0.3498 ( 3658 PWs) bands (ev): -13.9021 -13.8981 -13.7989 -13.7942 -13.2568 -13.2525 -12.7393 -12.7233 -12.6189 -12.6100 -12.1796 -12.1759 -4.8538 -4.8444 -2.1408 -2.1322 -1.6898 -1.6674 -1.4289 -1.3996 -0.1383 -0.0959 0.5358 0.6254 0.8541 0.8750 1.2114 1.2669 1.7569 1.7702 2.0912 2.1212 2.4143 2.4201 2.5731 2.5941 2.9741 3.0199 3.3254 3.3416 3.9582 3.9798 4.4265 4.4412 4.5781 4.5935 4.7520 4.7902 5.0898 5.1946 9.2400 9.3914 11.3226 11.6379 12.2532 12.4774 12.5483 12.6212 13.0899 13.1689 k = 0.4559 0.2718 0.3498 ( 3661 PWs) bands (ev): -13.9042 -13.9016 -13.7607 -13.7569 -13.2760 -13.2702 -12.7534 -12.7371 -12.6216 -12.6122 -12.1845 -12.1808 -4.8678 -4.8596 -2.1091 -2.1057 -1.6931 -1.6683 -1.4427 -1.4121 -0.1238 -0.0924 0.5255 0.6130 0.8958 0.9165 1.1886 1.2512 1.7338 1.7482 2.0673 2.0935 2.4211 2.4312 2.5699 2.5877 2.9771 3.0251 3.3369 3.3515 3.9795 3.9965 4.4229 4.4357 4.5827 4.6019 4.7488 4.7882 5.1069 5.2020 9.2509 9.3740 11.3540 11.6178 12.2832 12.4556 12.5387 12.6149 13.0863 13.1693 k = 0.5000 0.2981-0.1492 ( 3662 PWs) bands (ev): -13.9939 -13.9939 -13.5618 -13.5618 -13.2574 -13.2574 -12.8969 -12.8969 -12.6844 -12.6844 -12.0747 -12.0747 -5.0737 -5.0737 -1.8704 -1.8704 -1.4123 -1.4123 -1.3881 -1.3881 -0.0703 -0.0703 0.4401 0.4401 0.5891 0.5891 1.1689 1.1689 1.6429 1.6429 2.0820 2.0820 2.2738 2.2738 2.7531 2.7531 2.9994 2.9994 3.7094 3.7094 3.7885 3.7885 4.4649 4.4649 4.6369 4.6369 4.8042 4.8042 5.0601 5.0601 9.3224 9.3224 11.4483 11.4483 12.3525 12.3525 12.4958 12.4958 13.4327 13.4327 k = 0.5068 0.2868-0.1492 ( 3658 PWs) bands (ev): -13.9937 -13.9934 -13.5631 -13.5630 -13.2567 -13.2564 -12.8968 -12.8965 -12.6844 -12.6843 -12.0750 -12.0746 -5.0732 -5.0732 -1.8733 -1.8730 -1.4125 -1.4120 -1.3870 -1.3868 -0.0805 -0.0627 0.4384 0.4440 0.5866 0.5933 1.1682 1.1685 1.6380 1.6423 2.0839 2.0841 2.2752 2.2756 2.7522 2.7526 3.0000 3.0007 3.7088 3.7105 3.7874 3.7891 4.4642 4.4663 4.6370 4.6372 4.8031 4.8032 5.0603 5.0604 9.3227 9.3239 11.4447 11.4524 12.3480 12.3557 12.4952 12.4982 13.4290 13.4317 k = 0.5135 0.2755-0.1492 ( 3660 PWs) bands (ev): -13.9928 -13.9922 -13.5670 -13.5668 -13.2543 -13.2537 -12.8962 -12.8957 -12.6844 -12.6843 -12.0752 -12.0744 -5.0719 -5.0719 -1.8817 -1.8809 -1.4131 -1.4122 -1.3830 -1.3828 -0.0931 -0.0579 0.4389 0.4501 0.5857 0.5987 1.1664 1.1671 1.6280 1.6364 2.0898 2.0901 2.2799 2.2806 2.7500 2.7508 3.0028 3.0041 3.7085 3.7120 3.7858 3.7891 4.4641 4.4682 4.6375 4.6381 4.7999 4.8001 5.0609 5.0612 9.3247 9.3271 11.4415 11.4569 12.3424 12.3575 12.4962 12.5024 13.4206 13.4259 k = 0.5203 0.2641-0.1492 ( 3656 PWs) bands (ev): -13.9913 -13.9903 -13.5734 -13.5731 -13.2503 -13.2496 -12.8951 -12.8942 -12.6844 -12.6843 -12.0756 -12.0744 -5.0697 -5.0697 -1.8950 -1.8939 -1.4152 -1.4140 -1.3755 -1.3752 -0.1077 -0.0560 0.4415 0.4581 0.5866 0.6051 1.1637 1.1647 1.6133 1.6258 2.0992 2.0995 2.2877 2.2888 2.7465 2.7476 3.0076 3.0095 3.7087 3.7140 3.7839 3.7886 4.4644 4.4707 4.6384 4.6395 4.7946 4.7950 5.0619 5.0623 9.3282 9.3321 11.4388 11.4618 12.3358 12.3582 12.4987 12.5081 13.4078 13.4155 k = 0.5270 0.2528-0.1492 ( 3654 PWs) bands (ev): -13.9891 -13.9877 -13.5819 -13.5816 -13.2451 -13.2441 -12.8935 -12.8923 -12.6844 -12.6843 -12.0759 -12.0744 -5.0667 -5.0666 -1.9125 -1.9110 -1.4192 -1.4178 -1.3647 -1.3644 -0.1241 -0.0571 0.4461 0.4681 0.5891 0.6120 1.1603 1.1615 1.5949 1.6113 2.1116 2.1117 2.2986 2.3001 2.7418 2.7432 3.0145 3.0166 3.7091 3.7163 3.7817 3.7875 4.4649 4.4737 4.6399 4.6416 4.7874 4.7880 5.0632 5.0636 9.3333 9.3388 11.4367 11.4670 12.3287 12.3578 12.5025 12.5152 13.3907 13.4007 k = 0.5338 0.2415-0.1492 ( 3654 PWs) bands (ev): -13.9862 -13.9845 -13.5925 -13.5921 -13.2387 -13.2375 -12.8913 -12.8899 -12.6844 -12.6842 -12.0764 -12.0744 -5.0628 -5.0627 -1.9335 -1.9318 -1.4248 -1.4234 -1.3514 -1.3510 -0.1420 -0.0611 0.4524 0.4796 0.5928 0.6188 1.1563 1.1578 1.5738 1.5940 2.1260 2.1262 2.3125 2.3144 2.7359 2.7377 3.0233 3.0253 3.7096 3.7188 3.7791 3.7858 4.4655 4.4770 4.6419 4.6446 4.7784 4.7792 5.0647 5.0652 9.3397 9.3473 11.4350 11.4724 12.3212 12.3567 12.5073 12.5233 13.3697 13.3817 k = 0.5405 0.2302-0.1492 ( 3659 PWs) bands (ev): -13.9826 -13.9805 -13.6049 -13.6045 -13.2314 -13.2301 -12.8887 -12.8871 -12.6842 -12.6840 -12.0769 -12.0745 -5.0580 -5.0579 -1.9573 -1.9553 -1.4319 -1.4306 -1.3362 -1.3359 -0.1613 -0.0680 0.4599 0.4925 0.5973 0.6250 1.1523 1.1539 1.5509 1.5749 2.1419 2.1427 2.3293 2.3315 2.7291 2.7311 3.0338 3.0355 3.7101 3.7215 3.7765 3.7835 4.4659 4.4803 4.6447 4.6485 4.7679 4.7689 5.0662 5.0667 9.3473 9.3573 11.4338 11.4780 12.3137 12.3551 12.5131 12.5322 13.3454 13.3590 k = 0.5473 0.2188-0.1492 ( 3657 PWs) bands (ev): -13.9784 -13.9760 -13.6190 -13.6185 -13.2236 -13.2220 -12.8856 -12.8837 -12.6839 -12.6836 -12.0774 -12.0747 -5.0524 -5.0523 -1.9832 -1.9810 -1.4402 -1.4391 -1.3199 -1.3195 -0.1816 -0.0775 0.4680 0.5062 0.6024 0.6299 1.1485 1.1502 1.5271 1.5550 2.1590 2.1604 2.3488 2.3513 2.7215 2.7237 3.0461 3.0470 3.7103 3.7241 3.7738 3.7806 4.4659 4.4836 4.6481 4.6535 4.7562 4.7573 5.0678 5.0682 9.3559 9.3689 11.4332 11.4838 12.3064 12.3533 12.5195 12.5416 13.3180 13.3330 k = 0.5540 0.2075-0.1492 ( 3655 PWs) bands (ev): -13.9735 -13.9708 -13.6344 -13.6340 -13.2153 -13.2137 -12.8820 -12.8798 -12.6833 -12.6831 -12.0780 -12.0748 -5.0460 -5.0458 -2.0107 -2.0084 -1.4496 -1.4488 -1.3029 -1.3024 -0.2028 -0.0895 0.4762 0.5202 0.6073 0.6330 1.1456 1.1473 1.5034 1.5351 2.1770 2.1790 2.3706 2.3735 2.7133 2.7157 3.0595 3.0598 3.7100 3.7265 3.7712 3.7772 4.4653 4.4864 4.6523 4.6595 4.7435 4.7446 5.0691 5.0695 9.3653 9.3819 11.4332 11.4895 12.2995 12.3514 12.5265 12.5515 13.2881 13.3041 k = 0.5608 0.1962-0.1492 ( 3657 PWs) bands (ev): -13.9680 -13.9649 -13.6511 -13.6507 -13.2069 -13.2051 -12.8780 -12.8755 -12.6825 -12.6822 -12.0786 -12.0751 -5.0387 -5.0385 -2.0394 -2.0369 -1.4600 -1.4597 -1.2855 -1.2849 -0.2248 -0.1035 0.4833 0.5337 0.6117 0.6337 1.1441 1.1457 1.4806 1.5162 2.1958 2.1984 2.3945 2.3977 2.7048 2.7074 3.0729 3.0748 3.7089 3.7283 3.7689 3.7735 4.4639 4.4886 4.6567 4.6663 4.7305 4.7314 5.0702 5.0705 9.3752 9.3962 11.4336 11.4951 12.2933 12.3497 12.5340 12.5615 13.2563 13.2728 k = 0.5675 0.1849-0.1492 ( 3661 PWs) bands (ev): -13.9619 -13.9585 -13.6689 -13.6686 -13.1985 -13.1966 -12.8735 -12.8707 -12.6813 -12.6810 -12.0792 -12.0753 -5.0306 -5.0304 -2.0688 -2.0661 -1.4715 -1.4712 -1.2679 -1.2671 -0.2475 -0.1195 0.4886 0.5461 0.6149 0.6313 1.1450 1.1463 1.4594 1.4988 2.2152 2.2184 2.4198 2.4234 2.6967 2.6992 3.0869 3.0910 3.7069 3.7291 3.7670 3.7699 4.4616 4.4900 4.6603 4.6727 4.7187 4.7187 5.0710 5.0711 9.3854 9.4115 11.4347 11.5004 12.2878 12.3483 12.5418 12.5716 13.2229 13.2396 k = 0.5743 0.1735-0.1492 ( 3665 PWs) bands (ev): -13.9551 -13.9514 -13.6878 -13.6875 -13.1903 -13.1883 -12.8685 -12.8655 -12.6797 -12.6793 -12.0799 -12.0756 -5.0218 -5.0215 -2.0986 -2.0958 -1.4842 -1.4831 -1.2502 -1.2494 -0.2706 -0.1372 0.4910 0.5565 0.6166 0.6257 1.1488 1.1498 1.4404 1.4836 2.2351 2.2388 2.4457 2.4498 2.6895 2.6920 3.1014 3.1080 3.7037 3.7285 3.7656 3.7667 4.4583 4.4904 4.6600 4.6751 4.7106 4.7111 5.0713 5.0714 9.3956 9.4278 11.4363 11.5053 12.2832 12.3474 12.5501 12.5817 13.1885 13.2051 k = 0.5810 0.1622-0.1492 ( 3669 PWs) bands (ev): -13.9478 -13.9437 -13.7076 -13.7073 -13.1824 -13.1803 -12.8631 -12.8598 -12.6775 -12.6771 -12.0806 -12.0759 -5.0121 -5.0118 -2.1286 -2.1256 -1.4976 -1.4956 -1.2327 -1.2316 -0.2943 -0.1563 0.4898 0.5639 0.6161 0.6163 1.1564 1.1569 1.4242 1.4710 2.2556 2.2598 2.4710 2.4755 2.6847 2.6869 3.1161 3.1257 3.6994 3.7258 3.7643 3.7646 4.4541 4.4897 4.6525 4.6677 4.7112 4.7125 5.0709 5.0713 9.4056 9.4448 11.4385 11.5096 12.2798 12.3472 12.5586 12.5918 13.1536 13.1697 k = 0.5878 0.1509-0.1492 ( 3669 PWs) bands (ev): -13.9400 -13.9355 -13.7283 -13.7281 -13.1750 -13.1728 -12.8572 -12.8537 -12.6748 -12.6743 -12.0813 -12.0763 -5.0016 -5.0013 -2.1584 -2.1554 -1.5116 -1.5086 -1.2151 -1.2140 -0.3183 -0.1766 0.4842 0.5676 0.6033 0.6129 1.1683 1.1685 1.4112 1.4615 2.2766 2.2811 2.4935 2.4986 2.6841 2.6860 3.1307 3.1438 3.6941 3.7209 3.7631 3.7640 4.4489 4.4880 4.6386 4.6532 4.7181 4.7219 5.0701 5.0708 9.4149 9.4624 11.4413 11.5133 12.2775 12.3477 12.5674 12.6019 13.1186 13.1338 k = 0.5945 0.1396-0.1492 ( 3675 PWs) bands (ev): -13.9316 -13.9268 -13.7498 -13.7496 -13.1682 -13.1659 -12.8509 -12.8472 -12.6713 -12.6708 -12.0820 -12.0766 -4.9904 -4.9900 -2.1880 -2.1849 -1.5260 -1.5218 -1.1977 -1.1963 -0.3427 -0.1981 0.4741 0.5664 0.5871 0.6067 1.1843 1.1854 1.4016 1.4550 2.2982 2.3029 2.5106 2.5163 2.6904 2.6918 3.1451 3.1622 3.6878 3.7139 3.7628 3.7636 4.4428 4.4852 4.6211 4.6359 4.7289 4.7342 5.0687 5.0697 9.4233 9.4802 11.4447 11.5160 12.2766 12.3490 12.5765 12.6119 13.0840 13.0979 k = 0.6013 0.1282-0.1492 ( 3679 PWs) bands (ev): -13.9226 -13.9175 -13.7720 -13.7718 -13.1620 -13.1597 -12.8442 -12.8403 -12.6671 -12.6665 -12.0827 -12.0770 -4.9784 -4.9780 -2.2171 -2.2139 -1.5408 -1.5354 -1.1803 -1.1787 -0.3673 -0.2204 0.4593 0.5572 0.5708 0.5971 1.2051 1.2073 1.3957 1.4515 2.3203 2.3251 2.5199 2.5260 2.7057 2.7068 3.1591 3.1807 3.6808 3.7053 3.7629 3.7634 4.4358 4.4815 4.6015 4.6173 4.7418 4.7480 5.0667 5.0680 9.4306 9.4982 11.4486 11.5177 12.2772 12.3514 12.5859 12.6219 13.0500 13.0625 k = 0.6080 0.1169-0.1492 ( 3683 PWs) bands (ev): -13.9133 -13.9078 -13.7948 -13.7947 -13.1567 -13.1543 -12.8371 -12.8330 -12.6620 -12.6614 -12.0834 -12.0773 -4.9657 -4.9652 -2.2456 -2.2424 -1.5558 -1.5490 -1.1628 -1.1610 -0.3922 -0.2436 0.4400 0.5363 0.5583 0.5841 1.2305 1.2340 1.3933 1.4510 2.3428 2.3477 2.5214 2.5276 2.7300 2.7310 3.1724 3.1989 3.6732 3.6954 3.7631 3.7633 4.4280 4.4769 4.5807 4.5979 4.7561 4.7626 5.0641 5.0658 9.4364 9.5160 11.4528 11.5182 12.2794 12.3548 12.5956 12.6320 13.0170 13.0279 k = 0.6148 0.1056-0.1492 ( 3683 PWs) bands (ev): -13.9034 -13.8976 -13.8183 -13.8182 -13.1522 -13.1498 -12.8297 -12.8254 -12.6560 -12.6553 -12.0841 -12.0776 -4.9523 -4.9517 -2.2734 -2.2703 -1.5709 -1.5626 -1.1453 -1.1433 -0.4173 -0.2674 0.4166 0.5095 0.5446 0.5678 1.2597 1.2654 1.3947 1.4532 2.3657 2.3705 2.5167 2.5230 2.7615 2.7625 3.1847 3.2168 3.6653 3.6845 3.7629 3.7638 4.4193 4.4716 4.5588 4.5779 4.7712 4.7778 5.0609 5.0630 9.4405 9.5334 11.4574 11.5173 12.2834 12.3593 12.6056 12.6423 12.9855 12.9944 k = 0.6215 0.0943-0.1492 ( 3681 PWs) bands (ev): -13.8933 -13.8871 -13.8423 -13.8422 -13.1486 -13.1462 -12.8219 -12.8174 -12.6491 -12.6484 -12.0848 -12.0779 -4.9380 -4.9374 -2.3005 -2.2973 -1.5859 -1.5762 -1.1275 -1.1252 -0.4426 -0.2919 0.3897 0.4792 0.5277 0.5484 1.2920 1.3007 1.3999 1.4578 2.3888 2.3933 2.5082 2.5145 2.7980 2.7991 3.1959 3.2340 3.6573 3.6729 3.7625 3.7642 4.4099 4.4655 4.5362 4.5576 4.7867 4.7931 5.0571 5.0596 9.4428 9.5503 11.4620 11.5149 12.2893 12.3650 12.6161 12.6528 12.9555 12.9624 k = 0.6283 0.0829-0.1492 ( 3669 PWs) bands (ev): -13.8839 -13.8776 -13.8657 -13.8655 -13.1460 -13.1435 -12.8137 -12.8090 -12.6411 -12.6404 -12.0854 -12.0782 -4.9231 -4.9224 -2.3267 -2.3236 -1.6009 -1.5896 -1.1095 -1.1069 -0.4680 -0.3168 0.3597 0.4465 0.5078 0.5264 1.3254 1.3395 1.4098 1.4646 2.4115 2.4155 2.4979 2.5043 2.8378 2.8388 3.2058 3.2504 3.6494 3.6607 3.7621 3.7646 4.3996 4.4588 4.5128 4.5370 4.8025 4.8085 5.0526 5.0555 9.4430 9.5663 11.4664 11.5109 12.2972 12.3718 12.6272 12.6638 12.9273 12.9321 k = 0.6350 0.0716-0.1492 ( 3661 PWs) bands (ev): -13.8943 -13.8935 -13.8695 -13.8633 -13.1443 -13.1418 -12.8052 -12.8004 -12.6322 -12.6314 -12.0860 -12.0785 -4.9074 -4.9066 -2.3520 -2.3490 -1.6156 -1.6027 -1.0912 -1.0882 -0.4934 -0.3422 0.3271 0.4119 0.4850 0.5020 1.3568 1.3809 1.4268 1.4733 2.4320 2.4352 2.4885 2.4954 2.8796 2.8805 3.2140 3.2656 3.6418 3.6483 3.7617 3.7650 4.3885 4.4514 4.4888 4.5164 4.8183 4.8237 5.0476 5.0509 9.4410 9.5813 11.4704 11.5052 12.3074 12.3796 12.6388 12.6752 12.9010 12.9037 k = 0.6418 0.0603-0.1492 ( 3663 PWs) bands (ev): -13.9193 -13.9189 -13.8588 -13.8519 -13.1437 -13.1411 -12.7964 -12.7914 -12.6222 -12.6214 -12.0865 -12.0786 -4.8910 -4.8902 -2.3764 -2.3734 -1.6300 -1.6155 -1.0724 -1.0690 -0.5189 -0.3679 0.2926 0.3758 0.4599 0.4756 1.3823 1.4239 1.4536 1.4841 2.4437 2.4458 2.4873 2.4947 2.9225 2.9233 3.2204 3.2795 3.6347 3.6357 3.7614 3.7655 4.3763 4.4435 4.4643 4.4960 4.8338 4.8385 5.0418 5.0456 9.4369 9.5952 11.4737 11.4977 12.3198 12.3884 12.6512 12.6874 12.8769 12.8772 k = 0.6485 0.0490-0.1492 ( 3667 PWs) bands (ev): -13.9454 -13.9451 -13.8471 -13.8399 -13.1440 -13.1414 -12.7873 -12.7822 -12.6113 -12.6104 -12.0869 -12.0788 -4.8739 -4.8730 -2.3998 -2.3970 -1.6440 -1.6278 -1.0530 -1.0493 -0.5443 -0.3938 0.2565 0.3386 0.4329 0.4475 1.4015 1.4655 1.4898 1.4991 2.4397 2.4419 2.5016 2.5083 2.9658 2.9664 3.2248 3.2916 3.6234 3.6284 3.7613 3.7662 4.3631 4.4344 4.4400 4.4759 4.8489 4.8529 5.0354 5.0397 9.4305 9.6078 11.4760 11.4885 12.3344 12.3979 12.6646 12.7002 12.8529 12.8550 k = 0.6553 0.0376-0.1492 ( 3667 PWs) bands (ev): -13.9721 -13.9717 -13.8351 -13.8275 -13.1453 -13.1426 -12.7779 -12.7727 -12.5993 -12.5984 -12.0872 -12.0788 -4.8561 -4.8551 -2.4223 -2.4196 -1.6576 -1.6398 -1.0331 -1.0288 -0.5697 -0.4198 0.2193 0.3006 0.4043 0.4181 1.4173 1.4944 1.5289 1.5316 2.4283 2.4305 2.5233 2.5294 3.0091 3.0093 3.2270 3.3018 3.6116 3.6230 3.7615 3.7671 4.3486 4.4131 4.4271 4.4565 4.8635 4.8668 5.0284 5.0332 9.4219 9.6189 11.4771 11.4777 12.3513 12.4079 12.6790 12.7138 12.8306 12.8356 k = 0.3447-0.5782-0.0000 ( 3667 PWs) bands (ev): -13.9721 -13.9717 -13.8351 -13.8275 -13.1453 -13.1426 -12.7779 -12.7727 -12.5993 -12.5984 -12.0872 -12.0788 -4.8561 -4.8551 -2.4223 -2.4196 -1.6576 -1.6398 -1.0331 -1.0288 -0.5697 -0.4198 0.2193 0.3006 0.4043 0.4181 1.4173 1.4944 1.5289 1.5316 2.4283 2.4305 2.5233 2.5294 3.0091 3.0093 3.2270 3.3018 3.6116 3.6230 3.7615 3.7671 4.3486 4.4131 4.4271 4.4565 4.8635 4.8668 5.0284 5.0332 9.4219 9.6189 11.4771 11.4777 12.3513 12.4079 12.6790 12.7138 12.8306 12.8356 k = 0.3378-0.5666-0.0000 ( 3659 PWs) bands (ev): -13.9997 -13.9993 -13.8226 -13.8146 -13.1475 -13.1448 -12.7680 -12.7627 -12.5861 -12.5852 -12.0875 -12.0788 -4.8371 -4.8361 -2.4442 -2.4417 -1.6709 -1.6514 -1.0121 -1.0072 -0.5953 -0.4465 0.1807 0.2615 0.3738 0.3869 1.4322 1.5109 1.5734 1.5769 2.4150 2.4169 2.5476 2.5532 3.0524 3.0526 3.2271 3.3099 3.6004 3.6186 3.7621 3.7686 4.3324 4.3869 4.4176 4.4376 4.8777 4.8801 5.0206 5.0259 9.4110 9.6287 11.4650 11.4768 12.3705 12.4185 12.6952 12.7279 12.8100 12.8189 k = 0.3309-0.5550-0.0000 ( 3659 PWs) bands (ev): -14.0277 -14.0273 -13.8098 -13.8014 -13.1507 -13.1479 -12.7579 -12.7525 -12.5720 -12.5711 -12.0876 -12.0786 -4.8174 -4.8163 -2.4652 -2.4628 -1.6836 -1.6625 -0.9904 -0.9847 -0.6207 -0.4732 0.1417 0.2223 0.3423 0.3549 1.4467 1.5249 1.6208 1.6230 2.4019 2.4033 2.5723 2.5776 3.0939 3.0949 3.2249 3.3152 3.5904 3.6153 3.7635 3.7706 4.3148 4.3603 4.4079 4.4199 4.8911 4.8927 5.0122 5.0180 9.3981 9.6368 11.4509 11.4749 12.3913 12.4289 12.7131 12.7406 12.7916 12.8069 k = 0.3240-0.5435-0.0000 ( 3661 PWs) bands (ev): -14.0561 -14.0557 -13.7968 -13.7881 -13.1547 -13.1519 -12.7476 -12.7421 -12.5571 -12.5561 -12.0876 -12.0784 -4.7969 -4.7957 -2.4852 -2.4830 -1.6956 -1.6730 -0.9680 -0.9613 -0.6456 -0.4998 0.1028 0.1832 0.3101 0.3223 1.4611 1.5384 1.6680 1.6686 2.3901 2.3906 2.5968 2.6020 3.1331 3.1354 3.2211 3.3176 3.5819 3.6131 3.7655 3.7734 4.2958 4.3337 4.3979 4.4034 4.9034 4.9043 5.0031 5.0095 9.3833 9.6433 11.4354 11.4713 12.4132 12.4390 12.7324 12.7475 12.7756 12.8041 k = 0.3171-0.5319-0.0000 ( 3663 PWs) bands (ev): -14.0847 -14.0843 -13.7836 -13.7746 -13.1594 -13.1566 -12.7370 -12.7315 -12.5413 -12.5403 -12.0875 -12.0780 -4.7756 -4.7744 -2.5043 -2.5023 -1.7070 -1.6828 -0.9449 -0.9369 -0.6698 -0.5261 0.0641 0.1445 0.2775 0.2894 1.4753 1.5517 1.7127 1.7137 2.3798 2.3803 2.6209 2.6260 3.1678 3.1738 3.2174 3.3170 3.5750 3.6119 3.7684 3.7770 4.2757 4.3073 4.3876 4.3881 4.9147 4.9148 4.9936 5.0004 9.3669 9.6481 11.4190 11.4662 12.4355 12.4485 12.7448 12.7487 12.7668 12.8137 k = 0.3102-0.5203-0.0000 ( 3663 PWs) bands (ev): -14.1136 -14.1131 -13.7704 -13.7611 -13.1650 -13.1621 -12.7263 -12.7208 -12.5248 -12.5238 -12.0872 -12.0775 -4.7536 -4.7522 -2.5225 -2.5207 -1.7177 -1.6921 -0.9215 -0.9115 -0.6931 -0.5521 0.0260 0.1064 0.2446 0.2563 1.4894 1.5649 1.7540 1.7568 2.3718 2.3736 2.6443 2.6493 3.1878 3.2094 3.2238 3.3136 3.5697 3.6117 3.7722 3.7814 4.2550 4.2814 4.3739 4.3770 4.9240 4.9247 4.9835 4.9908 9.3492 9.6513 11.4016 11.4598 12.4572 12.4575 12.7362 12.7426 12.7846 12.8320 k = 0.3033-0.5088-0.0000 ( 3663 PWs) bands (ev): -14.1426 -14.1422 -13.7571 -13.7475 -13.1711 -13.1682 -12.7154 -12.7099 -12.5076 -12.5066 -12.0867 -12.0768 -4.7307 -4.7293 -2.5399 -2.5382 -1.7276 -1.7007 -0.8979 -0.8851 -0.7149 -0.5778 -0.0114 0.0691 0.2118 0.2233 1.5033 1.5778 1.7913 1.7958 2.3677 2.3709 2.6666 2.6715 3.1853 3.2417 3.2481 3.3077 3.5658 3.6121 3.7767 3.7864 4.2344 4.2564 4.3607 4.3661 4.9317 4.9331 4.9733 4.9810 9.3304 9.6530 11.3838 11.4521 12.4648 12.4782 12.7256 12.7313 12.8118 12.8544 k = 0.2964-0.4972-0.0000 ( 3667 PWs) bands (ev): -14.1718 -14.1714 -13.7437 -13.7339 -13.1779 -13.1749 -12.7043 -12.6988 -12.4898 -12.4888 -12.0861 -12.0760 -4.7071 -4.7056 -2.5564 -2.5550 -1.7369 -1.7087 -0.8754 -0.8577 -0.7341 -0.6029 -0.0478 0.0328 0.1792 0.1907 1.5169 1.5904 1.8232 1.8295 2.3686 2.3735 2.6875 2.6924 3.1757 3.2697 3.2751 3.3008 3.5630 3.6130 3.7815 3.7917 4.2144 4.2328 4.3483 4.3551 4.9369 4.9393 4.9639 4.9717 9.3108 9.6533 11.3656 11.4434 12.4713 12.4972 12.7143 12.7207 12.8423 12.8790 k = 0.2896-0.4857-0.0000 ( 3671 PWs) bands (ev): -14.2011 -14.2007 -13.7304 -13.7203 -13.1852 -13.1822 -12.6931 -12.6876 -12.4714 -12.4704 -12.0852 -12.0749 -4.6827 -4.6811 -2.5722 -2.5710 -1.7454 -1.7161 -0.8563 -0.8293 -0.7482 -0.6274 -0.0830 -0.0024 0.1471 0.1586 1.5300 1.6026 1.8486 1.8566 2.3756 2.3821 2.7070 2.7116 3.1643 3.2828 3.2997 3.3034 3.5608 3.6141 3.7862 3.7966 4.1961 4.2115 4.3365 4.3439 4.9363 4.9409 4.9584 4.9649 9.2906 9.6522 11.3473 11.4340 12.4767 12.5137 12.7027 12.7110 12.8752 12.9047 k = 0.2827-0.4741-0.0000 ( 3669 PWs) bands (ev): -14.2305 -14.2300 -13.7172 -13.7068 -13.1930 -13.1900 -12.6818 -12.6764 -12.4526 -12.4516 -12.0842 -12.0738 -4.6574 -4.6558 -2.5873 -2.5863 -1.7533 -1.7230 -0.8458 -0.8002 -0.7522 -0.6511 -0.1169 -0.0364 0.1158 0.1273 1.5427 1.6142 1.8667 1.8762 2.3895 2.3976 2.7246 2.7288 3.1524 3.2748 3.3210 3.3225 3.5589 3.6152 3.7898 3.8003 4.1804 4.1931 4.3253 4.3325 4.9280 4.9352 4.9588 4.9638 9.2703 9.6501 11.3291 11.4243 12.4810 12.5274 12.6907 12.7026 12.9100 12.9310 k = 0.2758-0.4625-0.0000 ( 3669 PWs) bands (ev): -14.2598 -14.2594 -13.7041 -13.6934 -13.2013 -13.1982 -12.6703 -12.6650 -12.4333 -12.4324 -12.0829 -12.0724 -4.6313 -4.6296 -2.6017 -2.6009 -1.7605 -1.7293 -0.8478 -0.7706 -0.7421 -0.6738 -0.1493 -0.0689 0.0856 0.0971 1.5547 1.6252 1.8772 1.8880 2.4104 2.4197 2.7402 2.7435 3.1407 3.2637 3.3390 3.3407 3.5569 3.6161 3.7914 3.8018 4.1684 4.1786 4.3145 4.3211 4.9159 4.9243 4.9613 4.9657 9.2499 9.6469 11.3113 11.4143 12.4841 12.5378 12.6781 12.6955 12.9457 12.9572 k = 0.2689-0.4510-0.0000 ( 3673 PWs) bands (ev): -14.2892 -14.2887 -13.6911 -13.6801 -13.2099 -13.2069 -12.6588 -12.6536 -12.4137 -12.4128 -12.0814 -12.0708 -4.6044 -4.6027 -2.6155 -2.6150 -1.7671 -1.7352 -0.8588 -0.7416 -0.7214 -0.6945 -0.1801 -0.1000 0.0567 0.0684 1.5659 1.6354 1.8808 1.8923 2.4376 2.4480 2.7535 2.7554 3.1298 3.2521 3.3536 3.3558 3.5544 3.6167 3.7899 3.8001 4.1609 4.1689 4.3042 4.3096 4.9023 4.9114 4.9635 4.9679 9.2299 9.6430 11.2941 11.4044 12.4860 12.5447 12.6649 12.6899 12.9816 12.9829 k = 0.2620-0.4394-0.0000 ( 3667 PWs) bands (ev): -14.3184 -14.3179 -13.6782 -13.6671 -13.2189 -13.2158 -12.6472 -12.6421 -12.3938 -12.3930 -12.0797 -12.0691 -4.5767 -4.5749 -2.6288 -2.6285 -1.7731 -1.7406 -0.8736 -0.7266 -0.6999 -0.6957 -0.2091 -0.1294 0.0297 0.0414 1.5763 1.6447 1.8781 1.8900 2.4699 2.4813 2.7642 2.7643 3.1204 3.2409 3.3651 3.3679 3.5512 3.6166 3.7847 3.7945 4.1586 4.1645 4.2942 4.2982 4.8876 4.8972 4.9649 4.9694 9.2105 9.6384 11.2775 11.3949 12.4869 12.5477 12.6507 12.6860 13.0076 13.0167 k = 0.2551-0.4278-0.0000 ( 3671 PWs) bands (ev): -14.3475 -14.3471 -13.6656 -13.6543 -13.2282 -13.2251 -12.6356 -12.6306 -12.3737 -12.3729 -12.0777 -12.0671 -4.5482 -4.5464 -2.6416 -2.6415 -1.7786 -1.7456 -0.8895 -0.7420 -0.6742 -0.6681 -0.2362 -0.1571 0.0049 0.0167 1.5857 1.6531 1.8704 1.8824 2.5059 2.5182 2.7698 2.7725 3.1128 3.2303 3.3735 3.3769 3.5472 3.6159 3.7755 3.7849 4.1614 4.1654 4.2847 4.2869 4.8722 4.8822 4.9653 4.9700 9.1919 9.6333 11.2618 11.3858 12.4868 12.5469 12.6355 12.6837 13.0310 13.0504 k = 0.2482-0.4163-0.0000 ( 3673 PWs) bands (ev): -14.3765 -14.3760 -13.6533 -13.6418 -13.2377 -13.2346 -12.6239 -12.6191 -12.3534 -12.3526 -12.0756 -12.0649 -4.5189 -4.5170 -2.6540 -2.6539 -1.7836 -1.7503 -0.9053 -0.7607 -0.6448 -0.6400 -0.2612 -0.1829 -0.0170 -0.0051 1.5940 1.6603 1.8586 1.8705 2.5441 2.5574 2.7721 2.7781 3.1073 3.2206 3.3792 3.3830 3.5423 3.6144 3.7627 3.7718 4.1688 4.1713 4.2755 4.2757 4.8561 4.8663 4.9647 4.9694 9.1743 9.6280 11.2471 11.3772 12.4856 12.5424 12.6190 12.6828 13.0529 13.0820 k = 0.2413-0.4047-0.0000 ( 3675 PWs) bands (ev): -14.4052 -14.4047 -13.6412 -13.6296 -13.2474 -13.2443 -12.6122 -12.6076 -12.3330 -12.3322 -12.0732 -12.0625 -4.4889 -4.4869 -2.6661 -2.6658 -1.7882 -1.7547 -0.9206 -0.7791 -0.6163 -0.6128 -0.2838 -0.2067 -0.0352 -0.0233 1.6011 1.6664 1.8438 1.8553 2.5827 2.5975 2.7716 2.7813 3.1038 3.2119 3.3823 3.3863 3.5365 3.6119 3.7471 3.7560 4.1799 4.1811 4.2649 4.2668 4.8394 4.8498 4.9631 4.9678 9.1580 9.6225 11.2334 11.3695 12.4835 12.5346 12.6012 12.6828 13.0732 13.1108 k = 0.2344-0.3931-0.0000 ( 3673 PWs) bands (ev): -14.4336 -14.4331 -13.6295 -13.6177 -13.2573 -13.2542 -12.6005 -12.5960 -12.3125 -12.3117 -12.0705 -12.0599 -4.4580 -4.4561 -2.6779 -2.6774 -1.7924 -1.7589 -0.9350 -0.7966 -0.5899 -0.5875 -0.3038 -0.2284 -0.0488 -0.0371 1.6068 1.6711 1.8266 1.8377 2.6198 2.6371 2.7695 2.7824 3.1022 3.2043 3.3827 3.3866 3.5301 3.6086 3.7299 3.7387 4.1936 4.1938 4.2545 4.2586 4.8221 4.8326 