Program PWSCF v.5.1.1 starts on 18Nov2015 at 15:41:28 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 28 16 5 1237 536 90 Max 29 17 6 1242 555 97 Sum 1357 787 245 59483 26209 4553 bravais-lattice index = 14 lattice parameter (alat) = 7.4342 a.u. unit-cell volume = 601.4100 (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)= 7.434182 celldm(2)= 1.068085 celldm(3)= 1.584164 celldm(4)= -0.229598 celldm(5)= 0.065020 celldm(6)= -0.456387 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.487460 0.950362 0.000000 ) a(3) = ( 0.103002 -0.355944 1.540217 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.512920 0.051661 ) b(2) = ( 0.000000 1.052231 0.243170 ) b(3) = ( 0.000000 0.000000 0.649259 ) 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= 342 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.5261153 -0.1215852), wk = 0.0029240 k( 2) = ( 0.0000000 -0.5141581 -0.1188219), wk = 0.0029240 k( 3) = ( 0.0000000 -0.5022009 -0.1160586), wk = 0.0029240 k( 4) = ( 0.0000000 -0.4902438 -0.1132953), wk = 0.0029240 k( 5) = ( 0.0000000 -0.4782866 -0.1105320), wk = 0.0029240 k( 6) = ( 0.0000000 -0.4663294 -0.1077687), wk = 0.0029240 k( 7) = ( 0.0000000 -0.4543723 -0.1050054), wk = 0.0029240 k( 8) = ( 0.0000000 -0.4424151 -0.1022421), wk = 0.0029240 k( 9) = ( 0.0000000 -0.4304579 -0.0994788), wk = 0.0029240 k( 10) = ( 0.0000000 -0.4185008 -0.0967155), wk = 0.0029240 k( 11) = ( 0.0000000 -0.4065436 -0.0939522), wk = 0.0029240 k( 12) = ( 0.0000000 -0.3945864 -0.0911889), wk = 0.0029240 k( 13) = ( 0.0000000 -0.3826293 -0.0884256), wk = 0.0029240 k( 14) = ( 0.0000000 -0.3706721 -0.0856623), wk = 0.0029240 k( 15) = ( 0.0000000 -0.3587149 -0.0828990), wk = 0.0029240 k( 16) = ( 0.0000000 -0.3467578 -0.0801357), wk = 0.0029240 k( 17) = ( 0.0000000 -0.3348006 -0.0773724), wk = 0.0029240 k( 18) = ( 0.0000000 -0.3228434 -0.0746091), wk = 0.0029240 k( 19) = ( 0.0000000 -0.3108863 -0.0718458), wk = 0.0029240 k( 20) = ( 0.0000000 -0.2989291 -0.0690825), wk = 0.0029240 k( 21) = ( 0.0000000 -0.2869720 -0.0663192), wk = 0.0029240 k( 22) = ( 0.0000000 -0.2750148 -0.0635559), wk = 0.0029240 k( 23) = ( 0.0000000 -0.2630576 -0.0607926), wk = 0.0029240 k( 24) = ( 0.0000000 -0.2511005 -0.0580293), wk = 0.0029240 k( 25) = ( 0.0000000 -0.2391433 -0.0552660), wk = 0.0029240 k( 26) = ( 0.0000000 -0.2271861 -0.0525027), wk = 0.0029240 k( 27) = ( 0.0000000 -0.2152290 -0.0497394), wk = 0.0029240 k( 28) = ( 0.0000000 -0.2032718 -0.0469761), wk = 0.0029240 k( 29) = ( 0.0000000 -0.1913146 -0.0442128), wk = 0.0029240 k( 30) = ( 0.0000000 -0.1793575 -0.0414495), wk = 0.0029240 k( 31) = ( 0.0000000 -0.1674003 -0.0386862), wk = 0.0029240 k( 32) = ( 0.0000000 -0.1554431 -0.0359229), wk = 0.0029240 k( 33) = ( 0.0000000 -0.1434860 -0.0331596), wk = 0.0029240 k( 34) = ( 0.0000000 -0.1315288 -0.0303963), wk = 0.0029240 k( 35) = ( 0.0000000 -0.1195716 -0.0276330), wk = 0.0029240 k( 36) = ( 0.0000000 -0.1076145 -0.0248697), wk = 0.0029240 k( 37) = ( 0.0000000 -0.0956573 -0.0221064), wk = 0.0029240 k( 38) = ( 0.0000000 -0.0837001 -0.0193431), wk = 0.0029240 k( 39) = ( 0.0000000 -0.0717430 -0.0165798), wk = 0.0029240 k( 40) = ( 0.0000000 -0.0597858 -0.0138165), wk = 0.0029240 k( 41) = ( 0.0000000 -0.0478287 -0.0110532), wk = 0.0029240 k( 42) = ( 0.0000000 -0.0358715 -0.0082899), wk = 0.0029240 k( 43) = ( 0.0000000 -0.0239143 -0.0055266), wk = 0.0029240 k( 44) = ( 0.0000000 -0.0119572 -0.0027633), wk = 0.0029240 k( 45) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 46) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 47) = ( 0.0111111 0.0056991 0.0005740), wk = 0.0029240 k( 48) = ( 0.0222222 0.0113982 0.0011480), wk = 0.0029240 k( 49) = ( 0.0333333 0.0170973 0.0017220), wk = 0.0029240 k( 50) = ( 0.0444444 0.0227964 0.0022960), wk = 0.0029240 k( 51) = ( 0.0555556 0.0284955 0.0028700), wk = 0.0029240 k( 52) = ( 0.0666667 0.0341947 0.0034440), wk = 0.0029240 k( 53) = ( 0.0777778 0.0398938 0.0040180), wk = 0.0029240 k( 54) = ( 0.0888889 0.0455929 0.0045921), wk = 0.0029240 k( 55) = ( 0.1000000 0.0512920 0.0051661), wk = 0.0029240 k( 56) = ( 0.1111111 0.0569911 0.0057401), wk = 0.0029240 k( 57) = ( 0.1222222 0.0626902 0.0063141), wk = 0.0029240 k( 58) = ( 0.1333333 0.0683893 0.0068881), wk = 0.0029240 k( 59) = ( 0.1444444 0.0740884 0.0074621), wk = 0.0029240 k( 60) = ( 0.1555556 0.0797875 0.0080361), wk = 0.0029240 k( 61) = ( 0.1666667 0.0854866 0.0086101), wk = 0.0029240 k( 62) = ( 0.1777778 0.0911857 0.0091841), wk = 0.0029240 k( 63) = ( 0.1888889 0.0968849 0.0097581), wk = 0.0029240 k( 64) = ( 0.2000000 0.1025840 0.0103321), wk = 0.0029240 k( 65) = ( 0.2111111 0.1082831 0.0109061), wk = 0.0029240 k( 66) = ( 0.2222222 0.1139822 0.0114801), wk = 0.0029240 k( 67) = ( 0.2333333 0.1196813 0.0120541), wk = 0.0029240 k( 68) = ( 0.2444444 0.1253804 0.0126281), wk = 0.0029240 k( 69) = ( 0.2555556 0.1310795 0.0132021), wk = 0.0029240 k( 70) = ( 0.2666667 0.1367786 0.0137762), wk = 0.0029240 k( 71) = ( 0.2777778 0.1424777 0.0143502), wk = 0.0029240 k( 72) = ( 0.2888889 0.1481768 0.0149242), wk = 0.0029240 k( 73) = ( 0.3000000 0.1538759 0.0154982), wk = 0.0029240 k( 74) = ( 0.3111111 