4.9604 4.9652 9.1431 9.6171 11.2208 11.3626 12.4804 12.5240 12.5819 12.6834 13.0919 13.1365 k = 0.2275-0.3816-0.0000 ( 3667 PWs) bands (ev): -14.4618 -14.4613 -13.6181 -13.6062 -13.2673 -13.2642 -12.5888 -12.5845 -12.2920 -12.2912 -12.0676 -12.0572 -4.4264 -4.4244 -2.6893 -2.6886 -1.7963 -1.7629 -0.9485 -0.8133 -0.5668 -0.5654 -0.3210 -0.2478 -0.0568 -0.0455 1.6111 1.6744 1.8077 1.8182 2.6524 2.6743 2.7683 2.7826 3.1021 3.1975 3.3805 3.3839 3.5232 3.6043 3.7125 3.7210 4.2083 4.2087 4.2448 4.2512 4.8043 4.8149 4.9568 4.9615 9.1299 9.6119 11.2094 11.3565 12.4763 12.5111 12.5613 12.6838 13.1089 13.1590 k = 0.2206-0.3700-0.0000 ( 3663 PWs) bands (ev): -14.4895 -14.4891 -13.6071 -13.5951 -13.2773 -13.2743 -12.5771 -12.5731 -12.2715 -12.2708 -12.0645 -12.0542 -4.3941 -4.3921 -2.7004 -2.6995 -1.7999 -1.7668 -0.9609 -0.8291 -0.5485 -0.5478 -0.3348 -0.2646 -0.0580 -0.0473 1.6138 1.6761 1.7875 1.7973 2.6756 2.7058 2.7725 2.7846 3.1030 3.1914 3.3756 3.3779 3.5162 3.5991 3.6958 3.7041 4.2222 4.2232 4.2373 4.2457 4.7859 4.7965 4.9521 4.9567 9.1184 9.6070 11.1992 11.3514 12.4712 12.4963 12.5393 12.6837 13.1244 13.1780 k = 0.2137-0.3585-0.0000 ( 3655 PWs) bands (ev): -14.5169 -14.5164 -13.5965 -13.5844 -13.2875 -13.2845 -12.5655 -12.5617 -12.2510 -12.2504 -12.0613 -12.0510 -4.3611 -4.3591 -2.7112 -2.7102 -1.8033 -1.7706 -0.9723 -0.8442 -0.5360 -0.5355 -0.3451 -0.2789 -0.0517 -0.0418 1.6147 1.6761 1.7665 1.7755 2.6843 2.7249 2.7868 2.7945 3.1044 3.1855 3.3681 3.3688 3.5093 3.5932 3.6810 3.6889 4.2233 4.2296 4.2436 4.2490 4.7672 4.7777 4.9465 4.9510 9.1088 9.6025 11.1903 11.3471 12.4647 12.4798 12.5165 12.6827 13.1386 13.1938 k = 0.2068-0.3469-0.0000 ( 3647 PWs) bands (ev): -14.5438 -14.5434 -13.5863 -13.5742 -13.2977 -13.2947 -12.5539 -12.5503 -12.2307 -12.2301 -12.0578 -12.0477 -4.3275 -4.3255 -2.7219 -2.7207 -1.8065 -1.7742 -0.9827 -0.8585 -0.5298 -0.5291 -0.3516 -0.2905 -0.0372 -0.0284 1.6139 1.6742 1.7450 1.7531 2.6809 2.7285 2.8084 2.8148 3.1059 3.1796 3.3570 3.3581 3.5025 3.5867 3.6689 3.6762 4.2162 4.2260 4.2586 4.2625 4.7481 4.7584 4.9401 4.9444 9.1012 9.5985 11.1826 11.3438 12.4555 12.4621 12.4942 12.6804 13.1514 13.2066 k = 0.1999-0.3353-0.0000 ( 3651 PWs) bands (ev): -14.5703 -14.5699 -13.5765 -13.5644 -13.3078 -13.3049 -12.5424 -12.5390 -12.2106 -12.2100 -12.0541 -12.0442 -4.2933 -4.2913 -2.7323 -2.7310 -1.8095 -1.7778 -0.9921 -0.8721 -0.5298 -0.5283 -0.3545 -0.2993 -0.0148 -0.0071 1.6111 1.6704 1.7233 1.7305 2.6708 2.7228 2.8313 2.8384 3.1071 3.1735 3.3432 3.3462 3.4957 3.5797 3.6599 3.6666 4.2091 4.2208 4.2737 4.2772 4.7288 4.7388 4.9328 4.9370 9.0957 9.5952 11.1760 11.3413 12.4409 12.4432 12.4753 12.6767 13.1632 13.2167 k = 0.1930-0.3238-0.0000 ( 3651 PWs) bands (ev): -14.5962 -14.5958 -13.5672 -13.5551 -13.3180 -13.3150 -12.5309 -12.5278 -12.1907 -12.1901 -12.0502 -12.0406 -4.2585 -4.2566 -2.7426 -2.7412 -1.8123 -1.7814 -1.0007 -0.8852 -0.5349 -0.5326 -0.3543 -0.3054 0.0147 0.0215 1.6061 1.6642 1.7018 1.7080 2.6576 2.7126 2.8513 2.8599 3.1076 3.1669 3.3286 3.3333 3.4888 3.5723 3.6545 3.6605 4.2027 4.2159 4.2879 4.2912 4.7093 4.7189 4.9247 4.9287 9.0922 9.5925 11.1707 11.3397 12.4187 12.4235 12.4623 12.6714 13.1741 13.2246 k = 0.1861-0.3122-0.0000 ( 3655 PWs) bands (ev): -14.6216 -14.6212 -13.5583 -13.5463 -13.3280 -13.3252 -12.5196 -12.5168 -12.1710 -12.1705 -12.0463 -12.0369 -4.2233 -4.2214 -2.7528 -2.7512 -1.8149 -1.7848 -1.0084 -0.8978 -0.5438 -0.5407 -0.3513 -0.3088 0.0505 0.0564 1.5988 1.6551 1.6808 1.6865 2.6428 2.6999 2.8661 2.8762 3.1073 3.1597 3.3144 3.3206 3.4816 3.5644 3.6527 3.6580 4.1972 4.2114 4.3006 4.3038 4.6898 4.6989 4.9160 4.9196 9.0909 9.5906 11.1666 11.3388 12.3913 12.4031 12.4529 12.6642 13.1841 13.2306 k = 0.1792-0.3006-0.0000 ( 3649 PWs) bands (ev): -14.6464 -14.6460 -13.5499 -13.5380 -13.3380 -13.3352 -12.5084 -12.5058 -12.1516 -12.1512 -12.0421 -12.0330 -4.1876 -4.1857 -2.7628 -2.7612 -1.8175 -1.7882 -1.0154 -0.9099 -0.5553 -0.5518 -0.3458 -0.3094 0.0915 0.0966 1.5891 1.6418 1.6606 1.6674 2.6271 2.6852 2.8743 2.8858 3.1056 3.1517 3.3022 3.3093 3.4741 3.5563 3.6543 3.6589 4.1925 4.2075 4.3118 4.3147 4.6705 4.6791 4.9066 4.9099 9.0917 9.5893 11.1636 11.3386 12.3614 12.3822 12.4449 12.6552 13.1936 13.2351 k = 0.1724-0.2891-0.0000 ( 3649 PWs) bands (ev): -14.6705 -14.6701 -13.5419 -13.5302 -13.3478 -13.3451 -12.4974 -12.4950 -12.1326 -12.1322 -12.0379 -12.0291 -4.1516 -4.1497 -2.7728 -2.7711 -1.8198 -1.7915 -1.0217 -0.9216 -0.5686 -0.5648 -0.3378 -0.3074 0.1365 0.1411 1.5769 1.6238 1.6414 1.6513 2.6109 2.6690 2.8753 2.8880 3.1020 3.1426 3.2930 3.3008 3.4664 3.5480 3.6590 3.6629 4.1887 4.2042 4.3209 4.3235 4.6516 4.6595 4.8966 4.8997 9.0947 9.5889 11.1619 11.3390 12.3298 12.3609 12.4375 12.6444 13.2025 13.2387 k = 0.1655-0.2775-0.0000 ( 3651 PWs) bands (ev): -14.6940 -14.6936 -13.5344 -13.5229 -13.3575 -13.3548 -12.4865 -12.4843 -12.1140 -12.1136 -12.0336 -12.0251 -4.1153 -4.1135 -2.7828 -2.7810 -1.8220 -1.7946 -1.0275 -0.9330 -0.5828 -0.5790 -0.3273 -0.3027 0.1849 0.1891 1.5622 1.6030 1.6234 1.6366 2.5944 2.6511 2.8692 2.8827 3.0958 3.1321 3.2878 3.2958 3.4588 3.5397 3.6663 3.6695 4.1858 4.2016 4.3279 4.3301 4.6333 4.6404 4.8861 4.8888 9.0997 9.5891 11.1612 11.3400 12.2973 12.3394 12.4303 12.6316 13.2110 13.2417 k = 0.1586-0.2660-0.0000 ( 3649 PWs) bands (ev): -14.7168 -14.7164 -13.5274 -13.5160 -13.3670 -13.3644 -12.4758 -12.4738 -12.0957 -12.0954 -12.0292 -12.0210 -4.0788 -4.0770 -2.7927 -2.7909 -1.8241 -1.7977 -1.0329 -0.9440 -0.5976 -0.5939 -0.3143 -0.2952 0.2359 0.2397 1.5456 1.5810 1.6063 1.6218 2.5774 2.6315 2.8567 2.8708 3.0867 3.1196 3.2867 3.2947 3.4514 3.5317 3.6756 3.6783 4.1838 4.1997 4.3325 4.3342 4.6159 4.6222 4.8752 4.8776 9.1068 9.5901 11.1617 11.3416 12.2642 12.3177 12.4234 12.6172 13.2191 13.2443 k = 0.1517-0.2544-0.0000 ( 3653 PWs) bands (ev): -14.7388 -14.7385 -13.5209 -13.5097 -13.3763 -13.3738 -12.4653 -12.4635 -12.0780 -12.0777 -12.0248 -12.0169 -4.0422 -4.0405 -2.8027 -2.8008 -1.8259 -1.8005 -1.0380 -0.9548 -0.6126 -0.6090 -0.2989 -0.2851 0.2889 0.2925 1.5275 1.5589 1.5897 1.6060 2.5600 2.6099 2.8387 2.8536 3.0746 3.1053 3.2891 3.2969 3.4444 3.5241 3.6865 3.6886 4.1825 4.1984 4.3346 4.3358 4.5997 4.6051 4.8640 4.8660 9.1159 9.5916 11.1634 11.3436 12.2308 12.2959 12.4167 12.6011 13.2269 13.2467 k = 0.1448-0.2428-0.0000 ( 3647 PWs) bands (ev): -14.7601 -14.7598 -13.5148 -13.5038 -13.3853 -13.3829 -12.4550 -12.4535 -12.0607 -12.0605 -12.0203 -12.0128 -4.0055 -4.0038 -2.8126 -2.8107 -1.8275 -1.8032 -1.0427 -0.9652 -0.6274 -0.6241 -0.2811 -0.2724 0.3434 0.3468 1.5086 1.5369 1.5733 1.5894 2.5420 2.5864 2.8167 2.8325 3.0598 3.0894 3.2943 3.3018 3.4378 3.5169 3.6984 3.7000 4.1820 4.1977 4.3339 4.3346 4.5850 4.5894 4.8525 4.8541 9.1268 9.5938 11.1663 11.3462 12.1973 12.2739 12.4101 12.5837 13.2344 13.2493 k = 0.1379-0.2313-0.0000 ( 3645 PWs) bands (ev): -14.7806 -14.7803 -13.5091 -13.4985 -13.3941 -13.3918 -12.4450 -12.4436 -12.0440 -12.0439 -12.0158 -12.0087 -3.9689 -3.9673 -2.8227 -2.8207 -1.8289 -1.8057 -1.0472 -0.9753 -0.6418 -0.6388 -0.2612 -0.2572 0.3989 0.4023 1.4893 1.5153 1.5569 1.5718 2.5230 2.5605 2.7917 2.8088 3.0430 3.0724 3.3012 3.3086 3.4318 3.5102 3.7108 3.7118 4.1821 4.1976 4.3305 4.3308 4.5718 4.5754 4.8409 4.8420 9.1395 9.5964 11.1703 11.3492 12.1640 12.2519 12.4036 12.5651 13.2416 13.2520 k = 0.1310-0.2197-0.0000 ( 3651 PWs) bands (ev): -14.8003 -14.7999 -13.5038 -13.4935 -13.4026 -13.4004 -12.4352 -12.4341 -12.0279 -12.0279 -12.0113 -12.0046 -3.9325 -3.9310 -2.8328 -2.8309 -1.8300 -1.8079 -1.0515 -0.9851 -0.6557 -0.6530 -0.2397 -0.2393 0.4551 0.4584 1.4701 1.4942 1.5403 1.5534 2.5028 2.5324 2.7648 2.7833 3.0247 3.0549 3.3092 3.3164 3.4263 3.5040 3.7231 3.7235 4.1828 4.1979 4.3244 4.3245 4.5603 4.5631 4.8291 4.8298 9.1539 9.5993 11.1755 11.3526 12.1311 12.2298 12.3973 12.5457 13.2485 13.2550 k = 0.1241-0.2081-0.0000 ( 3657 PWs) bands (ev): -14.8191 -14.8188 -13.4990 -13.4890 -13.4108 -13.4088 -12.4258 -12.4248 -12.0132 -12.0125 -12.0062 -12.0005 -3.8964 -3.8949 -2.8430 -2.8411 -1.8309 -1.8099 -1.0557 -0.9945 -0.6690 -0.6665 -0.2200 -0.2156 0.5115 0.5149 1.4512 1.4738 1.5236 1.5345 2.4811 2.5019 2.7370 2.7569 3.0055 3.0374 3.3177 3.3249 3.4214 3.4982 3.7346 3.7347 4.1840 4.1987 4.3159 4.3163 4.5505 4.5525 4.8174 4.8177 9.1698 9.6025 11.1820 11.3565 12.0988 12.2074 12.3911 12.5257 13.2552 13.2583 k = 0.1172-0.1966-0.0000 ( 3659 PWs) bands (ev): -14.8370 -14.8367 -13.4946 -13.4850 -13.4186 -13.4168 -12.4167 -12.4158 -12.0042 -11.9991 -11.9960 -11.9952 -3.8606 -3.8592 -2.8533 -2.8514 -1.8316 -1.8116 -1.0597 -1.0036 -0.6815 -0.6793 -0.1984 -0.1903 0.5677 0.5712 1.4329 1.4541 1.5068 1.5154 2.4577 2.4694 2.7088 2.7300 2.9861 3.0203 3.3264 3.3338 3.4171 3.4928 3.7445 3.7453 4.1855 4.1999 4.3058 4.3063 4.5421 4.5436 4.8056 4.8058 9.1872 9.6057 11.1898 11.3610 12.0674 12.1847 12.3849 12.5055 13.2617 13.2618 k = 0.1103-0.1850-0.0000 ( 3659 PWs) bands (ev): -14.8541 -14.8538 -13.4906 -13.4813 -13.4261 -13.4244 -12.4079 -12.4072 -11.9995 -11.9936 -11.9826 -11.9824 -3.8253 -3.8239 -2.8637 -2.8619 -1.8320 -1.8132 -1.0635 -1.0123 -0.6933 -0.6913 -0.1750 -0.1638 0.6235 0.6271 1.4152 1.4352 1.4900 1.4962 2.4324 2.4350 2.6808 2.7027 2.9670 3.0040 3.3350 3.3428 3.4135 3.4877 3.7528 3.7541 4.1872 4.2013 4.2946 4.2952 4.5350 4.5362 4.7937 4.7943 9.2058 9.6090 11.1988 11.3659 12.0369 12.1616 12.3788 12.4853 13.2655 13.2678 k = 0.1034-0.1734-0.0000 ( 3657 PWs) bands (ev): -14.8702 -14.8699 -13.4869 -13.4781 -13.4332 -13.4317 -12.3995 -12.3989 -11.9953 -11.9898 -11.9692 -11.9690 -3.7906 -3.7893 -2.8743 -2.8725 -1.8321 -1.8144 -1.0672 -1.0205 -0.7042 -0.7024 -0.1501 -0.1362 0.6782 0.6820 1.3985 1.4171 1.4736 1.4774 2.3992 2.4051 2.6534 2.6754 2.9488 2.9888 3.3433 3.3519 3.4107 3.4827 3.7591 3.7609 4.1891 4.2029 4.2831 4.2836 4.5289 4.5298 4.7820 4.7831 9.2255 9.6120 11.2091 11.3713 12.0077 12.1380 12.3726 12.4655 13.2695 13.2736 k = 0.0965-0.1619-0.0000 ( 3653 PWs) bands (ev): -14.8853 -14.8851 -13.4837 -13.4752 -13.4399 -13.4385 -12.3915 -12.3910 -11.9914 -11.9863 -11.9565 -11.9563 -3.7567 -3.7555 -2.8850 -2.8832 -1.8320 -1.8154 -1.0707 -1.0284 -0.7142 -0.7127 -0.1240 -0.1080 0.7316 0.7355 1.3827 1.3998 1.4576 1.4594 2.3625 2.3761 2.6265 2.6481 2.9319 2.9747 3.3512 3.3610 3.4089 3.4779 3.7628 3.7652 4.1909 4.2045 4.2718 4.2723 4.5236 4.5244 4.7708 4.7722 9.2461 9.6147 11.2207 11.3772 11.9797 12.1139 12.3665 12.4462 13.2736 13.2792 k = 0.0896-0.1503-0.0000 ( 3649 PWs) bands (ev): -14.8996 -14.8993 -13.4808 -13.4728 -13.4461 -13.4449 -12.3840 -12.3836 -11.9877 -11.9829 -11.9444 -11.9442 -3.7236 -3.7225 -2.8957 -2.8940 -1.8317 -1.8162 -1.0740 -1.0359 -0.7234 -0.7220 -0.0971 -0.0793 0.7831 0.7872 1.3681 1.3835 1.4425 1.4425 2.3252 2.3455 2.6004 2.6210 2.9166 2.9618 3.3584 3.3703 3.4082 3.4732 3.7639 3.7667 4.1925 4.2059 4.2614 4.2619 4.5189 4.5197 4.7599 4.7616 9.2676 9.6168 11.2336 11.3836 11.9533 12.0892 12.3602 12.4277 13.2778 13.2844 k = 0.0827-0.1388-0.0000 ( 3649 PWs) bands (ev): -14.9128 -14.9126 -13.4784 -13.4708 -13.4518 -13.4507 -12.3768 -12.3765 -11.9842 -11.9798 -11.9332 -11.9330 -3.6916 -3.6906 -2.9066 -2.9050 -1.8312 -1.8169 -1.0771 -1.0429 -0.7316 -0.7305 -0.0695 -0.0507 0.8322 0.8364 1.3547 1.3679 1.4274 1.4285 2.2878 2.3138 2.5750 2.5942 2.9033 2.9502 3.3648 3.3796 3.4092 3.4685 3.7620 3.7651 4.1938 4.2070 4.2524 4.2531 4.5147 4.5155 4.7496 4.7516 9.2896 9.6183 11.2476 11.3905 11.9284 12.0639 12.3539 12.4102 13.2819 13.2893 k = 0.0758-0.1272-0.0000 ( 3653 PWs) bands (ev): -14.9250 -14.9249 -13.4765 -13.4694 -13.4567 -13.4558 -12.3702 -12.3700 -11.9809 -11.9768 -11.9227 -11.9226 -3.6608 -3.6598 -2.9174 -2.9159 -1.8305 -1.8173 -1.0800 -1.0494 -0.7391 -0.7380 -0.0418 -0.0223 0.8782 0.8826 1.3424 1.3530 1.4147 1.4162 2.2509 2.2812 2.5504 2.5681 2.8919 2.9396 3.3699 3.3891 3.4120 3.4640 3.7571 3.7604 4.1945 4.2076 4.2453 4.2462 4.5108 4.5117 4.7398 4.7421 9.3121 9.6190 11.2628 11.3977 11.9053 12.0382 12.3475 12.3937 13.2861 13.2938 k = 0.0689-0.1156-0.0000 ( 3651 PWs) bands (ev): -14.9363 -14.9361 -13.4753 -13.4692 -13.4607 -13.4596 -12.3641 -12.3639 -11.9778 -11.9741 -11.9131 -11.9129 -3.6314 -3.6305 -2.9283 -2.9268 -1.8296 -1.8176 -1.0826 -1.0555 -0.7456 -0.7447 -0.0143 0.0054 0.9206 0.9251 1.3313 1.3388 1.4048 1.4062 2.2149 2.2483 2.5269 2.5428 2.8826 2.9301 3.3738 3.3986 3.4170 3.4596 3.7493 3.7527 4.1948 4.2074 4.2403 4.2413 4.5073 4.5082 4.7307 4.7331 9.3349 9.6187 11.2789 11.4051 11.8839 12.0122 12.3411 12.3783 13.2902 13.2980 k = 0.0620-0.1041-0.0000 ( 3649 PWs) bands (ev): -14.9465 -14.9463 -13.4755 -13.4709 -13.4632 -13.4612 -12.3585 -12.3583 -11.9749 -11.9716 -11.9043 -11.9042 -3.6035 -3.6027 -2.9389 -2.9376 -1.8287 -1.8178 -1.0849 -1.0612 -0.7514 -0.7506 0.0126 0.0320 0.9587 0.9631 1.3211 1.3253 1.3984 1.3991 2.1802 2.2155 2.5044 2.5187 2.8753 2.9215 3.3767 3.4079 3.4239 3.4556 3.7388 3.7421 4.1946 4.2065 4.2375 4.2383 4.5041 4.5050 4.7224 4.7248 9.3578 9.6172 11.2959 11.4127 11.8646 11.9860 12.3347 12.3643 13.2941 13.3017 k = 0.0552-0.0925-0.0000 ( 3641 PWs) bands (ev): -14.9556 -14.9555 -13.4771 -13.4739 -13.4641 -13.4613 -12.3534 -12.3533 -11.9723 -11.9694 -11.8964 -11.8963 -3.5774 -3.5766 -2.9494 -2.9481 -1.8276 -1.8180 -1.0870 -1.0663 -0.7564 -0.7557 0.0386 0.0571 0.9919 0.9962 1.3116 1.3126 1.3956 1.3958 2.1474 2.1833 2.4834 2.4961 2.8697 2.9136 3.3791 3.4167 3.4323 3.4526 3.7261 3.7292 4.1944 4.2051 4.2363 4.2369 4.5012 4.5021 4.7148 4.7172 9.3806 9.6146 11.3136 11.4201 11.8473 11.9600 12.3285 12.3515 13.2978 13.3051 k = 0.0483-0.0809-0.0000 ( 3639 PWs) bands (ev): -14.9637 -14.9636 -13.4795 -13.4773 -13.4638 -13.4608 -12.3489 -12.3488 -11.9700 -11.9674 -11.8893 -11.8893 -3.5533 -3.5526 -2.9594 -2.9583 -1.8265 -1.8180 -1.0887 -1.0710 -0.7606 -0.7601 0.0631 0.0804 1.0198 1.0237 1.3009 1.3026 1.3960 1.3969 2.1169 2.1521 2.4641 2.4752 2.8658 2.9065 3.3812 3.4232 3.4419 3.4520 3.7115 3.7144 4.1942 4.2037 4.2361 4.2364 4.4986 4.4995 4.7080 4.7103 9.4031 9.6105 11.3317 11.4272 11.8321 11.9344 12.3225 12.3400 13.3013 13.3080 k = 0.0414-0.0694-0.0000 ( 3633 PWs) bands (ev): -14.9708 -14.9707 -13.4821 -13.4804 -13.4631 -13.4602 -12.3449 -12.3449 -11.9679 -11.9657 -11.8832 -11.8832 -3.5315 -3.5309 -2.9688 -2.9678 -1.8254 -1.8181 -1.0901 -1.0752 -0.7642 -0.7638 0.0857 0.1013 1.0423 1.0457 1.2904 1.2940 1.4002 1.4014 2.0892 2.1226 2.4467 2.4563 2.8634 2.8999 3.3834 3.4256 3.4523 3.4561 3.6957 3.6983 4.1943 4.2024 4.2365 4.2366 4.4963 4.4972 4.7021 4.7043 9.4252 9.6050 11.3498 11.4335 11.8194 11.9097 12.3169 12.3299 13.3045 13.3105 k = 0.0345-0.0578-0.0000 ( 3635 PWs) bands (ev): -14.9767 -14.9767 -13.4844 -13.4832 -13.4623 -13.4598 -12.3415 -12.3415 -11.9661 -11.9643 -11.8780 -11.8780 -3.5123 -3.5118 -2.9774 -2.9766 -1.8243 -1.8182 -1.0912 -1.0789 -0.7671 -0.7668 0.1060 0.1196 1.0596 1.0624 1.2814 1.2860 1.4073 1.4084 2.0650 2.0953 2.4316 2.4396 2.8623 2.8939 3.3858 3.4239 3.4634 3.4644 3.6793 3.6816 4.1946 4.2014 4.2372 4.2372 4.4943 4.4952 4.6970 4.6990 9.4466 9.5980 11.3675 11.4388 11.8091 11.8861 12.3118 12.3213 13.3073 13.3125 k = 0.0276-0.0463-0.0000 ( 3633 PWs) bands (ev): -14.9816 -14.9816 -13.4864 -13.4855 -13.4615 -13.4594 -12.3388 -12.3387 -11.9646 -11.9631 -11.8737 -11.8737 -3.4959 -3.4955 -2.9850 -2.9843 -1.8233 -1.8184 -1.0919 -1.0822 -0.7695 -0.7692 0.1236 0.1349 1.0723 1.0745 1.2740 1.2788 1.4161 1.4169 2.0448 2.0708 2.4191 2.4255 2.8623 2.8883 3.3886 3.4205 3.4746 3.4746 3.6631 3.6650 4.1951 4.2006 4.2378 4.2379 4.4927 4.4934 4.6930 4.6946 9.4674 9.5895 11.3845 11.4426 11.8016 11.8644 12.3074 12.3140 13.3098 13.3140 k = 0.0207-0.0347-0.0000 ( 3637 PWs) bands (ev): -14.9855 -14.9854 -13.4880 -13.4873 -13.4608 -13.4592 -12.3366 -12.3366 -11.9634 -11.9623 -11.8704 -11.8704 -3.4828 -3.4824 -2.9912 -2.9907 -1.8223 -1.8186 -1.0921 -1.0850 -0.7713 -0.7710 0.1381 0.1468 1.0812 1.0827 1.2683 1.2726 1.4250 1.4254 2.0292 2.0498 2.4092 2.4141 2.8633 2.8832 3.3917 3.4163 3.4851 3.4855 3.6479 3.6494 4.1958 4.1999 4.2384 4.2386 4.4915 4.4920 4.6898 4.6911 9.4871 9.5793 11.4003 11.4444 11.7972 11.8449 12.3039 12.3083 13.3119 13.3151 k = 0.0138-0.0231-0.0000 ( 3641 PWs) bands (ev): -14.9882 -14.9881 -13.4891 -13.4887 -13.4602 -13.4592 -12.3350 -12.3350 -11.9624 -11.9617 -11.8680 -11.8680 -3.4731 -3.4729 -2.9959 -2.9955 -1.8214 -1.8189 -1.0920 -1.0873 -0.7725 -0.7723 0.1491 0.1550 1.0870 1.0880 1.2646 1.2677 1.4326 1.4327 2.0188 2.0331 2.4023 2.4056 2.8651 2.8786 3.3952 3.4118 3.4946 3.4950 3.6350 3.6361 4.1966 4.1993 4.2390 4.2390 4.4906 4.4910 4.6876 4.6885 9.5058 9.5676 11.4142 11.4439 11.7961 11.8281 12.3014 12.3041 13.3135 13.3157 k = 0.0069-0.0116-0.0000 ( 3643 PWs) bands (ev): -14.9898 -14.9898 -13.4897 -13.4895 -13.4598 -13.4592 -12.3341 -12.3341 -11.9618 -11.9614 -11.8666 -11.8666 -3.4672 -3.4671 -2.9987 -2.9985 -1.8206 -1.8194 -1.0915 -1.0891 -0.7732 -0.7731 0.1565 0.1595 1.0903 1.0908 1.2626 1.2643 1.4376 1.4377 2.0138 2.0212 2.3984 2.4001 2.8676 2.8744 3.3990 3.4074 3.5016 3.5018 3.6262 3.6268 4.1973 4.1987 4.2393 4.2393 4.4901 4.4903 4.6864 4.6868 9.5233 9.5543 11.4258 11.4408 11.7985 11.8146 12.3000 12.3013 13.3148 13.3159 k = 0.0000 0.0000 0.0000 ( 3643 PWs) bands (ev): -14.9903 -14.9903 -13.4899 -13.4899 -13.4594 -13.4594 -12.3338 -12.3338 -11.9615 -11.9615 -11.8661 -11.8661 -3.4652 -3.4652 -2.9996 -2.9996 -1.8199 -1.8199 -1.0905 -1.0905 -0.7734 -0.7734 0.1600 0.1600 1.0915 1.0915 1.2626 1.2626 1.4394 1.4394 2.0146 2.0146 2.3977 2.3977 2.8707 2.8707 3.4031 3.4031 3.5043 3.5043 3.6232 3.6232 4.1981 4.1981 4.2394 4.2394 4.4900 4.4900 4.6861 4.6861 9.5395 9.5395 11.4347 11.4347 11.8047 11.8047 12.3000 12.3000 13.3156 13.3156 k = 0.0000 0.0000 0.0000 ( 3643 PWs) bands (ev): -14.9903 -14.9903 -13.4899 -13.4899 -13.4594 -13.4594 -12.3338 -12.3338 -11.9615 -11.9615 -11.8661 -11.8661 -3.4652 -3.4652 -2.9996 -2.9996 -1.8199 -1.8199 -1.0905 -1.0905 -0.7734 -0.7734 0.1600 0.1600 1.0915 1.0915 1.2626 1.2626 1.4394 1.4394 2.0146 2.0146 2.3977 2.3977 2.8707 2.8707 3.4031 3.4031 3.5043 3.5043 3.6232 3.6232 4.1981 4.1981 4.2394 4.2394 4.4900 4.4900 4.6861 4.6861 9.5395 9.5395 11.4347 11.4347 11.8047 11.8047 12.3000 12.3000 13.3156 13.3156 k = 0.0119-0.0064-0.0018 ( 3642 PWs) bands (ev): -14.9898 -14.9897 -13.4913 -13.4887 -13.4602 -13.4579 -12.3343 -12.3340 -11.9621 -11.9617 -11.8666 -11.8664 -3.4676 -3.4663 -2.9998 -2.9989 -1.8201 -1.8187 -1.0940 -1.0863 -0.7750 -0.7707 0.1568 0.1601 1.0880 1.0904 1.2633 1.2651 1.4348 1.4403 2.0081 2.0271 2.3876 2.4113 2.8675 2.8734 3.3893 3.4121 3.4951 3.5142 3.6256 3.6269 4.1953 4.2003 4.2363 4.2429 4.4901 4.4906 4.6861 4.6865 9.5243 9.5534 11.4254 11.4417 11.7867 11.8259 12.2824 12.3185 13.3109 13.3198 k = 0.0238-0.0129-0.0036 ( 3642 PWs) bands (ev): -14.9881 -14.9878 -13.4927 -13.4878 -13.4602 -13.4557 -12.3354 -12.3347 -11.9638 -11.9630 -11.8679 -11.8675 -3.4737 -3.4712 -2.9994 -2.9976 -1.8191 -1.8164 -1.0966 -1.0813 -0.7754 -0.7669 0.1506 0.1572 1.0804 1.0848 1.2671 1.2704 1.4269 1.4380 2.0077 2.0446 2.3816 2.4281 2.8638 2.8756 3.3728 3.4134 3.4904 3.5225 3.6333 3.6366 4.1921 4.2018 4.2339 4.2465 4.4909 4.4917 4.6865 4.6873 9.5076 9.5659 11.4136 11.4466 11.7726 11.8494 12.2661 12.3377 13.3058 13.3237 k = 0.0357-0.0193-0.0053 ( 3639 PWs) bands (ev): -14.9852 -14.9847 -13.4941 -13.4872 -13.4593 -13.4530 -12.3371 -12.3362 -11.9665 -11.9652 -11.8699 -11.8693 -3.4834 -3.4796 -2.9984 -2.9958 -1.8170 -1.8131 -1.0985 -1.0758 -0.7745 -0.7620 0.1415 0.1514 1.0689 1.0749 1.2738 1.2779 1.4164 1.4332 2.0130 2.0658 2.3801 2.4481 2.8596 2.8770 3.3552 3.4065 3.4916 3.5286 3.6455 3.6515 4.1886 4.2022 4.2324 4.2503 4.4922 4.4933 4.6874 4.6885 9.4898 9.5770 11.3993 11.4496 11.7632 11.8746 12.2513 12.3573 13.3004 13.3270 k = 0.0476-0.0257-0.0071 ( 3641 PWs) bands (ev): -14.9811 -14.9804 -13.4953 -13.4869 -13.4574 -13.4498 -12.3395 -12.3382 -11.9702 -11.9685 -11.8726 -11.8718 -3.4965 -3.4916 -2.9969 -2.9935 -1.8137 -1.8088 -1.0996 -1.0698 -0.7723 -0.7560 0.1297 0.1427 1.0539 1.0612 1.2825 1.2870 1.4045 1.4269 2.0230 2.0888 2.3839 2.4709 2.8549 2.8778 3.3372 3.3940 3.4969 3.5331 3.6609 3.6703 4.1849 4.2011 4.2324 4.2543 4.4940 4.4955 4.6886 4.6901 9.4708 9.5867 11.3824 11.4508 11.7589 11.9008 12.2384 12.3770 13.2948 13.3297 k = 0.0595-0.0322-0.0089 ( 3638 PWs) bands (ev): -14.9758 -14.9749 -13.4965 -13.4870 -13.4548 -13.4462 -12.3425 -12.3409 -11.9750 -11.9728 -11.8758 -11.8748 -3.5129 -3.5070 -2.9948 -2.9907 -1.8094 -1.8036 -1.1001 -1.0637 -0.7685 -0.7489 0.1153 0.1313 1.0360 1.0441 1.2925 1.2973 1.3927 1.4200 2.0368 2.1117 2.3939 2.4965 2.8498 2.8778 3.3195 3.3794 3.5037 3.5367 3.6788 3.6915 4.1810 4.1986 4.2338 4.2585 4.4964 4.4981 4.6904 4.6921 9.4507 9.5949 11.3631 11.4505 11.7597 11.9275 12.2277 12.3966 13.2890 13.3320 k = 0.0714-0.0386-0.0107 ( 3637 PWs) bands (ev): -14.9694 -14.9682 -13.4975 -13.4872 -13.4515 -13.4423 -12.3461 -12.3442 -11.9811 -11.9783 -11.8794 -11.8783 -3.5325 -3.5255 -2.9921 -2.9874 -1.8040 -1.7974 -1.1002 -1.0575 -0.7632 -0.7407 0.0987 0.1173 1.0153 1.0241 1.3019 1.3085 1.3829 1.4134 2.0532 2.1329 2.4107 2.5248 2.8444 2.8770 3.3027 3.3646 3.5108 3.5399 3.6981 3.7140 4.1770 4.1953 4.2364 4.2632 4.4991 4.5010 4.6926 4.6946 9.4297 9.6019 11.3416 11.4491 11.7657 11.9541 12.2194 12.4159 13.2831 13.3336 k = 0.0833-0.0450-0.0124 ( 3638 PWs) bands (ev): -14.9617 -14.9604 -13.4983 -13.4874 -13.4476 -13.4381 -12.3503 -12.3481 -11.9884 -11.9851 -11.8833 -11.8822 -3.5550 -3.5471 -2.9890 -2.9837 -1.7975 -1.7905 -1.0998 -1.0517 -0.7562 -0.7315 0.0800 0.1011 0.9924 1.0017 1.3085 1.3207 1.3770 1.4076 2.0714 2.1515 2.4344 2.5553 2.8385 2.8753 3.2872 3.3507 3.5177 3.5430 3.7180 3.7368 4.1731 4.1915 4.2400 4.2683 4.5021 4.5042 4.6954 4.6976 9.4080 9.6076 11.3185 11.4466 11.7763 11.9804 12.2138 12.4348 13.2771 13.3347 k = 0.0952-0.0515-0.0142 ( 3639 PWs) bands (ev): -14.9530 -14.9515 -13.4990 -13.4877 -13.4433 -13.4336 -12.3551 -12.3526 -11.9970 -11.9932 -11.8874 -11.8862 -3.5801 -3.5715 -2.9855 -2.9796 -1.7901 -1.7827 -1.0992 -1.0463 -0.7476 -0.7213 0.0597 0.0830 0.9677 0.9777 1.3108 1.3332 1.3770 