0.1595750 0.0160722), wk = 0.0029240 k( 75) = ( 0.3222222 0.1652742 0.0166462), wk = 0.0029240 k( 76) = ( 0.3333333 0.1709733 0.0172202), wk = 0.0029240 k( 77) = ( 0.3444444 0.1766724 0.0177942), wk = 0.0029240 k( 78) = ( 0.3555556 0.1823715 0.0183682), wk = 0.0029240 k( 79) = ( 0.3666667 0.1880706 0.0189422), wk = 0.0029240 k( 80) = ( 0.3777778 0.1937697 0.0195162), wk = 0.0029240 k( 81) = ( 0.3888889 0.1994688 0.0200902), wk = 0.0029240 k( 82) = ( 0.4000000 0.2051679 0.0206642), wk = 0.0029240 k( 83) = ( 0.4111111 0.2108670 0.0212382), wk = 0.0029240 k( 84) = ( 0.4222222 0.2165661 0.0218122), wk = 0.0029240 k( 85) = ( 0.4333333 0.2222652 0.0223862), wk = 0.0029240 k( 86) = ( 0.4444444 0.2279644 0.0229602), wk = 0.0029240 k( 87) = ( 0.4555556 0.2336635 0.0235343), wk = 0.0029240 k( 88) = ( 0.4666667 0.2393626 0.0241083), wk = 0.0029240 k( 89) = ( 0.4777778 0.2450617 0.0246823), wk = 0.0029240 k( 90) = ( 0.4888889 0.2507608 0.0252563), wk = 0.0029240 k( 91) = ( 0.5000000 0.2564599 0.0258303), wk = 0.0029240 k( 92) = ( 0.5000000 -0.2696554 -0.0957549), wk = 0.0029240 k( 93) = ( 0.4893617 -0.2639180 -0.0937176), wk = 0.0029240 k( 94) = ( 0.4787234 -0.2581807 -0.0916802), wk = 0.0029240 k( 95) = ( 0.4680851 -0.2524433 -0.0896429), wk = 0.0029240 k( 96) = ( 0.4574468 -0.2467060 -0.0876056), wk = 0.0029240 k( 97) = ( 0.4468085 -0.2409686 -0.0855682), wk = 0.0029240 k( 98) = ( 0.4361702 -0.2352313 -0.0835309), wk = 0.0029240 k( 99) = ( 0.4255319 -0.2294939 -0.0814935), wk = 0.0029240 k( 100) = ( 0.4148936 -0.2237566 -0.0794562), wk = 0.0029240 k( 101) = ( 0.4042553 -0.2180192 -0.0774189), wk = 0.0029240 k( 102) = ( 0.3936170 -0.2122819 -0.0753815), wk = 0.0029240 k( 103) = ( 0.3829787 -0.2065445 -0.0733442), wk = 0.0029240 k( 104) = ( 0.3723404 -0.2008072 -0.0713069), wk = 0.0029240 k( 105) = ( 0.3617021 -0.1950698 -0.0692695), wk = 0.0029240 k( 106) = ( 0.3510638 -0.1893325 -0.0672322), wk = 0.0029240 k( 107) = ( 0.3404255 -0.1835951 -0.0651948), wk = 0.0029240 k( 108) = ( 0.3297872 -0.1778578 -0.0631575), wk = 0.0029240 k( 109) = ( 0.3191489 -0.1721204 -0.0611202), wk = 0.0029240 k( 110) = ( 0.3085106 -0.1663831 -0.0590828), wk = 0.0029240 k( 111) = ( 0.2978723 -0.1606457 -0.0570455), wk = 0.0029240 k( 112) = ( 0.2872340 -0.1549084 -0.0550081), wk = 0.0029240 k( 113) = ( 0.2765957 -0.1491710 -0.0529708), wk = 0.0029240 k( 114) = ( 0.2659574 -0.1434337 -0.0509335), wk = 0.0029240 k( 115) = ( 0.2553191 -0.1376964 -0.0488961), wk = 0.0029240 k( 116) = ( 0.2446809 -0.1319590 -0.0468588), wk = 0.0029240 k( 117) = ( 0.2340425 -0.1262217 -0.0448215), wk = 0.0029240 k( 118) = ( 0.2234043 -0.1204843 -0.0427841), wk = 0.0029240 k( 119) = ( 0.2127660 -0.1147470 -0.0407468), wk = 0.0029240 k( 120) = ( 0.2021277 -0.1090096 -0.0387094), wk = 0.0029240 k( 121) = ( 0.1914894 -0.1032723 -0.0366721), wk = 0.0029240 k( 122) = ( 0.1808511 -0.0975349 -0.0346348), wk = 0.0029240 k( 123) = ( 0.1702128 -0.0917976 -0.0325974), wk = 0.0029240 k( 124) = ( 0.1595745 -0.0860602 -0.0305601), wk = 0.0029240 k( 125) = ( 0.1489362 -0.0803229 -0.0285227), wk = 0.0029240 k( 126) = ( 0.1382979 -0.0745855 -0.0264854), wk = 0.0029240 k( 127) = ( 0.1276596 -0.0688482 -0.0244481), wk = 0.0029240 k( 128) = ( 0.1170213 -0.0631108 -0.0224107), wk = 0.0029240 k( 129) = ( 0.1063830 -0.0573735 -0.0203734), wk = 0.0029240 k( 130) = ( 0.0957447 -0.0516361 -0.0183360), wk = 0.0029240 k( 131) = ( 0.0851064 -0.0458988 -0.0162987), wk = 0.0029240 k( 132) = ( 0.0744681 -0.0401614 -0.0142614), wk = 0.0029240 k( 133) = ( 0.0638298 -0.0344241 -0.0122240), wk = 0.0029240 k( 134) = ( 0.0531915 -0.0286867 -0.0101867), wk = 0.0029240 k( 135) = ( 0.0425532 -0.0229494 -0.0081494), wk = 0.0029240 k( 136) = ( 0.0319149 -0.0172120 -0.0061120), wk = 0.0029240 k( 137) = ( 0.0212766 -0.0114747 -0.0040747), wk = 0.0029240 k( 138) = ( 0.0106383 -0.0057373 -0.0020373), wk = 0.0029240 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 141) = ( -0.0098039 -0.0050286 0.0058588), wk = 0.0029240 k( 142) = ( -0.0196078 -0.0100572 0.0117176), wk = 0.0029240 k( 143) = ( -0.0294118 -0.0150859 0.0175764), wk = 0.0029240 k( 144) = ( -0.0392157 -0.0201145 0.0234352), wk = 0.0029240 k( 145) = ( -0.0490196 -0.0251431 0.0292940), wk = 0.0029240 k( 146) = ( -0.0588235 -0.0301718 0.0351529), wk = 0.0029240 k( 147) = ( -0.0686275 -0.0352004 0.0410117), wk = 0.0029240 k( 148) = ( -0.0784314 -0.0402290 0.0468705), wk = 0.0029240 k( 149) = ( -0.0882353 -0.0452576 0.0527293), wk = 0.0029240 k( 150) = ( -0.0980392 -0.0502863 0.0585881), wk = 0.0029240 k( 151) = ( -0.1078431 -0.0553149 0.0644469), wk = 0.0029240 k( 152) = ( -0.1176471 -0.0603435 0.0703057), wk = 0.0029240 k( 153) = ( -0.1274510 -0.0653721 0.0761645), wk = 0.0029240 k( 154) = ( -0.1372549 -0.0704008 0.0820233), wk = 0.0029240 k( 155) = ( -0.1470588 -0.0754294 0.0878821), wk = 0.0029240 k( 156) = ( -0.1568627 -0.0804580 0.0937409), wk = 0.0029240 k( 157) = ( -0.1666667 -0.0854866 0.0995998), wk = 0.0029240 k( 158) = ( -0.1764706 -0.0905153 0.1054586), wk = 0.0029240 k( 159) = ( -0.1862745 -0.0955439 0.1113174), wk = 0.0029240 k( 160) = ( -0.1960784 -0.1005725 0.1171762), wk = 0.0029240 k( 161) = ( -0.2058823 -0.1056011 0.1230350), wk = 0.0029240 k( 162) = ( -0.2156863 -0.1106298 0.1288938), wk = 0.0029240 k( 163) = ( -0.2254902 -0.1156584 0.1347526), wk = 0.0029240 k( 164) = ( -0.2352941 -0.1206870 0.1406114), wk = 0.0029240 k( 165) = ( -0.2450980 -0.1257156 0.1464702), wk = 0.0029240 k( 166) = ( -0.2549020 -0.1307443 0.1523290), wk = 0.0029240 k( 167) = ( -0.2647059 -0.1357729 0.1581878), wk = 0.0029240 k( 168) = ( -0.2745098 -0.1408015 0.1640467), wk = 0.0029240 k( 169) = ( -0.2843137 -0.1458301 0.1699055), wk = 0.0029240 k( 170) = ( -0.2941177 -0.1508588 0.1757643), wk = 0.0029240 k( 171) = ( -0.3039216 -0.1558874 0.1816231), wk = 0.0029240 k( 172) = ( -0.3137255 -0.1609160 0.1874819), wk = 0.0029240 k( 173) = ( -0.3235294 -0.1659446 0.1933407), wk = 0.0029240 k( 174) = ( -0.3333333 -0.1709733 0.1991995), wk = 0.0029240 k( 175) = ( -0.3431373 -0.1760019 0.2050583), wk = 0.0029240 k( 176) = ( -0.3529412 -0.1810305 0.2109171), wk = 0.0029240 k( 177) = ( -0.3627451 -0.1860591 0.2167759), wk = 0.0029240 k( 178) = ( -0.3725490 -0.1910878 0.2226347), wk = 0.0029240 k( 179) = ( -0.3823529 -0.1961164 0.2284936), wk = 0.0029240 k( 180) = ( -0.3921569 -0.2011450 0.2343524), wk = 0.0029240 k( 181) = ( -0.4019608 -0.2061736 0.2402112), wk = 0.0029240 k( 182) = ( -0.4117647 -0.2112023 0.2460700), wk = 0.0029240 k( 183) = ( -0.4215686 -0.2162309 0.2519288), wk = 0.0029240 k( 184) = ( -0.4313726 -0.2212595 0.2577876), wk = 0.0029240 k( 185) = ( -0.4411765 -0.2262881 0.2636464), wk = 0.0029240 k( 186) = ( -0.4509804 -0.2313168 0.2695052), wk = 0.0029240 k( 187) = ( -0.4607843 -0.2363454 0.2753640), wk = 0.0029240 k( 188) = ( -0.4705882 -0.2413740 0.2812228), wk = 0.0029240 k( 189) = ( -0.4803922 -0.2464027 0.2870816), wk = 0.0029240 k( 190) = ( -0.4901961 -0.2514313 0.2929405), wk = 0.0029240 k( 191) = ( -0.5000000 -0.2564599 0.2987993), wk = 0.0029240 k( 192) = ( -0.5000000 -0.7825752 0.1772141), wk = 0.0029240 k( 193) = ( -0.4934211 -0.7722781 0.1748823), wk = 0.0029240 k( 194) = ( -0.4868421 -0.7619811 0.1725505), wk = 0.0029240 k( 195) = ( -0.4802632 -0.7516840 0.1702188), wk = 0.0029240 k( 196) = ( -0.4736842 -0.7413870 0.1678870), wk = 0.0029240 k( 197) = ( -0.4671053 -0.7310899 0.1655552), wk = 0.0029240 k( 198) = ( -0.4605263 -0.7207929 0.1632235), wk = 0.0029240 k( 199) = ( -0.4539474 -0.7104959 0.1608917), wk = 0.0029240 k( 200) = ( -0.4473684 -0.7001988 0.1585600), wk = 0.0029240 k( 201) = ( -0.4407895 -0.6899018 0.1562282), wk = 0.0029240 k( 202) = ( -0.4342105 -0.6796047 0.1538964), wk = 0.0029240 k( 203) = ( -0.4276316 -0.6693077 0.1515647), wk = 0.0029240 k( 204) = ( -0.4210526 -0.6590107 0.1492329), wk = 0.0029240 k( 205) = ( -0.4144737 -0.6487136 0.1469011), wk = 0.0029240 k( 206) = ( -0.4078947 -0.6384166 0.1445694), wk = 0.0029240 k( 207) = ( -0.4013158 -0.6281195 0.1422376), wk = 0.0029240 k( 208) = ( -0.3947368 -0.6178225 0.1399058), wk = 0.0029240 k( 209) = ( -0.3881579 -0.6075254 0.1375741), wk = 0.0029240 k( 210) = ( -0.3815789 -0.5972284 0.1352423), wk = 0.0029240 k( 211) = ( -0.3750000 -0.5869314 0.1329105), wk = 0.0029240 k( 212) = ( -0.3684211 -0.5766343 0.1305788), wk = 0.0029240 k( 213) = ( -0.3618421 -0.5663373 0.1282470), wk = 0.0029240 k( 214) = ( -0.3552632 -0.5560402 0.1259153), wk = 0.0029240 k( 215) = ( -0.3486842 -0.5457432 0.1235835), wk = 0.0029240 k( 216) = ( -0.3421053 -0.5354462 0.1212517), wk = 0.0029240 k( 217) = ( -0.3355263 -0.5251491 0.1189200), wk = 0.0029240 k( 218) = ( -0.3289474 -0.5148521 0.1165882), wk = 0.0029240 k( 219) = ( -0.3223684 -0.5045550 0.1142564), wk = 0.0029240 k( 220) = ( -0.3157895 -0.4942580 0.1119247), wk = 0.0029240 k( 221) = ( -0.3092105 -0.4839610 0.1095929), wk = 0.0029240 k( 222) = ( -0.3026316 -0.4736639 0.1072611), wk = 0.0029240 k( 223) = ( -0.2960526 -0.4633669 0.1049294), wk = 0.0029240 k( 224) = ( -0.2894737 -0.4530698 0.1025976), wk = 0.0029240 k( 225) = ( -0.2828947 -0.4427728 0.1002659), wk = 0.0029240 k( 226) = ( -0.2763158 -0.4324757 0.0979341), wk = 0.0029240 k( 227) = ( -0.2697368 -0.4221787 0.0956023), wk = 0.0029240 k( 228) = ( -0.2631579 -0.4118817 0.0932706), wk = 0.0029240 k( 229) = ( -0.2565789 -0.4015846 0.0909388), wk = 0.0029240 k( 230) = ( -0.2500000 -0.3912876 0.0886070), wk = 0.0029240 k( 231) = ( -0.2434210 -0.3809905 0.0862753), wk = 0.0029240 k( 232) = ( -0.2368421 -0.3706935 0.0839435), wk = 0.0029240 k( 233) = ( -0.2302632 -0.3603965 0.0816117), wk = 0.0029240 k( 234) = ( -0.2236842 -0.3500994 0.0792800), wk = 0.0029240 k( 235) = ( -0.2171053 -0.3398024 0.0769482), wk = 0.0029240 k( 236) = ( -0.2105263 -0.3295053 0.0746164), wk = 0.0029240 k( 237) = ( -0.2039474 -0.3192083 0.0722847), wk = 0.0029240 k( 238) = ( -0.1973684 -0.3089112 0.0699529), wk = 0.0029240 k( 239) = ( -0.1907895 -0.2986142 0.0676212), wk = 0.0029240 k( 240) = ( -0.1842105 -0.2883172 0.0652894), wk = 0.0029240 k( 241) = ( -0.1776316 -0.2780201 0.0629576), wk = 0.0029240 k( 242) = ( -0.1710526 -0.2677231 0.0606259), wk = 0.0029240 k( 243) = ( -0.1644737 -0.2574260 0.0582941), wk = 0.0029240 k( 244) = ( -0.1578947 -0.2471290 0.0559623), wk = 0.0029240 k( 245) = ( -0.1513158 -0.2368320 0.0536306), wk = 0.0029240 k( 246) = ( -0.1447368 -0.2265349 0.0512988), wk = 0.0029240 k( 247) = ( -0.1381579 -0.2162379 0.0489670), wk = 0.0029240 k( 248) = ( -0.1315790 -0.2059408 0.0466353), wk = 0.0029240 k( 249) = ( -0.1250000 -0.1956438 0.0443035), wk = 0.0029240 k( 250) = ( -0.1184210 -0.1853467 0.0419718), wk = 0.0029240 k( 251) = ( -0.1118421 -0.1750497 0.0396400), wk = 0.0029240 k( 252) = ( -0.1052632 -0.1647527 0.0373082), wk = 0.0029240 k( 253) = ( -0.0986842 -0.1544556 0.0349765), wk = 0.0029240 k( 254) = ( -0.0921053 -0.1441586 0.0326447), wk = 0.0029240 k( 255) = ( -0.0855263 -0.1338615 0.0303129), wk = 0.0029240 k( 256) = ( -0.0789474 -0.1235645 0.0279812), wk = 0.0029240 k( 257) = ( -0.0723684 -0.1132675 0.0256494), wk = 0.0029240 k( 258) = ( -0.0657895 -0.1029704 0.0233176), wk = 0.0029240 k( 259) = ( -0.0592105 -0.0926734 0.0209859), wk = 0.0029240 k( 260) = ( -0.0526316 -0.0823763 0.0186541), wk = 0.0029240 k( 261) = ( -0.0460526 -0.0720793 0.0163223), wk = 0.0029240 k( 262) = ( -0.0394737 -0.0617822 0.0139906), wk = 0.0029240 k( 263) = ( -0.0328947 -0.0514852 0.0116588), wk = 0.0029240 k( 264) = ( -0.0263158 -0.0411882 0.0093271), wk = 0.0029240 k( 265) = ( -0.0197368 -0.0308911 0.0069953), wk = 0.0029240 k( 266) = ( -0.0131579 -0.0205941 0.0046635), wk = 0.0029240 k( 267) = ( -0.0065790 -0.0102970 0.0023318), wk = 0.0029240 k( 268) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 269) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 270) = ( 0.0000000 0.0000000 0.0124858), wk = 0.0029240 k( 271) = ( 0.0000000 0.0000000 0.0249715), wk = 0.0029240 k( 272) = ( 0.0000000 0.0000000 0.0374573), wk = 0.0029240 k( 273) = ( 0.0000000 0.0000000 0.0499430), wk = 0.0029240 k( 274) = ( 0.0000000 0.0000000 0.0624288), wk = 0.0029240 k( 275) = ( 0.0000000 0.0000000 0.0749145), wk = 0.0029240 k( 276) = ( 0.0000000 0.0000000 0.0874003), wk = 0.0029240 k( 277) = ( 0.0000000 0.0000000 0.0998860), wk = 0.0029240 k( 278) = ( 0.0000000 0.0000000 0.1123718), wk = 0.0029240 k( 279) = ( 0.0000000 0.0000000 0.1248575), wk = 0.0029240 k( 280) = ( 0.0000000 0.0000000 0.1373433), wk = 0.0029240 k( 281) = ( 0.0000000 0.0000000 0.1498290), wk = 0.0029240 k( 282) = ( 0.0000000 0.0000000 0.1623148), wk = 0.0029240 k( 283) = ( 0.0000000 0.0000000 0.1748005), wk = 0.0029240 k( 284) = ( 0.0000000 0.0000000 0.1872863), wk = 0.0029240 k( 285) = ( 0.0000000 0.0000000 0.1997720), wk = 0.0029240 k( 286) = ( 0.0000000 0.0000000 0.2122578), wk = 0.0029240 k( 287) = ( 0.0000000 0.0000000 0.2247435), wk = 0.0029240 k( 288) = ( 0.0000000 0.0000000 0.2372293), wk = 0.0029240 k( 289) = ( 0.0000000 0.0000000 0.2497150), wk = 0.0029240 k( 290) = ( 0.0000000 0.0000000 0.2622008), wk = 0.0029240 k( 291) = ( 0.0000000 0.0000000 0.2746865), wk = 0.0029240 k( 292) = ( 0.0000000 0.0000000 0.2871723), wk = 0.0029240 k( 293) = ( 0.0000000 0.0000000 0.2996580), wk = 0.0029240 k( 294) = ( 0.0000000 0.0000000 0.3121438), wk = 0.0029240 k( 295) = ( 0.0000000 0.0000000 0.3246295), wk = 0.0029240 k( 296) = ( 0.0000000 -0.5261153 0.2030443), wk = 0.0029240 k( 297) = ( 0.0000000 -0.5146780 0.1986303), wk = 0.0029240 k( 298) = ( 0.0000000 -0.5032407 0.1942163), wk = 0.0029240 k( 299) = ( 0.0000000 -0.4918034 0.1898023), wk = 0.0029240 k( 300) = ( 0.0000000 -0.4803661 0.1853883), wk = 0.0029240 k( 301) = ( 0.0000000 -0.4689288 0.1809743), wk = 0.0029240 k( 302) = ( 0.0000000 -0.4574915 0.1765603), wk = 0.0029240 k( 303) = ( 0.0000000 -0.4460542 0.1721463), wk = 0.0029240 k( 304) = ( 0.0000000 -0.4346170 0.1677323), wk = 0.0029240 k( 305) = ( 0.0000000 -0.4231797 0.1633183), wk = 0.0029240 k( 306) = ( 0.0000000 -0.4117424 0.1589043), wk = 0.0029240 k( 307) = ( 0.0000000 -0.4003051 0.1544903), wk = 0.0029240 k( 308) = ( 0.0000000 -0.3888678 0.1500763), wk = 0.0029240 k( 309) = ( 0.0000000 -0.3774305 0.1456622), wk = 0.0029240 k( 310) = ( 0.0000000 -0.3659932 0.1412482), wk = 0.0029240 k( 311) = ( 0.0000000 -0.3545559 0.1368342), wk = 0.0029240 k( 312) = ( 0.0000000 -0.3431186 0.1324202), wk = 0.0029240 k( 313) = ( 0.0000000 -0.3316814 0.1280062), wk = 0.0029240 k( 314) = ( 0.0000000 -0.3202441 0.1235922), wk = 0.0029240 k( 315) = ( 0.0000000 -0.3088068 0.1191782), wk = 0.0029240 k( 316) = ( 0.0000000 -0.2973695 0.1147642), wk = 0.0029240 k( 317) = ( 0.0000000 -0.2859322 0.1103502), wk = 0.0029240 k( 318) = ( 0.0000000 -0.2744949 0.1059362), wk = 0.0029240 k( 319) = ( 0.0000000 -0.2630576 0.1015222), wk = 0.0029240 k( 320) = ( 0.0000000 -0.2516203 0.0971082), wk = 0.0029240 k( 321) = ( 0.0000000 -0.2401831 0.0926942), wk = 0.0029240 k( 322) = ( 0.0000000 -0.2287458 0.0882801), wk = 0.0029240 k( 323) = ( 0.0000000 -0.2173085 0.0838661), wk = 0.0029240 k( 324) = ( 0.0000000 -0.2058712 0.0794521), wk = 0.0029240 k( 325) = ( 0.0000000 -0.1944339 0.0750381), wk = 0.0029240 k( 326) = ( 0.0000000 -0.1829966 0.0706241), wk = 0.0029240 k( 327) = ( 0.0000000 -0.1715593 0.0662101), wk = 0.0029240 k( 328) = ( 0.0000000 -0.1601220 0.0617961), wk = 0.0029240 k( 329) = ( 0.0000000 -0.1486847 0.0573821), wk = 0.0029240 k( 330) = ( 0.0000000 -0.1372475 0.0529681), wk = 0.0029240 k( 331) = ( 0.0000000 -0.1258102 0.0485541), wk = 0.0029240 k( 332) = ( 0.0000000 -0.1143729 0.0441401), wk = 0.0029240 k( 333) = ( 0.0000000 -0.1029356 0.0397261), wk = 0.0029240 k( 334) = ( 0.0000000 -0.0914983 0.0353121), wk = 0.0029240 k( 335) = ( 0.0000000 -0.0800610 0.0308981), wk = 0.0029240 k( 336) = ( 0.0000000 -0.0686237 0.0264840), wk = 0.0029240 k( 337) = ( 0.0000000 -0.0571864 0.0220700), wk = 0.0029240 k( 338) = ( 0.0000000 -0.0457492 0.0176560), wk = 0.0029240 k( 339) = ( 0.0000000 -0.0343119 0.0132420), wk = 0.0029240 k( 340) = ( 0.0000000 -0.0228746 0.0088280), wk = 0.0029240 k( 341) = ( 0.0000000 -0.0114373 0.0044140), wk = 0.0029240 k( 342) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 -0.0000000), wk = 0.0029240 k( 2) = ( 0.0000000 -0.4886364 -0.0000000), wk = 0.0029240 k( 3) = ( 0.0000000 -0.4772727 0.0000000), wk = 0.0029240 k( 4) = ( 0.0000000 -0.4659091 0.0000000), wk = 0.0029240 k( 5) = ( 0.0000000 -0.4545455 0.0000000), wk = 0.0029240 k( 6) = ( 0.0000000 -0.4431818 0.0000000), wk = 0.0029240 k( 7) = ( 0.0000000 -0.4318182 0.0000000), wk = 0.0029240 k( 8) = ( 0.0000000 -0.4204545 0.0000000), wk = 0.0029240 k( 9) = ( 0.0000000 -0.4090909 -0.0000000), wk = 0.0029240 k( 10) = ( 0.0000000 -0.3977273 0.0000000), wk = 0.0029240 k( 11) = ( 0.0000000 -0.3863636 -0.0000000), wk = 0.0029240 k( 12) = ( 0.0000000 -0.3750000 0.0000000), wk = 0.0029240 k( 13) = ( 0.0000000 -0.3636364 0.0000000), wk = 0.0029240 k( 14) = ( 0.0000000 -0.3522727 -0.0000000), wk = 0.0029240 k( 15) = ( 0.0000000 -0.3409091 -0.0000000), wk = 0.0029240 k( 16) = ( 0.0000000 -0.3295455 0.0000000), wk = 0.0029240 k( 17) = ( 0.0000000 -0.3181818 -0.0000000), wk = 0.0029240 k( 18) = ( 0.0000000 -0.3068182 -0.0000000), wk = 0.0029240 k( 19) = ( 0.0000000 -0.2954545 -0.0000000), wk = 0.0029240 k( 20) = ( 0.0000000 -0.2840909 0.0000000), wk = 0.0029240 k( 21) = ( 0.0000000 -0.2727273 0.0000000), wk = 0.0029240 k( 22) = ( 0.0000000 -0.2613636 -0.0000000), wk = 0.0029240 k( 23) = ( 0.0000000 -0.2500000 -0.0000000), wk = 0.0029240 k( 24) = ( 0.0000000 -0.2386364 0.0000000), wk = 0.0029240 k( 25) = ( 0.0000000 -0.2272727 -0.0000000), wk = 0.0029240 k( 26) = ( 0.0000000 -0.2159091 0.0000000), wk = 0.0029240 k( 27) = ( 0.0000000 -0.2045454 -0.0000000), wk = 0.0029240 k( 28) = ( 0.0000000 -0.1931818 -0.0000000), wk = 0.0029240 k( 29) = ( 0.0000000 -0.1818182 0.0000000), wk = 0.0029240 k( 30) = ( 0.0000000 -0.1704546 -0.0000000), wk = 0.0029240 k( 31) = ( 0.0000000 -0.1590909 -0.0000000), wk = 0.0029240 k( 32) = ( 0.0000000 -0.1477273 0.0000000), wk = 0.0029240 k( 33) = ( 0.0000000 -0.1363636 0.0000000), wk = 0.0029240 k( 34) = ( 0.0000000 -0.1250000 -0.0000000), wk = 0.0029240 k( 35) = ( 0.0000000 -0.1136364 0.0000000), wk = 0.0029240 k( 36) = ( 0.0000000 -0.1022727 0.0000000), wk = 0.0029240 k( 37) = ( 0.0000000 -0.0909091 0.0000000), wk = 0.0029240 k( 38) = ( 0.0000000 -0.0795455 0.0000000), wk = 0.0029240 k( 39) = ( 0.0000000 -0.0681818 0.0000000), wk = 0.0029240 k( 40) = ( 0.0000000 -0.0568182 0.0000000), wk = 0.0029240 k( 41) = ( 0.0000000 -0.0454546 0.0000000), wk = 0.0029240 k( 42) = ( 0.0000000 -0.0340909 0.0000000), wk = 0.0029240 k( 43) = ( 0.0000000 -0.0227273 0.0000000), wk = 0.0029240 k( 44) = ( 0.0000000 -0.0113636 0.0000000), wk = 0.0029240 k( 45) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 46) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 47) = ( 0.0111111 -0.0000000 0.0000000), wk = 0.0029240 k( 48) = ( 0.0222222 -0.0000000 0.0000000), wk = 0.0029240 k( 49) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0029240 k( 50) = ( 0.0444444 -0.0000000 0.0000000), wk = 0.0029240 k( 51) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0029240 k( 52) = ( 0.0666667 -0.0000000 0.0000000), wk = 0.0029240 k( 53) = ( 0.0777778 -0.0000000 0.0000000), wk = 0.0029240 k( 54) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0029240 k( 55) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0029240 k( 56) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0029240 k( 57) = ( 0.1222222 -0.0000000 0.0000000), wk = 0.0029240 k( 58) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0029240 k( 59) = ( 0.1444444 -0.0000000 0.0000000), wk = 0.0029240 k( 60) = ( 0.1555556 -0.0000000 0.0000000), wk = 0.0029240 k( 61) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0029240 k( 62) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0029240 k( 63) = ( 0.1888889 -0.0000000 0.0000000), wk = 0.0029240 k( 64) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0029240 k( 65) = ( 0.2111111 -0.0000000 0.0000000), wk = 0.0029240 k( 66) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0029240 k( 67) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0029240 k( 68) = ( 0.2444444 -0.0000000 0.0000000), wk = 0.0029240 k( 69) = ( 0.2555556 0.0000000 -0.0000000), wk = 0.0029240 k( 70) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0029240 k( 71) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0029240 k( 72) = ( 0.2888889 -0.0000000 0.0000000), wk = 0.0029240 k( 73) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0029240 k( 74) = ( 