1.4032 2.0907 2.1673 2.4642 2.5877 2.8323 2.8729 3.2733 3.3383 3.5241 3.5460 3.7377 3.7592 4.1693 4.1878 4.2444 4.2740 4.5053 4.5074 4.6987 4.7010 9.3857 9.6121 11.2941 11.4435 11.7912 12.0058 12.2111 12.4532 13.2710 13.3352 k = 0.1071-0.0579-0.0160 ( 3643 PWs) bands (ev): -14.9430 -14.9414 -13.4995 -13.4880 -13.4385 -13.4288 -12.3605 -12.3578 -12.0069 -12.0026 -11.8916 -11.8904 -3.6077 -3.5984 -2.9816 -2.9752 -1.7819 -1.7743 -1.0983 -1.0415 -0.7375 -0.7104 0.0381 0.0633 0.9418 0.9524 1.3088 1.3448 1.3828 1.4008 2.1106 2.1807 2.4988 2.6215 2.8259 2.8698 3.2613 3.3277 3.5301 3.5491 3.7566 3.7805 4.1661 4.1846 4.2496 4.2805 4.5086 4.5108 4.7026 4.7050 9.3631 9.6154 11.2689 11.4397 11.8100 12.0301 12.2117 12.4710 13.2650 13.3352 k = 0.1190-0.0643-0.0178 ( 3640 PWs) bands (ev): -14.9320 -14.9301 -13.4999 -13.4883 -13.4335 -13.4238 -12.3664 -12.3635 -12.0181 -12.0133 -11.8958 -11.8945 -3.6374 -3.6275 -2.9775 -2.9706 -1.7728 -1.7652 -1.0971 -1.0372 -0.7262 -0.6989 0.0158 0.0426 0.9150 0.9266 1.3042 1.3539 1.3925 1.4018 2.1307 2.1926 2.5366 2.6558 2.8196 2.8666 3.2516 3.3193 3.5355 3.5520 3.7739 3.7999 4.1640 4.1824 4.2555 4.2880 4.5119 4.5140 4.7071 4.7096 9.3403 9.6178 11.2434 11.4356 11.8321 12.0529 12.2157 12.4882 13.2591 13.3347 k = 0.1310-0.0708-0.0195 ( 3639 PWs) bands (ev): -14.9198 -14.9178 -13.5003 -13.4885 -13.4281 -13.4185 -12.3730 -12.3698 -12.0307 -12.0252 -11.9000 -11.8987 -3.6690 -3.6585 -2.9732 -2.9658 -1.7633 -1.7556 -1.0957 -1.0336 -0.7139 -0.6871 -0.0067 0.0212 0.8880 0.9006 1.2987 1.3589 1.4037 1.4079 2.1509 2.2036 2.5758 2.6892 2.8139 2.8640 3.2443 3.3130 3.5403 3.5549 3.7890 3.8167 4.1634 4.1816 4.2622 4.2966 4.5151 4.5171 4.7123 4.7148 9.3176 9.6192 11.2179 11.4310 11.8573 12.0740 12.2234 12.5050 13.2532 13.3338 k = 0.1429-0.0772-0.0213 ( 3641 PWs) bands (ev): -14.9066 -14.9044 -13.5006 -13.4888 -13.4224 -13.4131 -12.3800 -12.3766 -12.0444 -12.0385 -11.9041 -11.9028 -3.7022 -3.6912 -2.9689 -2.9609 -1.7534 -1.7455 -1.0939 -1.0304 -0.7013 -0.6753 -0.0289 0.0000 0.8613 0.8749 1.2929 1.3598 1.4145 1.4194 2.1709 2.2142 2.6144 2.7191 2.8103 2.8634 3.2393 3.3089 3.5446 3.5574 3.8014 3.8299 4.1650 4.1826 4.2697 4.3066 4.5181 4.5200 4.7181 4.7207 9.2952 9.6197 11.1926 11.4261 11.8851 12.0933 12.2346 12.5213 13.2476 13.3324 k = 0.1548-0.0837-0.0231 ( 3641 PWs) bands (ev): -14.8923 -14.8900 -13.5009 -13.4891 -13.4165 -13.4074 -12.3877 -12.3840 -12.0592 -12.0528 -11.9081 -11.9068 -3.7367 -3.7253 -2.9647 -2.9561 -1.7434 -1.7352 -1.0916 -1.0275 -0.6888 -0.6640 -0.0500 -0.0205 0.8354 0.8497 1.2872 1.3580 1.4262 1.4330 2.1907 2.2250 2.6500 2.7409 2.8122 2.8674 3.2368 3.3070 3.5483 3.5594 3.8107 3.8391 4.1693 4.1856 4.2784 4.3182 4.5208 4.5227 4.7247 4.7272 9.2733 9.6196 11.1679 11.4208 11.9151 12.1110 12.2491 12.5374 13.2421 13.3307 k = 0.1667-0.0901-0.0249 ( 3641 PWs) bands (ev): -14.8770 -14.8745 -13.5014 -13.4896 -13.4104 -13.4015 -12.3958 -12.3919 -12.0750 -12.0681 -11.9120 -11.9107 -3.7722 -3.7604 -2.9605 -2.9514 -1.7336 -1.7248 -1.0887 -1.0249 -0.6771 -0.6534 -0.0693 -0.0394 0.8105 0.8255 1.2815 1.3545 1.4384 1.4471 2.2102 2.2361 2.6793 2.7496 2.8233 2.8790 3.2366 3.3071 3.5514 3.5606 3.8168 3.8439 4.1763 4.1909 4.2883 4.3315 4.5233 4.5251 4.7319 4.7344 9.2522 9.6188 11.1439 11.4151 11.9471 12.1275 12.2664 12.5534 13.2367 13.3286 k = 0.1786-0.0965-0.0266 ( 3643 PWs) bands (ev): -14.8608 -14.8581 -13.5020 -13.4902 -13.4041 -13.3954 -12.4044 -12.4004 -12.0916 -12.0843 -11.9158 -11.9146 -3.8085 -3.7964 -2.9566 -2.9468 -1.7242 -1.7145 -1.0850 -1.0223 -0.6669 -0.6438 -0.0862 -0.0559 0.7870 0.8023 1.2760 1.3500 1.4507 1.4614 2.2289 2.2479 2.6988 2.7485 2.8419 2.8994 3.2385 3.3090 3.5538 3.5607 3.8200 3.8445 4.1858 4.1985 4.2997 4.3468 4.5255 4.5273 4.7399 4.7423 9.2320 9.6174 11.1207 11.4091 11.9807 12.1433 12.2857 12.5695 13.2316 13.3263 k = 0.1905-0.1030-0.0284 ( 3644 PWs) bands (ev): -14.8435 -14.8407 -13.5028 -13.4910 -13.3976 -13.3892 -12.4135 -12.4093 -12.1089 -12.1013 -11.9195 -11.9184 -3.8453 -3.8329 -2.9530 -2.9425 -1.7156 -1.7048 -1.0806 -1.0197 -0.6589 -0.6353 -0.1001 -0.0694 0.7651 0.7803 1.2705 1.3448 1.4629 1.4755 2.2462 2.2609 2.7063 2.7439 2.8658 2.9255 3.2425 3.3124 3.5553 3.5595 3.8207 3.8418 4.1968 4.2083 4.3129 4.3640 4.5275 4.5296 4.7485 4.7509 9.2131 9.6155 11.0984 11.4026 12.0153 12.1589 12.3064 12.5861 13.2267 13.3237 k = 0.2024-0.1094-0.0302 ( 3643 PWs) bands (ev): -14.8254 -14.8224 -13.5039 -13.4921 -13.3910 -13.3827 -12.4231 -12.4187 -12.1268 -12.1188 -11.9232 -11.9221 -3.8824 -3.8697 -2.9496 -2.9385 -1.7081 -1.6958 -1.0752 -1.0170 -0.6534 -0.6281 -0.1102 -0.0791 0.7451 0.7598 1.2651 1.3388 1.4746 1.4893 2.2611 2.2759 2.7035 2.7387 2.8930 2.9536 3.2483 3.3169 3.5541 3.5580 3.8196 3.8370 4.2083 4.2200 4.3280 4.3828 4.5294 4.5323 4.7577 4.7602 9.1956 9.6133 11.0773 11.3957 12.0507 12.1749 12.3279 12.6033 13.2220 13.3210 k = 0.2143-0.1158-0.0320 ( 3643 PWs) bands (ev): -14.8063 -14.8032 -13.5054 -13.4936 -13.3842 -13.3761 -12.4330 -12.4286 -12.1451 -12.1368 -11.9268 -11.9257 -3.9195 -3.9066 -2.9466 -2.9349 -1.7019 -1.6879 -1.0690 -1.0143 -0.6503 -0.6223 -0.1164 -0.0846 0.7270 0.7407 1.2596 1.3324 1.4859 1.5026 2.2739 2.2925 2.6944 2.7331 2.9214 2.9813 3.2557 3.3223 3.5485 3.5573 3.8173 3.8318 4.2199 4.2330 4.3451 4.4024 4.5316 4.5361 4.7676 4.7702 9.1796 9.6106 11.0573 11.3884 12.0863 12.1916 12.3497 12.6214 13.2175 13.3181 k = 0.2262-0.1223-0.0337 ( 3645 PWs) bands (ev): -14.7865 -14.7832 -13.5073 -13.4955 -13.3772 -13.3692 -12.4434 -12.4388 -12.1637 -12.1551 -11.9304 -11.9293 -3.9564 -3.9434 -2.9439 -2.9317 -1.6973 -1.6816 -1.0620 -1.0117 -0.6492 -0.6175 -0.1183 -0.0857 0.7109 0.7233 1.2541 1.3256 1.4966 1.5153 2.2855 2.3096 2.6818 2.7264 2.9487 3.0070 3.2648 3.3281 3.5395 3.5558 3.8140 3.8283 4.2315 4.2462 4.3637 4.4217 4.5345 4.5421 4.7781 4.7810 9.1654 9.6076 11.0385 11.3806 12.1213 12.2095 12.3714 12.6404 13.2132 13.3151 k = 0.2381-0.1287-0.0355 ( 3650 PWs) bands (ev): -14.7658 -14.7624 -13.5098 -13.4980 -13.3701 -13.3622 -12.4541 -12.4494 -12.1824 -12.1735 -11.9339 -11.9329 -3.9929 -3.9799 -2.9415 -2.9289 -1.6945 -1.6770 -1.0546 -1.0094 -0.6493 -0.6136 -0.1161 -0.0824 0.6969 0.7076 1.2486 1.3184 1.5067 1.5274 2.2963 2.3264 2.6676 2.7188 2.9737 3.0297 3.2753 3.3338 3.5274 3.5529 3.8105 3.8277 4.2431 4.2593 4.3826 4.4384 4.5391 4.5520 4.7891 4.7924 9.1530 9.6042 11.0211 11.3725 12.1550 12.2290 12.3928 12.6605 13.2090 13.3120 k = 0.2500-0.1351-0.0373 ( 3650 PWs) bands (ev): -14.7445 -14.7409 -13.5128 -13.5010 -13.3629 -13.3551 -12.4651 -12.4604 -12.2010 -12.1920 -11.9373 -11.9363 -4.0288 -4.0158 -2.9396 -2.9265 -1.6937 -1.6743 -1.0472 -1.0077 -0.6495 -0.6097 -0.1100 -0.0752 0.6848 0.6937 1.2432 1.3110 1.5162 1.5387 2.3064 2.3425 2.6522 2.7102 2.9954 3.0486 3.2872 3.3392 3.5125 3.5485 3.8083 3.8300 4.2547 4.2719 4.4005 4.4506 4.5467 4.5675 4.8006 4.8046 9.1426 9.6004 11.0052 11.3640 12.1863 12.2507 12.4138 12.6817 13.2051 13.3089 k = 0.2619-0.1416-0.0391 ( 3650 PWs) bands (ev): -14.7225 -14.7188 -13.5166 -13.5047 -13.3556 -13.3478 -12.4764 -12.4716 -12.2195 -12.2103 -11.9407 -11.9397 -4.0640 -4.0511 -2.9379 -2.9245 -1.6950 -1.6738 -1.0404 -1.0069 -0.6487 -0.6052 -0.1005 -0.0643 0.6746 0.6819 1.2378 1.3035 1.5250 1.5492 2.3160 2.3578 2.6362 2.7006 3.0130 3.0630 3.3006 3.3441 3.4957 3.5431 3.8082 3.8346 4.2663 4.2841 4.4152 4.4573 4.5587 4.5890 4.8127 4.8175 9.1342 9.5962 10.9909 11.3552 12.2144 12.2750 12.4344 12.7037 13.2014 13.3058 k = 0.2738-0.1480-0.0408 ( 3647 PWs) bands (ev): -14.6999 -14.6961 -13.5210 -13.5092 -13.3481 -13.3403 -12.4878 -12.4831 -12.2377 -12.2285 -11.9439 -11.9431 -4.0983 -4.0855 -2.9366 -2.9229 -1.6984 -1.6755 -1.0349 -1.0070 -0.6458 -0.5992 -0.0880 -0.0504 0.6658 0.6725 1.2326 1.2960 1.5332 1.5588 2.3248 2.3720 2.6196 2.6899 3.0261 3.0725 3.3153 3.3482 3.4778 3.5373 3.8108 3.8411 4.2778 4.2957 4.4254 4.4594 4.5764 4.6154 4.8252 4.8312 9.1280 9.5915 10.9782 11.3462 12.2391 12.3016 12.4547 12.7264 13.1979 13.3027 k = 0.2857-0.1544-0.0426 ( 3649 PWs) bands (ev): -14.6768 -14.6730 -13.5262 -13.5144 -13.3406 -13.3328 -12.4994 -12.4947 -12.2555 -12.2462 -11.9471 -11.9463 -4.1315 -4.1189 -2.9356 -2.9217 -1.7038 -1.6794 -1.0314 -1.0082 -0.6402 -0.5912 -0.0729 -0.0338 0.6581 0.6659 1.2274 1.2885 1.5405 1.5674 2.3329 2.3850 2.6025 2.6780 3.0343 3.0766 3.3309 3.3516 3.4604 3.5322 3.8157 3.8489 4.2891 4.3069 4.4309 4.4581 4.5994 4.6447 4.8382 4.8456 9.1238 9.5861 10.9675 11.3371 12.2611 12.3291 12.4747 12.7493 13.1948 13.2997 k = 0.2976-0.1609-0.0444 ( 3648 PWs) bands (ev): -14.6533 -14.6494 -13.5323 -13.5205 -13.3330 -13.3252 -12.5110 -12.5064 -12.2728 -12.2635 -11.9503 -11.9495 -4.1635 -4.1512 -2.9348 -2.9209 -1.7111 -1.6855 -1.0306 -1.0102 -0.6311 -0.5807 -0.0557 -0.0149 0.6514 0.6619 1.2225 1.2812 1.5472 1.5751 2.3402 2.3963 2.5851 2.6648 3.0374 3.0753 3.3459 3.3551 3.4450 3.5288 3.8225 3.8576 4.3001 4.3173 4.4325 4.4546 4.6265 4.6756 4.8518 4.8610 9.1218 9.5801 10.9588 11.3279 12.2812 12.3563 12.4948 12.7720 13.1920 13.2968 k = 0.3095-0.1673-0.0462 ( 3653 PWs) bands (ev): -14.6295 -14.6255 -13.5391 -13.5275 -13.3254 -13.3176 -12.5226 -12.5180 -12.2895 -12.2802 -11.9533 -11.9525 -4.1943 -4.1822 -2.9342 -2.9204 -1.7202 -1.6936 -1.0326 -1.0129 -0.6187 -0.5679 -0.0366 0.0059 0.6461 0.6601 1.2179 1.2740 1.5531 1.5819 2.3466 2.4058 2.5675 2.6500 3.0354 3.0688 3.3538 3.3640 3.4338 3.5279 3.8307 3.8666 4.3104 4.3267 4.4316 4.4497 4.6564 4.7066 4.8660 4.8774 9.1218 9.5733 10.9522 11.3186 12.3000 12.3821 12.5149 12.7939 13.1896 13.2940 k = 0.3214-0.1737-0.0480 ( 3652 PWs) bands (ev): -14.6055 -14.6015 -13.5468 -13.5353 -13.3178 -13.3100 -12.5342 -12.5296 -12.3054 -12.2962 -11.9562 -11.9555 -4.2236 -4.2119 -2.9338 -2.9202 -1.7306 -1.7034 -1.0369 -1.0164 -0.6032 -0.5529 -0.0159 0.0283 0.6422 0.6602 1.2136 1.2670 1.5583 1.5877 2.3518 2.4128 2.5502 2.6338 3.0289 3.0578 3.3562 3.3738 3.4304 3.5298 3.8399 3.8758 4.3197 4.3343 4.4296 4.4443 4.6876 4.7368 4.8808 4.8950 9.1240 9.5656 10.9480 11.3094 12.3178 12.4058 12.5353 12.8147 13.1879 13.2913 k = 0.3333-0.1802-0.0497 ( 3651 PWs) bands (ev): -14.5814 -14.5773 -13.5552 -13.5439 -13.3102 -13.3025 -12.5455 -12.5411 -12.3205 -12.3115 -11.9589 -11.9583 -4.2513 -4.2401 -2.9335 -2.9202 -1.7421 -1.7147 -1.0427 -1.0208 -0.5852 -0.5363 0.0063 0.0522 0.6397 0.6618 1.2096 1.2604 1.5629 1.5925 2.3555 2.4163 2.5341 2.6162 3.0183 3.0430 3.3579 3.3769 3.4375 3.5343 3.8497 3.8848 4.3271 4.3392 4.4279 4.4393 4.7189 4.7653 4.8966 4.9140 9.1281 9.5569 10.9461 11.3002 12.3348 12.4271 12.5559 12.8338 13.1869 13.2888 k = 0.3452-0.1866-0.0515 ( 3653 PWs) bands (ev): -14.5574 -14.5533 -13.5644 -13.5534 -13.3027 -13.2951 -12.5565 -12.5522 -12.3348 -12.3260 -11.9616 -11.9610 -4.2775 -4.2668 -2.9333 -2.9204 -1.7545 -1.7273 -1.0494 -1.0261 -0.5655 -0.5186 0.0300 0.0775 0.6384 0.6647 1.2061 1.2540 1.5667 1.5964 2.3572 2.4149 2.5207 2.5976 3.0047 3.0258 3.3596 3.3755 3.4521 3.5410 3.8599 3.8937 4.3316 4.3404 4.4278 4.4359 4.7493 4.7915 4.9134 4.9344 9.1341 9.5471 10.9467 11.2909 12.3511 12.4458 12.5765 12.8507 13.1868 13.2865 k = 0.3571-0.1930-0.0533 ( 3652 PWs) bands (ev): -14.5336 -14.5295 -13.5742 -13.5636 -13.2953 -13.2880 -12.5672 -12.5630 -12.3481 -12.3397 -11.9641 -11.9635 -4.3020 -4.2918 -2.9332 -2.9208 -1.7673 -1.7408 -1.0563 -1.0322 -0.5449 -0.5007 0.0550 0.1040 0.6382 0.6687 1.2030 1.2480 1.5700 1.5994 2.3559 2.4071 2.5116 2.5790 2.9888 3.0072 3.3616 3.3732 3.4699 3.5494 3.8705 3.9025 4.3321 4.3374 4.4295 4.4355 4.7780 4.8148 4.9314 4.9561 9.1419 9.5362 10.9499 11.2817 12.3667 12.4620 12.5969 12.8649 13.1876 13.2843 k = 0.3690-0.1995-0.0551 ( 3654 PWs) bands (ev): -14.5101 -14.5061 -13.5846 -13.5744 -13.2882 -13.2810 -12.5774 -12.5734 -12.3605 -12.3524 -11.9664 -11.9659 -4.3247 -4.3152 -2.9331 -2.9213 -1.7803 -1.7548 -1.0632 -1.0388 -0.5241 -0.4831 0.0812 0.1314 0.6390 0.6734 1.2003 1.2423 1.5727 1.6015 2.3502 2.3931 2.5071 2.5617 2.9717 2.9883 3.3638 3.3717 3.4887 3.5586 3.8815 3.9113 4.3278 4.3307 4.4327 4.4388 4.8042 4.8352 4.9507 4.9788 9.1514 9.5242 10.9556 11.2723 12.3815 12.4757 12.6171 12.8760 13.1896 13.2822 k = 0.3810-0.2059-0.0568 ( 3656 PWs) bands (ev): -14.4873 -14.4834 -13.5953 -13.5857 -13.2812 -13.2744 -12.5871 -12.5832 -12.3719 -12.3642 -11.9686 -11.9681 -4.3456 -4.3367 -2.9331 -2.9220 -1.7932 -1.7690 -1.0697 -1.0455 -0.5038 -0.4663 0.1085 0.1595 0.6406 0.6784 1.1981 1.2369 1.5750 1.6029 2.3389 2.3748 2.5057 2.5474 2.9542 2.9698 3.3662 3.3713 3.5072 3.5683 3.8931 3.9203 4.3184 4.3216 4.4376 4.4446 4.8276 4.8528 4.9712 5.0017 9.1625 9.5109 10.9636 11.2627 12.3956 12.4871 12.6369 12.8839 13.1926 13.2803 k = 0.3929-0.2123-0.0586 ( 3654 PWs) bands (ev): -14.4653 -14.4615 -13.6063 -13.5972 -13.2746 -13.2682 -12.5961 -12.5924 -12.3822 -12.3750 -11.9706 -11.9702 -4.3645 -4.3564 -2.9330 -2.9227 -1.8057 -1.7831 -1.0756 -1.0523 -0.4845 -0.4508 0.1366 0.1879 0.6429 0.6835 1.1965 1.2318 1.5769 1.6036 2.3214 2.3541 2.5059 2.5374 2.9370 2.9522 3.3686 3.3721 3.5249 3.5777 3.9053 3.9296 4.3057 4.3101 4.4438 4.4516 4.8479 4.8679 4.9925 5.0243 9.1750 9.4965 10.9740 11.2527 12.4090 12.4962 12.6563 12.8885 13.1968 13.2784 k = 0.4048-0.2188-0.0604 ( 3658 PWs) bands (ev): -14.4443 -14.4407 -13.6172 -13.6088 -13.2684 -13.2624 -12.6043 -12.6009 -12.3914 -12.3848 -11.9724 -11.9720 -4.3816 -4.3743 -2.9329 -2.9235 -1.8174 -1.7968 -1.0808 -1.0589 -0.4668 -0.4369 0.1651 0.2161 0.6457 0.6883 1.1953 1.2271 1.5785 1.6037 2.2992 2.3315 2.5066 2.5323 2.9208 2.9358 3.3710 3.3740 3.5414 3.5864 3.9183 3.9396 4.2912 4.2963 4.4508 4.4587 4.8651 4.8808 5.0142 5.0458 9.1889 9.4810 10.9865 11.2423 12.4216 12.5033 12.6751 12.8898 13.2019 13.2764 k = 0.4167-0.2252-0.0622 ( 3661 PWs) bands (ev): -14.4247 -14.4213 -13.6278 -13.6202 -13.2626 -13.2572 -12.6118 -12.6086 -12.3995 -12.3936 -11.9740 -11.9737 -4.3967 -4.3902 -2.9327 -2.9243 -1.8282 -1.8097 -1.0853 -1.0652 -0.4507 -0.4248 0.1935 0.2433 0.6490 0.6924 1.1946 1.2227 1.5798 1.6033 2.2749 2.3070 2.5078 2.5309 2.9060 2.9207 3.3734 3.3765 3.5563 3.5941 3.9320 3.9502 4.2754 4.2810 4.4580 4.4656 4.8796 4.8918 5.0355 5.0657 9.2040 9.4645 11.0009 11.2311 12.4336 12.5083 12.6935 12.8879 13.2078 13.2744 k = 0.4286-0.2317-0.0639 ( 3661 PWs) bands (ev): -14.4066 -14.4036 -13.6379 -13.6312 -13.2574 -13.2526 -12.6183 -12.6155 -12.4065 -12.4013 -11.9754 -11.9752 -4.4098 -4.4041 -2.9325 -2.9252 -1.8379 -1.8217 -1.0889 -1.0711 -0.4366 -0.4146 0.2213 0.2687 0.6527 0.6955 1.1943 1.2186 1.5811 1.6025 2.2505 2.2815 2.5100 2.5315 2.8930 2.9069 3.3759 3.3791 3.5694 3.6005 3.9464 3.9615 4.2590 4.2648 4.4650 4.4720 4.8917 4.9011 5.0557 5.0834 9.2201 9.4471 11.0168 11.2192 12.4448 12.5114 12.7116 12.8832 13.2142 13.2722 k = 0.4405-0.2381-0.0657 ( 3661 PWs) bands (ev): -14.3906 -14.3879 -13.6471 -13.6413 -13.2527 -13.2486 -12.6239 -12.6215 -12.4123 -12.4079 -11.9767 -11.9764 -4.4208 -4.4160 -2.9323 -2.9260 -1.8461 -1.8325 -1.0917 -1.0764 -0.4245 -0.4063 0.2478 0.2913 0.6569 0.6974 1.1945 1.2148 1.5824 1.6012 2.2278 2.2563 2.5131 2.5328 2.8819 2.8947 3.3785 3.3817 3.5806 3.6056 3.9610 3.9733 4.2426 4.2482 4.4713 4.4774 4.9016 4.9087 5.0742 5.0985 9.2372 9.4290 11.0340 11.2064 12.4553 12.5127 12.7293 12.8758 13.2209 13.2698 k = 0.4524-0.2445-0.0675 ( 3660 PWs) bands (ev): -14.3768 -14.3745 -13.6551 -13.6503 -13.2487 -13.2454 -12.6285 -12.6265 -12.4171 -12.4134 -11.9776 -11.9775 -4.4298 -4.4259 -2.9319 -2.9268 -1.8528 -1.8418 -1.0937 -1.0812 -0.4143 -0.4000 0.2721 0.3102 0.6616 0.6978 1.1951 1.2114 1.5837 1.5996 2.2082 2.2328 2.5168 2.5340 2.8730 2.8842 3.3811 3.3839 3.5900 3.6093 3.9756 3.9852 4.2268 4.2320 4.4769 4.4820 4.9095 4.9148 5.0905 5.1107 9.2551 9.4102 11.0522 11.1926 12.4651 12.5123 12.7467 12.8663 13.2276 13.2671 k = 0.4643-0.2510-0.0693 ( 3664 PWs) bands (ev): -14.3656 -14.3638 -13.6615 -13.6579 -13.2455 -13.2429 -12.6321 -12.6306 -12.4206 -12.4179 -11.9784 -11.9783 -4.4366 -4.4337 -2.9315 -2.9276 -1.8579 -1.8495 -1.0948 -1.0853 -0.4061 -0.3955 0.2936 0.3244 0.6669 0.6966 1.1960 1.2082 1.5853 1.5977 2.1926 2.2123 2.5209 2.5346 2.8664 2.8753 3.3834 3.3857 3.5976 3.6116 3.9892 3.9963 4.2126 4.2170 4.4815 4.4854 4.9157 4.9194 5.1042 5.1198 9.2736 9.3910 11.0708 11.1777 12.4742 12.5104 12.7638 12.8549 13.2341 13.2639 k = 0.4762-0.2574-0.0710 ( 3665 PWs) bands (ev): -14.3572 -14.3560 -13.6662 -13.6637 -13.2430 -13.2412 -12.6346 -12.6336 -12.4230 -12.4212 -11.9790 -11.9789 -4.4414 -4.4395 -2.9310 -2.9284 -1.8612 -1.8556 -1.0952 -1.0887 -0.3999 -0.3928 0.3115 0.3333 0.6726 0.6938 1.1972 1.2054 1.5870 1.5956 2.1820 2.1957 2.5248 2.5344 2.8622 2.8684 3.3853 3.3869 3.6035 3.6126 4.0008 4.0056 4.2011 4.2044 4.4850 4.4877 4.9202 4.9225 5.1150 5.1256 9.2926 9.3714 11.0898 11.1617 12.4826 12.5070 12.7806 12.8420 13.2403 13.2602 k = 0.4881-0.2638-0.0728 ( 3665 PWs) bands (ev): -14.3520 -14.3514 -13.6688 -13.6676 -13.2413 -13.2404 -12.6360 -12.6355 -12.4243 -12.4234 -11.9793 -11.9792 -4.4441 -4.4431 -2.9304 -2.9291 -1.8626 -1.8598 -1.0947 -1.0915 -0.3954 -0.3919 0.3250 0.3363 0.6786 0.6897 1.1988 1.2029 1.5890 1.5934 2.1769 2.1839 2.5284 2.5333 2.8603 2.8635 3.3866 3.3875 3.6078 3.6123 4.0092 4.0116 4.1937 4.1955 4.4875 4.4888 4.9230 4.9242 5.1227 5.1280 9.3121 9.3516 11.1086 11.1448 12.4901 12.5025 12.7970 12.8279 13.2461 13.2561 k = 0.5000-0.2703-0.0746 ( 3670 PWs) bands (ev): -14.3500 -14.3500 -13.6693 -13.6693 -13.2404 -13.2404 -12.6363 -12.6363 -12.4244 -12.4244 -11.9794 -11.9794 -4.4447 -4.4447 -2.9298 -2.9298 -1.8621 -1.8621 -1.0935 -1.0935 -0.3928 -0.3928 0.3334 0.3334 0.6845 0.6845 1.2007 1.2007 1.5911 1.5911 2.1776 2.1776 2.5312 2.5312 2.8607 2.8607 3.3874 3.3874 3.6107 3.6107 4.0130 4.0130 4.1917 4.1917 4.4887 4.4887 4.9244 4.9244 5.1270 5.1270 9.3318 9.3318 11.1270 11.1270 12.4968 12.4968 12.8128 12.8128 13.2513 13.2513 k = 0.5000-0.2703 0.2752 ( 3670 PWs) bands (ev): -14.2673 -14.2673 -13.6483 -13.6483 -13.4281 -13.4281 -12.7730 -12.7730 -12.2299 -12.2299 -11.9413 -11.9413 -4.6500 -4.6500 -2.6705 -2.6705 -1.3992 -1.3992 -1.0826 -1.0826 -0.4482 -0.4482 -0.0941 -0.0941 0.6824 0.6824 1.0309 1.0309 1.2937 1.2937 1.9985 1.9985 2.5410 2.5410 3.3557 3.3557 3.4322 3.4322 3.6695 3.6695 4.0928 4.0928 4.3278 4.3278 4.5051 4.5051 4.7233 4.7233 4.9588 4.9588 9.5939 9.5939 11.2393 11.2393 12.4771 12.4771 12.6395 12.6395 13.2593 13.2593 k = 0.4894-0.2645 0.2693 ( 3671 PWs) bands (ev): -14.2685 -14.2682 -13.6534 -13.6503 -13.4254 -13.4219 -12.7729 -12.7726 -12.2301 -12.2296 -11.9414 -11.9413 -4.6494 -4.6484 -2.6708 -2.6704 -1.4026 -1.3983 -1.0845 -1.0802 -0.4490 -0.4465 -0.0953 -0.0927 0.6793 0.6812 1.0310 1.0362 1.2913 1.2948 1.9927 2.0063 2.5343 2.5473 3.3549 3.3565 3.4297 3.4343 3.6658 3.6707 4.0923 4.0945 4.3258 4.3285 4.5012 4.5061 4.7211 4.7268 4.9588 4.9595 9.5843 9.6013 11.2332 11.2445 12.4740 12.4791 12.6364 12.6432 13.2509 13.2669 k = 0.4787-0.2588 0.2635 ( 3669 PWs) bands (ev): -14.2716 -14.2710 -13.6645 -13.6589 -13.4142 -13.4077 -12.7723 -12.7717 -12.2304 -12.2292 -11.9416 -11.9414 -4.6467 -4.6445 -2.6712 -2.6703 -1.4085 -1.4000 -1.0858 -1.0774 -0.4489 -0.4439 -0.0964 -0.0911 0.6723 0.6760 1.0360 1.0463 1.2878 1.2949 1.9890 2.0159 2.5273 2.5533 3.3541 3.3573 3.4271 3.4363 3.6598 3.6695 4.0931 4.0973 4.3225 4.3278 4.4946 4.5042 4.7202 4.7313 4.9594 4.9607 9.5726 9.6064 11.2262 11.2488 12.4696 12.4798 12.6339 12.6477 13.2417 13.2737 k = 0.4681-0.2530 0.2576 ( 3665 PWs) bands (ev): -14.2766 -14.2758 -13.6795 -13.6723 -13.3964 -13.3879 -12.7711 -12.7702 -12.2306 -12.2288 -11.9419 -11.9416 -4.6418 -4.6386 -2.6717 -2.6703 -1.4167 -1.4041 -1.0865 -1.0742 -0.4480 -0.4406 -0.0974 -0.0893 0.6625 0.6673 1.0448 1.0599 1.2838 1.2946 1.9874 2.0271 2.5199 2.5590 3.3529 3.3580 3.4244 3.4383 3.6515 3.6659 4.0948 4.1010 4.3179 4.3257 4.4859 4.5001 4.7203 4.7361 4.9607 4.9627 9.5589 9.6093 11.2184 11.2524 12.4641 12.4792 12.6319 12.6529 13.2319 13.2795 k = 0.4574-0.2473 0.2517 ( 3665 PWs) bands (ev): -14.2837 -14.2826 -13.6966 -13.6884 -13.3740 -13.3642 -12.7693 -12.7681 -12.2307 -12.2284 -11.9422 -11.9418 -4.6348 -4.6305 -2.6723 -2.6705 -1.4268 -1.4106 -1.0870 -1.0708 -0.4463 -0.4365 -0.0983 -0.0874 0.6509 0.6564 1.0559 1.0754 1.2799 1.2948 1.9876 2.0396 2.5123 2.5643 3.3511 3.3584 3.4219 3.4406 3.6410 3.6600 4.0973 4.1054 4.3122 4.3221 4.4759 4.4942 4.7210 4.7406 4.9627 4.9655 9.5433 9.6100 11.2096 11.2554 12.4574 12.4774 12.6301 12.6587 13.2216 13.2844 k = 0.4468-0.2415 0.2459 ( 3665 PWs) bands (ev): -14.2928 -14.2913 -13.7143 -13.7056 -13.3489 -13.3381 -12.7670 -12.7655 -12.2307 -12.2278 -11.9427 -11.9422 -4.6256 -4.6202 -2.6731 -2.6709 -1.4387 -1.4191 -1.0871 -1.0675 -0.4440 -0.4318 -0.0993 -0.0853 0.6382 0.6447 1.0673 1.0907 1.2773 1.2969 1.9897 2.0529 2.5043 2.5692 3.3483 3.3581 3.4202 3.4434 3.6287 3.6520 4.1000 4.1100 4.3052 4.3168 4.4654 4.4873 4.7217 4.7441 4.9655 4.9691 9.5260 9.6085 11.2001 11.2579 12.4496 12.4744 12.6285 12.6648 13.2110 13.2885 k = 0.4362-0.2358 0.2400 ( 3670 PWs) bands (ev): -14.3038 -14.3020 -13.7317 -13.7228 -13.3220 -13.3106 -12.7641 -12.7622 -12.2307 -12.2272 -11.9432 -11.9426 -4.6143 -4.6079 -2.6741 -2.6715 -1.4521 -1.4295 -1.0873 -1.0643 -0.4412 -0.4267 -0.1004 -0.0833 0.6253 0.6332 1.0773 1.1040 1.2770 1.3022 1.9933 2.0667 2.4963 2.5738 3.3439 3.3565 3.4200 3.4471 3.6148 3.6421 4.1026 4.1141 4.2971 4.3099 4.4553 4.4803 4.7220 4.7462 4.9690 4.9736 9.5071 9.6050 11.1900 11.2601 12.4407 12.4702 12.6267 12.6711 13.2004 13.2918 k = 0.4255-0.2300 0.2342 ( 3673 PWs) bands (ev): -14.3168 -14.3146 -13.7482 -13.7393 -13.2944 -13.2826 -12.7604 -12.7583 -12.2305 -12.2264 -11.9437 -11.9431 -4.6009 -4.5935 -2.6753 -2.6724 -1.4666 -1.4413 -1.0875 -1.0614 -0.4380 -0.4213 -0.1018 -0.0813 0.6127 0.6230 1.0844 1.1134 1.2802 1.3118 1.9984 2.0806 2.4881 2.5778 3.3377 3.3528 3.4221 3.4517 3.5997 3.6306 4.1043 4.1174 4.2879 4.3012 4.4465 4.4737 4.7214 4.7466 4.9730 4.9790 9.4869 9.5996 11.1793 11.2620 12.4308 12.4648 12.6248 12.6772 13.1900 13.2944 k = 0.4149-0.2243 0.2283 ( 3672 PWs) bands (ev): -14.3317 -14.3291 -13.7635 -13.7546 -13.2666 -13.2545 -12.7560 -12.7535 -12.2301 -12.2254 -11.9443 -11.9436 -4.5854 -4.5771 -2.6769 -2.6736 -1.4819 -1.4544 -1.0879 -1.0590 -0.4346 -0.4158 -0.1033 -0.0794 0.6011 0.6145 1.0881 1.1182 1.2873 1.3262 2.0050 2.0944 2.4800 2.5813 3.3295 3.3463 3.4270 3.4573 3.5840 3.6178 4.1047 4.1191 4.2776 4.2908 4.4396 4.4682 4.7197 4.7451 4.9776 4.9851 9.4656 9.5926 11.1684 11.2640 12.4198 12.4580 12.6224 12.6829 13.1802 13.2964 k = 0.4043-0.2185 0.2225 ( 3667 PWs) bands (ev): -14.3483 -14.3454 -13.7772 -13.7685 -13.2391 -13.2270 -12.7507 -12.7480 -12.2295 -12.2242 -11.9449 -11.9441 -4.5679 -4.5586 -2.6788 -2.6752 -1.4979 -1.4684 -1.0887 -1.0571 -0.4311 -0.4104 -0.1051 -0.0778 0.5909 0.6081 1.0888 1.1186 1.2979 1.3447 2.0131 2.1080 2.4720 2.5842 3.3191 3.3368 3.4346 3.4630 3.5686 3.6041 4.1031 4.1188 4.2664 4.2791 4.4350 4.4641 4.7169 4.7419 4.9824 4.9917 9.4433 9.5840 11.1574 11.2660 12.4077 12.4500 12.6196 12.6878 13.1712 13.2978 k = 0.3936-0.2128 0.2166 ( 3670 PWs) bands (ev): -14.3666 -14.3634 -13.7893 -13.7808 -13.2125 -13.2003 -12.7445 -12.7415 -12.2286 -12.2227 -11.9454 -11.9446 -4.5485 -4.5383 -2.6812 -2.6774 -1.5143 -1.4831 -1.0900 -1.0557 -0.4278 -0.4052 -0.1072 -0.0764 0.5825 0.6040 1.0873 1.1158 1.3108 1.3660 2.0227 2.1213 2.4642 2.5863 3.3065 3.3244 3.4441 3.4674 3.5554 3.5904 4.0991 4.1161 4.2543 4.2662 4.4330 4.4619 4.7128 4.7372 4.9873 4.9983 9.4204 9.5743 11.1464 11.2683 12.3945 12.4407 12.6161 12.6916 13.1632 13.2988 k = 0.3830-0.2070 0.2108 ( 3667 PWs) bands (ev): -14.3864 -14.3828 -13.7997 -13.7914 -13.1872 -13.1751 -12.7372 -12.7340 -12.2274 -12.2209 -11.9459 -11.9451 -4.5271 -4.5160 -2.6840 -2.6800 -1.5309 -1.4984 -1.0918 -1.0550 -0.4247 -0.4005 -0.1095 -0.0753 0.5762 0.6023 1.0848 1.1111 1.3247 1.3890 2.0338 2.1342 2.4568 2.5877 3.2918 3.3089 3.4545 3.4673 3.5473 3.5781 4.0921 4.1110 4.2414 4.2525 4.4336 4.4616 4.7078 4.7311 4.9921 5.0047 9.3970 9.5636 11.1356 11.2709 12.3803 12.4299 12.6118 12.6940 13.1567 13.2994 k = 0.3723-0.2013 0.2049 ( 3666 PWs) bands (ev): -14.4075 -14.4036 -13.8084 -13.8002 -13.1635 -13.1515 -12.7287 -12.7253 -12.2257 -12.2188 -11.9464 -11.9455 -4.5038 -4.4919 -2.6875 -2.6832 -1.5474 -1.5139 -1.0942 -1.0549 -0.4219 -0.3963 -0.1119 -0.0745 0.5721 0.6028 1.0820 1.1057 1.3385 1.4125 2.0465 2.1468 2.4499 2.5885 3.2749 3.2906 3.4586 3.4644 3.5466 3.5700 4.0822 4.1033 4.2279 4.2381 4.4365 4.4633 4.7017 4.7239 4.9964 5.0104 9.3735 9.5523 11.1253 11.2738 12.3650 12.4178 12.6067 12.6950 13.1516 13.2998 k = 0.3617-0.1955 0.1991 ( 3664 PWs) bands (ev): -14.4298 -14.4256 -13.8155 -13.8075 -13.1418 -13.1300 -12.7189 -12.7153 -12.2237 -12.2161 -11.9467 -11.9459 -4.4787 -4.4660 -2.6915 -2.6871 -1.5638 -1.5295 -1.0972 -1.0554 -0.4195 -0.3928 -0.1143 -0.0741 0.5704 0.6055 1.0798 1.1002 1.3516 1.4355 2.0606 2.1592 2.4438 2.5887 3.2559 3.2697 3.4444 3.4674 3.5514 3.5714 4.0695 4.0934 4.2137 4.2233 4.4414 4.4667 4.6949 4.7159 5.0001 5.0153 9.3502 9.5407 11.1157 11.2772 12.3487 12.4043 12.6007 12.6942 13.1482 13.3000 k = 0.3511-0.1898 0.1932 ( 3663 PWs) bands (ev): -14.4529 -14.4485 -13.8211 -13.8131 -13.1224 -13.1110 -12.7076 -12.7039 -12.2210 -12.2130 -11.9470 -11.9461 -4.4519 -4.4385 -2.6962 -2.6918 -1.5800 -1.5450 -1.1008 -1.0565 -0.4176 -0.3901 -0.1167 -0.0740 0.5711 0.6101 1.0788 1.0953 1.3634 1.4574 2.0759 2.1714 2.4387 2.5887 3.2348 3.2463 3.4252 3.4621 3.5612 3.5830 4.0541 4.0815 4.1990 4.2080 4.4479 4.4717 4.6873 4.7074 5.0028 5.0189 9.3272 9.5290 11.1068 11.2810 12.3315 12.3893 12.5937 12.6916 13.1465 13.3003 k = 0.3404-0.1840 0.1873 ( 3671 PWs) bands (ev): -14.4769 -14.4722 -13.8251 -13.8172 -13.1057 -13.0946 -12.6949 -12.6912 -12.2178 -12.2093 -11.9472 -11.9463 -4.4234 -4.4093 -2.7017 -2.6972 -1.5957 -1.5604 -1.1050 -1.0582 -0.4162 -0.3882 -0.1189 -0.0741 0.5741 0.6165 1.0793 1.0914 1.3738 1.4777 2.0922 2.1832 2.4348 2.5886 3.2116 3.2209 3.4035 3.4488 3.5774 3.6004 4.0368 4.0678 4.1838 4.1924 4.4554 4.4777 4.6792 4.6984 5.0044 5.0210 9.3049 9.5177 11.0989 11.2852 12.3135 12.3729 12.5856 12.6873 13.1465 13.3007 k = 0.3298-0.1783 0.1815 ( 3670 PWs) bands (ev): -14.5013 -14.4965 -13.8278 -13.8198 -13.0917 -13.0810 -12.6807 -12.6770 -12.2139 -12.2049 -11.9472 -11.9464 -4.3933 -4.3786 -2.7079 -2.7035 -1.6109 -1.5754 -1.1097 -1.0605 -0.4154 -0.3872 -0.1209 -0.0745 0.5794 0.6245 1.0816 1.0887 1.3829 1.4959 2.1089 2.1947 2.4326 2.5888 3.1859 3.1944 3.3800 3.4305 3.5982 3.6207 4.0177 4.0525 4.1686 4.1767 4.4636 4.4846 4.6707 4.6893 5.0046 5.0215 9.2836 9.5070 11.0920 11.2898 12.2948 12.3551 12.5765 12.6812 13.1480 13.3012 k = 0.3191-0.1725 0.1756 ( 3668 PWs) bands (ev): -14.5262 -14.5212 -13.8291 -13.8211 -13.0806 -13.0703 -12.6652 -12.6615 -12.2093 -12.1998 -11.9472 -11.9463 -4.3617 -4.3464 -2.7149 -2.7105 -1.6256 -1.5901 -1.1149 -1.0633 -0.4152 -0.3870 -0.1226 -0.0750 0.5869 0.6339 1.0854 1.0875 1.3908 1.5119 2.1257 2.2055 2.4323 2.5896 3.1575 3.1677 3.3552 3.4091 3.6218 3.6428 3.9975 4.0358 4.1534 4.1610 4.4721 4.4919 4.6618 4.6802 5.0033 5.0202 9.2635 9.4972 11.0864 11.2947 12.2756 12.3359 12.5665 12.6735 13.1510 13.3021 k = 0.3085-0.1668 0.1698 ( 3667 PWs) bands (ev): -14.5512 -14.5462 -13.8292 -13.8212 -13.0725 -13.0625 -12.6484 -12.6448 -12.2038 -12.1940 -11.9469 -11.9461 -4.3287 -4.3129 -2.7227 -2.7185 -1.6397 -1.6043 -1.1205 -1.0665 -0.4157 -0.3877 -0.1239 -0.0755 0.5964 0.6445 1.0871 1.0916 1.3978 1.5256 2.1419 2.2155 2.4341 2.5912 3.1269 3.1408 3.3294 3.3857 3.6469 3.6659 3.9764 4.0178 4.1387 4.1456 4.4803 4.4992 4.6526 4.6710 5.0002 5.0170 9.2449 9.4885 11.0821 11.3000 12.2560 12.3152 12.5556 12.6643 13.1552 13.3032 k = 0.2979-0.1610 0.1639 ( 3670 PWs) bands (ev): -14.5763 -14.5712 -13.8282 -13.8201 -13.0672 -13.0575 -12.6307 -12.6272 -12.1975 -12.1874 -11.9466 -11.9457 -4.2943 -4.2782 -2.7314 -2.7273 -1.6532 -1.6180 -1.1265 -1.0701 -0.4168 -0.3892 -0.1247 -0.0760 0.6080 0.6562 1.0885 1.0989 1.4041 1.5370 2.1573 2.2245 2.4380 2.5937 3.0949 3.1138 3.3029 3.3608 3.6727 3.6894 3.9548 3.9988 4.1245 4.1308 4.4879 4.5063 4.6432 4.6620 4.9953 5.0117 9.2281 9.4811 11.0792 11.3055 12.2363 12.2931 12.5440 12.6538 13.1604 13.3047 k = 0.2872-0.1553 0.1581 ( 3668 PWs) bands (ev): -14.6013 -14.5962 -13.8260 -13.8178 -13.0646 -13.0552 -12.6123 -12.6089 -12.1903 -12.1800 -11.9460 -11.9452 -4.2588 -4.2423 -2.7409 -2.7369 -1.6661 -1.6311 -1.1328 -1.0739 -0.4187 -0.3915 -0.1251 -0.0763 0.6213 0.6689 1.0912 1.1076 1.4100 1.5459 2.1716 2.2324 2.4437 2.5970 3.0623 3.0868 3.2760 3.3349 3.6985 3.7125 3.9331 3.9793 4.1113 4.1168 4.4948 4.5128 4.6336 4.6529 4.9884 5.0044 9.2134 9.4752 11.0778 11.3111 12.2165 12.2698 12.5319 12.6420 13.1665 13.3066 k = 0.2766-0.1495 0.1522 ( 3665 PWs) bands (ev): -14.6262 -14.6210 -13.8228 -13.8145 -13.0646 -13.0554 -12.5935 -12.5902 -12.1822 -12.1717 -11.9453 -11.9446 -4.2222 -4.2054 -2.7512 -2.7473 -1.6783 -1.6437 -1.1392 -1.0780 -0.4213 -0.3947 -0.1248 -0.0763 0.6363 0.6827 1.0951 1.1175 1.4157 1.5526 2.1847 2.2395 2.4507 2.6009 3.0295 3.0599 3.2489 3.3084 3.7231 3.7345 3.9121 3.9600 4.0989 4.1040 4.5004 4.5186 4.6238 4.6439 4.9795 4.9951 9.2008 9.4710 11.0779 11.3169 12.1967 12.2454 12.5194 12.6291 13.1731 13.3087 k = 0.2660-0.1438 0.1464 ( 3665 PWs) bands (ev): -14.6507 -14.6456 -13.8187 -13.8103 -13.0670 -13.0579 -12.5746 -12.5714 -12.1732 -12.1626 -11.9445 -11.9437 -4.1847 -4.1677 -2.7623 -2.7585 -1.6900 -1.6557 -1.1456 -1.0823 -0.4249 -0.3988 -0.1238 -0.0759 0.6529 0.6973 1.1002 1.1281 1.4213 1.5570 2.1965 2.2461 2.4581 2.6047 2.9970 3.0334 3.2223 3.2819 3.7449 3.7544 3.8929 3.9420 4.0874 4.0927 4.5046 4.5234 4.6141 4.6349 4.9688 4.9838 9.1907 9.4686 11.0797 11.3227 12.1770 12.2202 12.5067 12.6152 13.1801 13.3112 k = 0.2553-0.1380 0.1405 ( 3660 PWs) bands (ev): -14.6748 -14.6698 -13.8136 -13.8050 -13.0716 -13.0625 -12.5557 -12.5527 -12.1633 -12.1526 -11.9434 -11.9427 -4.1464 -4.1292 -2.7740 -2.7703 -1.7010 -1.6671 -1.1520 -1.0866 -0.4295 -0.4038 -0.1218 -0.0747 0.6709 0.7129 1.1065 1.1394 1.4268 1.5592 2.2072 2.2527 2.4651 2.6076 2.9654 3.0074 3.1969 3.2558 3.7614 3.7697 3.8785 3.9275 4.0769 4.0829 4.5068 4.5271 4.6044 4.6257 4.9562 4.9705 9.1832 9.4679 11.0831 11.3285 12.1570 12.1949 12.4939 12.6005 13.1874 13.3138 k = 0.2447-0.1323 0.1347 ( 3656 PWs) bands (ev): -14.6984 -14.6934 -13.8076 -13.7989 -13.0782 -13.0690 -12.5372 -12.5344 -12.1525 -12.1419 -11.9422 -11.9415 -4.1073 -4.0901 -2.7863 -2.7827 -1.7115 -1.6780 -1.1582 -1.0908 -0.4353 -0.4099 -0.1188 -0.0727 0.6900 0.7293 1.1139 1.1510 1.4321 1.5594 2.2167 2.2598 2.4708 2.6089 2.9351 2.9815 3.1734 3.2308 3.7694 3.7758 3.8737 3.9192 4.0674 4.0747 4.5068 4.5294 4.5950 4.6162 4.9419 4.9555 9.1783 9.4690 11.0881 11.3342 12.1360 12.1703 12.4811 12.5850 13.1948 13.3167 k = 0.2340-0.1265 0.1288 ( 3657 PWs) bands (ev): -14.7214 -14.7166 -13.8007 -13.7919 -13.0866 -13.0773 -12.5193 -12.5166 -12.1409 -12.1304 -11.9409 -11.9401 -4.0678 -4.0505 -2.7992 -2.7957 -1.7214 -1.6884 -1.1641 -1.0949 -0.4424 -0.4172 -0.1146 -0.0697 0.7103 0.7465 1.1224 1.1628 1.4370 1.5576 2.2248 2.2679 2.4749 2.6077 2.9064 2.9555 3.1529 3.2078 3.7669 3.7702 3.8814 3.9191 4.0591 4.0680 4.5039 4.5301 4.5862 4.6066 4.9262 4.9390 9.1762 9.4718 11.0948 11.3399 12.1128 12.1482 12.4683 12.5690 13.2023 13.3196 k = 0.2234-0.1208 0.1229 ( 3655 PWs) bands (ev): -14.7438 -14.7391 -13.7930 -13.7841 -13.0966 -13.0872 -12.5020 -12.4994 -12.1286 -12.1184 -11.9393 -11.9385 -4.0280 -4.0107 -2.8125 -2.8091 -1.7308 -1.6983 -1.1697 -1.0988 -0.4509 -0.4257 -0.1091 -0.0655 0.7313 0.7644 1.1320 1.1748 1.4411 1.5541 2.2313 2.2770 2.4774 2.6035 2.8793 2.9289 3.1362 3.1876 3.7536 3.7583 3.8973 3.9262 4.0522 4.0628 4.4976 4.5289 4.5782 4.5966 4.9094 4.9212 9.1769 9.4762 11.1032 11.3455 12.0869 12.1292 12.4557 12.5524 13.2096 13.3225 k = 0.2128-0.1150 0.1171 ( 3652 PWs) bands (ev): -14.7654 -14.7609 -13.7845 -13.7755 -13.1081 -13.0986 -12.4855 -12.4830 -12.1158 -12.1058 -11.9376 -11.9368 -3.9879 -3.9708 -2.8262 -2.8228 -1.7397 -1.7077 -1.1747 -1.1024 -0.4611 -0.4356 -0.1020 -0.0600 0.7531 0.7829 1.1426 1.1868 1.4440 1.5492 2.2359 2.2869 2.4789 2.5963 2.8533 2.9013 3.1238 3.1709 3.7352 3.7421 3.9163 3.9377 4.0467 4.0593 4.4878 4.5253 4.5711 4.5867 4.8918 4.9025 9.1804 9.4822 11.1132 11.3511 12.0588 12.1132 12.4431 12.5354 13.2167 13.3253 k = 0.2021-0.1093 0.1112 ( 3651 PWs) bands (ev): -14.7863 -14.7819 -13.7753 -13.7661 -13.1210 -13.1113 -12.4699 -12.4675 -12.1025 -12.0929 -11.9356 -11.9348 -3.9479 -3.9310 -2.8400 -2.8367 -1.7482 -1.7167 -1.1792 -1.1056 -0.4729 -0.4470 -0.0934 -0.0531 0.7754 0.8020 1.1543 1.1989 1.4455 1.5429 2.2380 2.2964 2.4805 2.5870 2.8277 2.8729 3.1157 3.1584 3.7155 3.7232 3.9354 3.9504 4.0432 4.0578 4.4743 4.5187 4.5648 4.5772 4.8738 4.8833 9.1866 9.4894 11.1248 11.3567 12.0296 12.0993 12.4306 12.5182 13.2237 13.3281 k = 0.1915-0.1035 0.1054 ( 3644 PWs) bands (ev): -14.8064 -14.8021 -13.7653 -13.7559 -13.1350 -13.1251 -12.4552 -12.4529 -12.0890 -12.0797 -11.9334 -11.9326 -3.9081 -3.8914 -2.8538 -2.8507 -1.7561 -1.7253 -1.1829 -1.1083 -0.4863 -0.4598 -0.0833 -0.0446 0.7979 0.8215 1.1669 1.2109 1.4450 1.5358 2.2372 2.3042 2.4835 2.5771 2.8012 2.8446 3.1113 3.1502 3.6959 3.7035 3.9525 3.9620 4.0421 4.0589 4.4575 4.5083 4.5588 4.5685 4.8557 4.8641 9.1954 9.4977 11.1379 11.3622 11.9998 12.0872 12.4182 12.5009 13.2304 13.3306 k = 0.1809-0.0978 0.0995 ( 3642 PWs) bands (ev): -14.8256 -14.8215 -13.7545 -13.7451 -13.1501 -13.1401 -12.4414 -12.4392 -12.0755 -12.0666 -11.9309 -11.9301 -3.8687 -3.8523 -2.8676 -2.8646 -1.7637 -1.7335 -1.1858 -1.1104 -0.5014 -0.4740 -0.0716 -0.0348 0.8206 0.8414 1.1804 1.2230 1.4424 1.5280 2.2328 2.3089 2.4886 2.5689 2.7730 2.8179 3.1099 3.1462 3.6771 3.6840 3.9647 3.9716 4.0446 4.0633 4.4378 4.4940 4.5529 4.5608 4.8379 4.8453 9.2067 9.5069 11.1525 11.3679 11.9701 12.0763 12.4058 12.4836 13.2368 13.3329 k = 0.1702-0.0920 0.0937 ( 3643 PWs) bands (ev): -14.8438 -14.8400 -13.7431 -13.7335 -13.1661 -13.1559 -12.4286 -12.4265 -12.0621 -12.0537 -11.9282 -11.9273 -3.8299 -3.8140 -2.8813 -2.8784 -1.7708 -1.7414 -1.1878 -1.1119 -0.5180 -0.4896 -0.0584 -0.0236 0.8434 0.8615 1.1947 1.2349 1.4375 1.5198 2.2246 2.3088 2.4955 2.5650 2.7425 2.7944 3.1107 3.1458 3.6594 3.6657 3.9697 3.9786 4.0517 4.0714 4.4157 4.4758 4.5470 4.5540 4.8206 4.8274 9.2203 9.5167 11.1685 11.3737 11.9408 12.0664 12.3933 12.4667 13.2430 13.3348 k = 0.1596-0.0863 0.0878 ( 3641 PWs) bands (ev): -14.8612 -14.8575 -13.7309 -13.7212 -13.1830 -13.1727 -12.4167 -12.4146 -12.0490 -12.0411 -11.9251 -11.9242 -3.7919 -3.7765 -2.8946 -2.8919 -1.7774 -1.7490 -1.1888 -1.1127 -0.5361 -0.5065 -0.0440 -0.0110 0.8659 0.8818 1.2096 1.2466 1.4306 1.5112 2.2126 2.3032 2.5020 2.5681 2.7106 2.7753 3.1131 3.1481 3.6431 3.6491 3.9688 3.9810 4.0632 4.0826 4.3920 4.4542 4.5410 4.5477 4.8040 4.8107 9.2360 9.5267 11.1856 11.3797 11.9122 12.0572 12.3807 12.4502 13.2489 13.3365 k = 0.1489-0.0805 0.0820 ( 3645 PWs) bands (ev): -14.8775 -14.8741 -13.7181 -13.7083 -13.2006 -13.1902 -12.4057 -12.4037 -12.0365 -12.0292 -11.9217 -11.9207 -3.7551 -3.7402 -2.9075 -2.9050 -1.7836 -1.7563 -1.1888 -1.1127 -0.5554 -0.5247 -0.0284 0.0026 0.8883 0.9020 1.2248 1.2579 1.4217 1.5025 2.1976 2.2918 2.5055 2.5785 2.6791 2.7619 3.1166 3.1523 3.6284 3.6345 3.9635 3.9783 4.0775 4.0957 4.3673 4.4301 4.5350 4.5415 4.7885 4.7952 9.2536 9.5368 11.2039 11.3859 11.8845 12.0484 12.3681 12.4343 13.2545 13.3377 k = 0.1383-0.0748 0.0761 ( 3644 PWs) bands (ev): -14.8928 -14.8896 -13.7047 -13.6947 -13.2189 -13.2083 -12.3956 -12.3936 -12.0248 -12.0180 -11.9179 -11.9168 -3.7195 -3.7052 -2.9198 -2.9176 -1.7894 -1.7633 -1.1876 -1.1120 -0.5759 -0.5438 -0.0119 0.0171 0.9103 0.9222 1.2398 1.2688 1.4116 1.4937 2.1804 2.2755 2.5049 2.5907 2.6531 2.7556 3.1212 3.1579 3.6154 3.6220 3.9542 3.9715 4.0930 4.1096 4.3428 4.4042 4.5289 4.5353 4.7741 4.7810 9.2728 9.5465 11.2230 11.3926 11.8582 12.0395 12.3555 12.4193 13.2599 13.3386 k = 0.1277-0.0690 0.0703 ( 3645 PWs) bands (ev): -14.9071 -14.9041 -13.6906 -13.6805 -13.2377 -13.2270 -12.3863 -12.3844 -12.0140 -12.0078 -11.9136 -11.9125 -3.6854 -3.6718 -2.9315 -2.9295 -1.7948 -1.7700 -1.1852 -1.1104 -0.5972 -0.5639 0.0053 0.0323 0.9320 0.9420 1.2538 1.2793 1.4009 1.4849 2.1618 2.2554 2.5001 2.5863 2.6492 2.7569 3.1266 3.1647 3.6042 3.6117 3.9406 3.9607 4.1087 4.1234 4.3195 4.3777 4.5228 4.5293 4.7610 4.7680 9.2934 9.5556 11.2427 11.3997 11.8335 12.0301 12.3432 12.4053 13.2650 13.3390 k = 0.1170-0.0633 0.0644 ( 3648 PWs) bands (ev): -14.9203 -14.9175 -13.6759 -13.6657 -13.2569 -13.2461 -12.3779 -12.3760 -12.0042 -11.9987 -11.9089 -11.9078 -3.6531 -3.6402 -2.9424 -2.9407 -1.7997 -1.7763 -1.1817 -1.1081 -0.6190 -0.5847 0.0230 0.0480 0.9531 0.9613 1.2660 1.2893 1.3905 1.4762 2.1424 2.2327 2.4916 2.5625 2.6689 2.7653 3.1333 3.1727 3.5947 3.6034 3.9224 3.9457 4.1239 4.1365 4.2985 4.3516 4.5169 4.5234 4.7490 4.7560 9.3150 9.5638 11.2628 11.4072 11.8106 12.0199 12.3314 12.3922 13.2699 13.3391 k = 0.1064-0.0575 0.0585 ( 3644 PWs) bands (ev): -14.9324 -14.9299 -13.6606 -13.6503 -13.2765 -13.2657 -12.3702 -12.3684 -11.9956 -11.9908 -11.9039 -11.9028 -3.6228 -3.6107 -2.9525 -2.9510 -1.8041 -1.7824 -1.1769 -1.1050 -0.6412 -0.6060 0.0409 0.0638 0.9735 0.9801 1.2752 1.2981 1.3821 1.4679 2.1230 2.2085 2.4802 2.5348 2.6957 2.7793 3.1416 3.1823 3.5870 3.5969 3.8993 3.9263 4.1381 4.1484 4.2808 4.3271 4.5113 4.5177 4.7382 4.7451 9.3374 9.5709 11.2830 11.4152 11.7900 12.0083 12.3206 12.3801 13.2747 13.3387 k = 0.0957-0.0518 0.0527 ( 3645 PWs) bands (ev): -14.9435 -14.9412 -13.6448 -13.6344 -13.2965 -13.2855 -12.3633 -12.3616 -11.9882 -11.9840 -11.8986 -11.8974 -3.5947 -3.5835 -2.9617 -2.9604 -1.8081 -1.7881 -1.1709 -1.1014 -0.6633 -0.6275 0.0586 0.0795 0.9931 0.9982 1.2811 1.3038 1.3776 1.4604 2.1037 2.1834 2.4674 2.5080 2.7240 2.7964 3.1522 3.1942 3.5806 3.5919 3.8712 3.9020 4.1510 4.1588 4.2669 4.3051 4.5061 4.5124 4.7284 4.7351 9.3602 9.5766 11.3028 11.4234 11.7721 11.9949 12.3110 12.3689 13.2793 13.3379 k = 0.0851-0.0460 0.0468 ( 3646 PWs) bands (ev): -14.9533 -14.9513 -13.6284 -13.6180 -13.3166 -13.3056 -12.3572 -12.3556 -11.9820 -11.9784 -11.8932 -11.8920 -3.5689 -3.5587 -2.9699 -2.9688 -1.8115 -1.7934 -1.1638 -1.0973 -0.6848 -0.6490 0.0759 0.0947 1.0115 1.0154 1.2839 1.3042 1.3792 1.4540 2.0851 2.1582 2.4543 2.4836 2.7517 2.8144 3.1660 3.2090 3.5753 3.5881 3.8386 3.8728 4.1624 4.1677 4.2570 4.2864 4.5015 4.5076 4.7196 4.7259 9.3832 9.5806 11.3220 11.4316 11.7573 11.9796 12.3031 12.3585 13.2837 13.3367 k = 0.0745-0.0403 0.0410 ( 3644 PWs) bands (ev): -14.9621 -14.9603 -13.6115 -13.6010 -13.3369 -13.3259 -12.3517 -12.3504 -11.9767 -11.9737 -11.8878 -11.8867 -3.5458 -3.5366 -2.9771 -2.9762 -1.8145 -1.7984 -1.1556 -1.0930 -0.7054 -0.6701 0.0924 0.1091 1.0285 1.0318 1.2840 1.2997 1.3861 1.4490 2.0675 2.1335 2.4417 2.4621 2.7774 2.8316 3.1838 3.2276 3.5705 3.5853 3.8025 3.8390 4.1717 4.1754 4.2506 4.2713 4.4975 4.5035 4.7117 4.7176 9.4061 9.5828 11.3402 11.4394 11.7464 11.9622 12.2971 12.3489 13.2880 13.3351 k = 0.0638-0.0345 0.0351 ( 3643 PWs) bands (ev): -14.9697 -14.9681 -13.5942 -13.5836 -13.3573 -13.3462 -12.3471 -12.3458 -11.9725 -11.9700 -11.8827 -11.8817 -3.5253 -3.5172 -2.9833 -2.9825 -1.8170 -1.8029 -1.1465 -1.0888 -0.7245 -0.6906 0.1078 0.1224 1.0436 1.0470 1.2818 1.2927 1.3957 1.4456 2.0512 2.1098 2.4302 2.4440 2.8004 2.8464 3.2061 3.2507 3.5656 3.5829 3.7641 3.8011 4.1780 4.1830 4.2467 4.2597 4.4944 4.4999 4.7049 4.7102 9.4285 9.5831 11.3573 11.4460 11.7400 11.9428 12.2929 12.3399 13.2923 13.3332 k = 0.0532-0.0288 0.0293 ( 3641 PWs) bands (ev): -14.9761 -14.9748 -13.5765 -13.5658 -13.3776 -13.3666 -12.3431 -12.3420 -11.9690 -11.9671 -11.8781 -11.8772 -3.5077 -3.5008 -2.9885 -2.9878 -1.8189 -1.8070 -1.1367 -1.0851 -0.7415 -0.7100 0.1218 0.1341 1.0568 1.0606 1.2780 1.2850 1.4061 1.4435 2.0370 2.0874 2.4200 2.4293 2.8200 2.8580 3.2331 3.2783 3.5593 3.5805 3.7253 3.7604 4.1827 4.1896 4.2442 4.2515 4.4920 4.4971 4.6989 4.7036 9.4502 9.5812 11.3732 11.4507 11.7387 11.9215 12.2905 12.3317 13.2964 13.3309 k = 0.0426-0.0230 0.0234 ( 3641 PWs) bands (ev): -14.9813 -14.9803 -13.5583 -13.5477 -13.3979 -13.3869 -12.3398 -12.3390 -11.9663 -11.9648 -11.8740 -11.8733 -3.4931 -3.4874 -2.9927 -2.9921 -1.8202 -1.8106 -1.1265 -1.0825 -0.7557 -0.7279 0.1340 0.1440 1.0682 1.0721 1.2732 1.2780 1.4159 1.4425 2.0252 2.0670 2.4115 2.4179 2.8361 2.8663 3.2643 3.3103 3.5501 3.5772 3.6888 3.7186 4.1864 4.1947 4.2419 4.2466 4.4905 4.4948 4.6941 4.6979 9.4710 9.5772 11.3879 11.4529 11.7427 11.8989 12.2898 12.3240 13.3004 13.3283 k = 0.0319-0.0173 0.0176 ( 3642 PWs) bands (ev): -14.9854 -14.9846 -13.5400 -13.5294 -13.4178 -13.4070 -12.3373 -12.3366 -11.9643 -11.9632 -11.8707 -11.8701 -3.4814 -3.4771 -2.9958 -2.9953 -1.8210 -1.8137 -1.1163 -1.0813 -0.7665 -0.7437 0.1441 0.1517 1.0775 1.0811 1.2686 1.2721 1.4244 1.4422 2.0167 2.0490 2.4048 2.4094 2.8489 2.8714 3.2991 3.3455 3.5353 3.5708 3.6584 3.6788 4.1898 4.1981 4.2395 4.2442 4.4897 4.4931 4.6903 4.6932 9.4905 9.5711 11.4015 11.4523 11.7520 11.8752 12.2906 12.3170 13.3044 13.3254 k = 0.0213-0.0115 0.0117 ( 3642 PWs) bands (ev): -14.9882 -14.9877 -13.5215 -13.5112 -13.4372 -13.4267 -12.3354 -12.3350 -11.9628 -11.9621 -11.8683 -11.8678 -3.4729 -3.4700 -2.9980 -2.9977 -1.8212 -1.8163 -1.1066 -1.0822 -0.7732 -0.7570 0.1520 0.1571 1.0846 1.0874 1.2649 1.2674 1.4312 1.4420 2.0119 2.0339 2.4003 2.4034 2.8587 2.8736 3.3360 3.3811 3.5144 3.5572 3.6374 3.6468 4.1930 4.1996 4.2383 4.2425 4.4894 4.4918 4.6876 4.6897 9.5085 9.5627 11.4138 11.4488 11.7660 11.8511 12.2926 12.3106 13.3082 13.3223 k = 0.0106-0.0058 0.0059 ( 3642 PWs) bands (ev): -14.9899 -14.9896 -13.5036 -13.4947 -13.4544 -13.4454 -12.3343 -12.3340 -11.9619 -11.9615 -11.8667 -11.8665 -3.4675 -3.4660 -2.9993 -2.9991 -1.8209 -1.8184 -1.0978 -1.0852 -0.7755 -0.7671 0.1573 0.1599 1.0893 1.0909 1.2628 1.2642 1.4361 1.4412 2.0111 2.0223 2.3979 2.3995 2.8659 2.8733 3.3727 3.4078 3.4961 3.5324 3.6262 3.6288 4.1958 4.1995 4.2384 4.2409 4.4896 4.4908 4.6863 4.6873 9.5249 9.5521 11.4250 11.4428 11.7839 11.8274 12.2958 12.3049 13.3119 13.3190 k = 0.0000 0.0000 0.0000 ( 3643 PWs) bands (ev): -14.9903 -14.9903 -13.4899 -13.4899 -13.4594 -13.4594 -12.3338 -12.3338 -11.9615 -11.9615 -11.8661 -11.8661 -3.4652 -3.4652 -2.9996 -2.9996 -1.8199 -1.8199 -1.0905 -1.0905 -0.7734 -0.7734 0.1600 0.1600 1.0915 1.0915 1.2626 1.2626 1.4394 1.4394 2.0146 2.0146 2.3977 2.3977 2.8707 2.8707 3.4031 3.4031 3.5043 3.5043 3.6232 3.6232 4.1981 4.1981 4.2394 4.2394 4.4900 4.4900 4.6861 4.6861 9.5395 9.5395 11.4347 11.4347 11.8047 11.8047 12.3000 12.3000 13.3156 13.3156 Writing output data file BixBO2x3.save init_run : 2.66s CPU 11.62s WALL ( 1 calls) electrons : 868.60s CPU 876.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.54s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 868.57s CPU 876.72s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.84s WALL ( 1 calls) v_h : 0.01s CPU 0.04s WALL ( 1 calls) v_xc : 0.14s CPU 0.56s WALL ( 1 calls) newd : 0.08s CPU 0.37s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 356 calls) cegterg : 825.47s CPU 830.63s WALL ( 726 calls) Called by sum_band: Called by *egterg: h_psi : 338.17s CPU 346.13s WALL ( 13307 calls) s_psi : 23.99s CPU 24.45s WALL ( 13307 calls) g_psi : 0.85s CPU 0.86s WALL ( 12225 calls) cdiaghg : 345.97s CPU 343.50s WALL ( 12581 calls) cegterg:over : 73.99s CPU 71.43s WALL ( 12225 calls) cegterg:upda : 16.14s CPU 19.47s WALL ( 12225 calls) cegterg:last : 13.98s CPU 14.78s WALL ( 2150 calls) Called by h_psi: h_psi:vloc : 272.22s CPU 278.62s WALL ( 13307 calls) h_psi:vnl : 65.68s CPU 66.66s WALL ( 13307 calls) add_vuspsi : 20.55s CPU 24.10s WALL ( 13307 calls) General routines calbec : 45.08s CPU 42.46s WALL ( 13307 calls) fft : 0.34s CPU 1.94s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 262.52s CPU 262.60s WALL ( 1597756 calls) interpolate : 0.15s CPU 0.15s WALL ( 4 calls) davcio : 0.04s CPU 1.48s WALL ( 712 calls) Parallel routines fft_scatter : 176.16s CPU 168.04s WALL ( 1597779 calls) PWSCF : 15m28.03s CPU 16m51.12s WALL This run was terminated on: 23:54:43 22Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=