0.3111111 0.0000000 -0.0000000), wk = 0.0029240 k( 75) = ( 0.3222222 -0.0000000 0.0000000), wk = 0.0029240 k( 76) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0029240 k( 77) = ( 0.3444444 0.0000000 -0.0000000), wk = 0.0029240 k( 78) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0029240 k( 79) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0029240 k( 80) = ( 0.3777778 -0.0000000 0.0000000), wk = 0.0029240 k( 81) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0029240 k( 82) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0029240 k( 83) = ( 0.4111111 -0.0000000 0.0000000), wk = 0.0029240 k( 84) = ( 0.4222222 -0.0000000 0.0000000), wk = 0.0029240 k( 85) = ( 0.4333333 0.0000000 -0.0000000), wk = 0.0029240 k( 86) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0029240 k( 87) = ( 0.4555556 -0.0000000 0.0000000), wk = 0.0029240 k( 88) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0029240 k( 89) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0029240 k( 90) = ( 0.4888889 -0.0000000 0.0000000), wk = 0.0029240 k( 91) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0029240 k( 92) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0029240 k( 93) = ( 0.4893617 -0.4893617 0.0000000), wk = 0.0029240 k( 94) = ( 0.4787234 -0.4787234 -0.0000000), wk = 0.0029240 k( 95) = ( 0.4680851 -0.4680851 0.0000000), wk = 0.0029240 k( 96) = ( 0.4574468 -0.4574468 -0.0000000), wk = 0.0029240 k( 97) = ( 0.4468085 -0.4468085 0.0000000), wk = 0.0029240 k( 98) = ( 0.4361702 -0.4361702 0.0000000), wk = 0.0029240 k( 99) = ( 0.4255319 -0.4255319 0.0000000), wk = 0.0029240 k( 100) = ( 0.4148936 -0.4148936 -0.0000000), wk = 0.0029240 k( 101) = ( 0.4042553 -0.4042553 0.0000000), wk = 0.0029240 k( 102) = ( 0.3936170 -0.3936170 -0.0000000), wk = 0.0029240 k( 103) = ( 0.3829787 -0.3829787 0.0000000), wk = 0.0029240 k( 104) = ( 0.3723404 -0.3723404 -0.0000000), wk = 0.0029240 k( 105) = ( 0.3617021 -0.3617021 -0.0000000), wk = 0.0029240 k( 106) = ( 0.3510638 -0.3510638 -0.0000000), wk = 0.0029240 k( 107) = ( 0.3404255 -0.3404255 -0.0000000), wk = 0.0029240 k( 108) = ( 0.3297872 -0.3297872 0.0000000), wk = 0.0029240 k( 109) = ( 0.3191489 -0.3191489 0.0000000), wk = 0.0029240 k( 110) = ( 0.3085106 -0.3085106 -0.0000000), wk = 0.0029240 k( 111) = ( 0.2978723 -0.2978723 -0.0000000), wk = 0.0029240 k( 112) = ( 0.2872340 -0.2872340 0.0000000), wk = 0.0029240 k( 113) = ( 0.2765957 -0.2765957 -0.0000000), wk = 0.0029240 k( 114) = ( 0.2659574 -0.2659574 0.0000000), wk = 0.0029240 k( 115) = ( 0.2553191 -0.2553191 0.0000000), wk = 0.0029240 k( 116) = ( 0.2446809 -0.2446809 0.0000000), wk = 0.0029240 k( 117) = ( 0.2340425 -0.2340425 -0.0000000), wk = 0.0029240 k( 118) = ( 0.2234043 -0.2234043 0.0000000), wk = 0.0029240 k( 119) = ( 0.2127660 -0.2127660 0.0000000), wk = 0.0029240 k( 120) = ( 0.2021277 -0.2021277 0.0000000), wk = 0.0029240 k( 121) = ( 0.1914894 -0.1914894 0.0000000), wk = 0.0029240 k( 122) = ( 0.1808511 -0.1808511 0.0000000), wk = 0.0029240 k( 123) = ( 0.1702128 -0.1702128 0.0000000), wk = 0.0029240 k( 124) = ( 0.1595745 -0.1595745 0.0000000), wk = 0.0029240 k( 125) = ( 0.1489362 -0.1489362 -0.0000000), wk = 0.0029240 k( 126) = ( 0.1382979 -0.1382979 -0.0000000), wk = 0.0029240 k( 127) = ( 0.1276596 -0.1276596 -0.0000000), wk = 0.0029240 k( 128) = ( 0.1170213 -0.1170213 0.0000000), wk = 0.0029240 k( 129) = ( 0.1063830 -0.1063830 0.0000000), wk = 0.0029240 k( 130) = ( 0.0957447 -0.0957447 0.0000000), wk = 0.0029240 k( 131) = ( 0.0851064 -0.0851064 0.0000000), wk = 0.0029240 k( 132) = ( 0.0744681 -0.0744681 0.0000000), wk = 0.0029240 k( 133) = ( 0.0638298 -0.0638298 0.0000000), wk = 0.0029240 k( 134) = ( 0.0531915 -0.0531915 0.0000000), wk = 0.0029240 k( 135) = ( 0.0425532 -0.0425532 0.0000000), wk = 0.0029240 k( 136) = ( 0.0319149 -0.0319149 0.0000000), wk = 0.0029240 k( 137) = ( 0.0212766 -0.0212766 0.0000000), wk = 0.0029240 k( 138) = ( 0.0106383 -0.0106383 0.0000000), wk = 0.0029240 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 141) = ( -0.0098039 0.0000000 0.0098039), wk = 0.0029240 k( 142) = ( -0.0196078 0.0000000 0.0196078), wk = 0.0029240 k( 143) = ( -0.0294118 0.0000000 0.0294118), wk = 0.0029240 k( 144) = ( -0.0392157 0.0000000 0.0392157), wk = 0.0029240 k( 145) = ( -0.0490196 0.0000000 0.0490196), wk = 0.0029240 k( 146) = ( -0.0588235 0.0000000 0.0588235), wk = 0.0029240 k( 147) = ( -0.0686275 0.0000000 0.0686274), wk = 0.0029240 k( 148) = ( -0.0784314 0.0000000 0.0784314), wk = 0.0029240 k( 149) = ( -0.0882353 0.0000000 0.0882353), wk = 0.0029240 k( 150) = ( -0.0980392 0.0000000 0.0980392), wk = 0.0029240 k( 151) = ( -0.1078431 0.0000000 0.1078431), wk = 0.0029240 k( 152) = ( -0.1176471 0.0000000 0.1176471), wk = 0.0029240 k( 153) = ( -0.1274510 0.0000000 0.1274510), wk = 0.0029240 k( 154) = ( -0.1372549 0.0000000 0.1372549), wk = 0.0029240 k( 155) = ( -0.1470588 0.0000000 0.1470588), wk = 0.0029240 k( 156) = ( -0.1568627 0.0000000 0.1568627), wk = 0.0029240 k( 157) = ( -0.1666667 0.0000000 0.1666667), wk = 0.0029240 k( 158) = ( -0.1764706 0.0000000 0.1764706), wk = 0.0029240 k( 159) = ( -0.1862745 0.0000000 0.1862745), wk = 0.0029240 k( 160) = ( -0.1960784 0.0000000 0.1960784), wk = 0.0029240 k( 161) = ( -0.2058823 0.0000000 0.2058823), wk = 0.0029240 k( 162) = ( -0.2156863 0.0000000 0.2156863), wk = 0.0029240 k( 163) = ( -0.2254902 0.0000000 0.2254902), wk = 0.0029240 k( 164) = ( -0.2352941 0.0000000 0.2352941), wk = 0.0029240 k( 165) = ( -0.2450980 0.0000000 0.2450980), wk = 0.0029240 k( 166) = ( -0.2549020 0.0000000 0.2549020), wk = 0.0029240 k( 167) = ( -0.2647059 0.0000000 0.2647059), wk = 0.0029240 k( 168) = ( -0.2745098 0.0000000 0.2745098), wk = 0.0029240 k( 169) = ( -0.2843137 0.0000000 0.2843137), wk = 0.0029240 k( 170) = ( -0.2941177 0.0000000 0.2941177), wk = 0.0029240 k( 171) = ( -0.3039216 0.0000000 0.3039216), wk = 0.0029240 k( 172) = ( -0.3137255 0.0000000 0.3137255), wk = 0.0029240 k( 173) = ( -0.3235294 0.0000000 0.3235294), wk = 0.0029240 k( 174) = ( -0.3333333 0.0000000 0.3333333), wk = 0.0029240 k( 175) = ( -0.3431373 0.0000000 0.3431372), wk = 0.0029240 k( 176) = ( -0.3529412 0.0000000 0.3529412), wk = 0.0029240 k( 177) = ( -0.3627451 0.0000000 0.3627451), wk = 0.0029240 k( 178) = ( -0.3725490 0.0000000 0.3725490), wk = 0.0029240 k( 179) = ( -0.3823529 0.0000000 0.3823529), wk = 0.0029240 k( 180) = ( -0.3921569 0.0000000 0.3921569), wk = 0.0029240 k( 181) = ( -0.4019608 0.0000000 0.4019608), wk = 0.0029240 k( 182) = ( -0.4117647 0.0000000 0.4117647), wk = 0.0029240 k( 183) = ( -0.4215686 0.0000000 0.4215686), wk = 0.0029240 k( 184) = ( -0.4313726 0.0000000 0.4313726), wk = 0.0029240 k( 185) = ( -0.4411765 0.0000000 0.4411765), wk = 0.0029240 k( 186) = ( -0.4509804 0.0000000 0.4509804), wk = 0.0029240 k( 187) = ( -0.4607843 0.0000000 0.4607843), wk = 0.0029240 k( 188) = ( -0.4705882 0.0000000 0.4705882), wk = 0.0029240 k( 189) = ( -0.4803922 0.0000000 0.4803922), wk = 0.0029240 k( 190) = ( -0.4901961 0.0000000 0.4901961), wk = 0.0029240 k( 191) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0029240 k( 192) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0029240 k( 193) = ( -0.4934211 -0.4934211 0.4934211), wk = 0.0029240 k( 194) = ( -0.4868421 -0.4868421 0.4868421), wk = 0.0029240 k( 195) = ( -0.4802632 -0.4802632 0.4802632), wk = 0.0029240 k( 196) = ( -0.4736842 -0.4736842 0.4736842), wk = 0.0029240 k( 197) = ( -0.4671053 -0.4671053 0.4671053), wk = 0.0029240 k( 198) = ( -0.4605263 -0.4605263 0.4605263), wk = 0.0029240 k( 199) = ( -0.4539474 -0.4539474 0.4539474), wk = 0.0029240 k( 200) = ( -0.4473684 -0.4473684 0.4473684), wk = 0.0029240 k( 201) = ( -0.4407895 -0.4407895 0.4407895), wk = 0.0029240 k( 202) = ( -0.4342105 -0.4342105 0.4342105), wk = 0.0029240 k( 203) = ( -0.4276316 -0.4276316 0.4276316), wk = 0.0029240 k( 204) = ( -0.4210526 -0.4210526 0.4210526), wk = 0.0029240 k( 205) = ( -0.4144737 -0.4144737 0.4144737), wk = 0.0029240 k( 206) = ( -0.4078947 -0.4078947 0.4078947), wk = 0.0029240 k( 207) = ( -0.4013158 -0.4013158 0.4013158), wk = 0.0029240 k( 208) = ( -0.3947368 -0.3947368 0.3947368), wk = 0.0029240 k( 209) = ( -0.3881579 -0.3881579 0.3881579), wk = 0.0029240 k( 210) = ( -0.3815789 -0.3815789 0.3815789), wk = 0.0029240 k( 211) = ( -0.3750000 -0.3750000 0.3750000), wk = 0.0029240 k( 212) = ( -0.3684211 -0.3684211 0.3684211), wk = 0.0029240 k( 213) = ( -0.3618421 -0.3618421 0.3618421), wk = 0.0029240 k( 214) = ( -0.3552632 -0.3552632 0.3552632), wk = 0.0029240 k( 215) = ( -0.3486842 -0.3486842 0.3486842), wk = 0.0029240 k( 216) = ( -0.3421053 -0.3421053 0.3421053), wk = 0.0029240 k( 217) = ( -0.3355263 -0.3355263 0.3355263), wk = 0.0029240 k( 218) = ( -0.3289474 -0.3289474 0.3289474), wk = 0.0029240 k( 219) = ( -0.3223684 -0.3223684 0.3223684), wk = 0.0029240 k( 220) = ( -0.3157895 -0.3157895 0.3157895), wk = 0.0029240 k( 221) = ( -0.3092105 -0.3092105 0.3092105), wk = 0.0029240 k( 222) = ( -0.3026316 -0.3026316 0.3026316), wk = 0.0029240 k( 223) = ( -0.2960526 -0.2960526 0.2960526), wk = 0.0029240 k( 224) = ( -0.2894737 -0.2894737 0.2894737), wk = 0.0029240 k( 225) = ( -0.2828947 -0.2828947 0.2828947), wk = 0.0029240 k( 226) = ( -0.2763158 -0.2763158 0.2763158), wk = 0.0029240 k( 227) = ( -0.2697368 -0.2697368 0.2697368), wk = 0.0029240 k( 228) = ( -0.2631579 -0.2631579 0.2631579), wk = 0.0029240 k( 229) = ( -0.2565789 -0.2565789 0.2565789), wk = 0.0029240 k( 230) = ( -0.2500000 -0.2500000 0.2500000), wk = 0.0029240 k( 231) = ( -0.2434210 -0.2434210 0.2434210), wk = 0.0029240 k( 232) = ( -0.2368421 -0.2368421 0.2368421), wk = 0.0029240 k( 233) = ( -0.2302632 -0.2302632 0.2302632), wk = 0.0029240 k( 234) = ( -0.2236842 -0.2236842 0.2236842), wk = 0.0029240 k( 235) = ( -0.2171053 -0.2171053 0.2171053), wk = 0.0029240 k( 236) = ( -0.2105263 -0.2105263 0.2105263), wk = 0.0029240 k( 237) = ( -0.2039474 -0.2039474 0.2039474), wk = 0.0029240 k( 238) = ( -0.1973684 -0.1973684 0.1973684), wk = 0.0029240 k( 239) = ( -0.1907895 -0.1907895 0.1907895), wk = 0.0029240 k( 240) = ( -0.1842105 -0.1842105 0.1842105), wk = 0.0029240 k( 241) = ( -0.1776316 -0.1776316 0.1776316), wk = 0.0029240 k( 242) = ( -0.1710526 -0.1710526 0.1710526), wk = 0.0029240 k( 243) = ( -0.1644737 -0.1644737 0.1644737), wk = 0.0029240 k( 244) = ( -0.1578947 -0.1578947 0.1578947), wk = 0.0029240 k( 245) = ( -0.1513158 -0.1513158 0.1513158), wk = 0.0029240 k( 246) = ( -0.1447368 -0.1447368 0.1447368), wk = 0.0029240 k( 247) = ( -0.1381579 -0.1381579 0.1381579), wk = 0.0029240 k( 248) = ( -0.1315790 -0.1315789 0.1315790), wk = 0.0029240 k( 249) = ( -0.1250000 -0.1250000 0.1250000), wk = 0.0029240 k( 250) = ( -0.1184210 -0.1184210 0.1184210), wk = 0.0029240 k( 251) = ( -0.1118421 -0.1118421 0.1118421), wk = 0.0029240 k( 252) = ( -0.1052632 -0.1052632 0.1052632), wk = 0.0029240 k( 253) = ( -0.0986842 -0.0986842 0.0986842), wk = 0.0029240 k( 254) = ( -0.0921053 -0.0921053 0.0921053), wk = 0.0029240 k( 255) = ( -0.0855263 -0.0855263 0.0855263), wk = 0.0029240 k( 256) = ( -0.0789474 -0.0789474 0.0789474), wk = 0.0029240 k( 257) = ( -0.0723684 -0.0723684 0.0723684), wk = 0.0029240 k( 258) = ( -0.0657895 -0.0657895 0.0657895), wk = 0.0029240 k( 259) = ( -0.0592105 -0.0592105 0.0592105), wk = 0.0029240 k( 260) = ( -0.0526316 -0.0526316 0.0526316), wk = 0.0029240 k( 261) = ( -0.0460526 -0.0460526 0.0460526), wk = 0.0029240 k( 262) = ( -0.0394737 -0.0394737 0.0394737), wk = 0.0029240 k( 263) = ( -0.0328947 -0.0328947 0.0328947), wk = 0.0029240 k( 264) = ( -0.0263158 -0.0263158 0.0263158), wk = 0.0029240 k( 265) = ( -0.0197368 -0.0197368 0.0197368), wk = 0.0029240 k( 266) = ( -0.0131579 -0.0131579 0.0131579), wk = 0.0029240 k( 267) = ( -0.0065790 -0.0065790 0.0065790), wk = 0.0029240 k( 268) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 269) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 270) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0029240 k( 271) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0029240 k( 272) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0029240 k( 273) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0029240 k( 274) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0029240 k( 275) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0029240 k( 276) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0029240 k( 277) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0029240 k( 278) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0029240 k( 279) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0029240 k( 280) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0029240 k( 281) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0029240 k( 282) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029240 k( 283) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0029240 k( 284) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0029240 k( 285) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0029240 k( 286) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0029240 k( 287) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0029240 k( 288) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0029240 k( 289) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0029240 k( 290) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0029240 k( 291) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0029240 k( 292) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0029240 k( 293) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0029240 k( 294) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0029240 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 296) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0029240 k( 297) = ( 0.0000000 -0.4891304 0.4891304), wk = 0.0029240 k( 298) = ( 0.0000000 -0.4782609 0.4782609), wk = 0.0029240 k( 299) = ( 0.0000000 -0.4673913 0.4673913), wk = 0.0029240 k( 300) = ( 0.0000000 -0.4565217 0.4565217), wk = 0.0029240 k( 301) = ( 0.0000000 -0.4456522 0.4456522), wk = 0.0029240 k( 302) = ( 0.0000000 -0.4347826 0.4347826), wk = 0.0029240 k( 303) = ( 0.0000000 -0.4239130 0.4239130), wk = 0.0029240 k( 304) = ( 0.0000000 -0.4130435 0.4130435), wk = 0.0029240 k( 305) = ( 0.0000000 -0.4021739 0.4021739), wk = 0.0029240 k( 306) = ( 0.0000000 -0.3913043 0.3913044), wk = 0.0029240 k( 307) = ( 0.0000000 -0.3804348 0.3804348), wk = 0.0029240 k( 308) = ( 0.0000000 -0.3695652 0.3695652), wk = 0.0029240 k( 309) = ( 0.0000000 -0.3586956 0.3586956), wk = 0.0029240 k( 310) = ( 0.0000000 -0.3478261 0.3478261), wk = 0.0029240 k( 311) = ( 0.0000000 -0.3369565 0.3369565), wk = 0.0029240 k( 312) = ( 0.0000000 -0.3260870 0.3260870), wk = 0.0029240 k( 313) = ( 0.0000000 -0.3152174 0.3152174), wk = 0.0029240 k( 314) = ( 0.0000000 -0.3043478 0.3043478), wk = 0.0029240 k( 315) = ( 0.0000000 -0.2934783 0.2934783), wk = 0.0029240 k( 316) = ( 0.0000000 -0.2826087 0.2826087), wk = 0.0029240 k( 317) = ( 0.0000000 -0.2717391 0.2717391), wk = 0.0029240 k( 318) = ( 0.0000000 -0.2608696 0.2608696), wk = 0.0029240 k( 319) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0029240 k( 320) = ( 0.0000000 -0.2391304 0.2391304), wk = 0.0029240 k( 321) = ( 0.0000000 -0.2282609 0.2282609), wk = 0.0029240 k( 322) = ( 0.0000000 -0.2173913 0.2173913), wk = 0.0029240 k( 323) = ( 0.0000000 -0.2065217 0.2065217), wk = 0.0029240 k( 324) = ( 0.0000000 -0.1956522 0.1956522), wk = 0.0029240 k( 325) = ( 0.0000000 -0.1847826 0.1847826), wk = 0.0029240 k( 326) = ( 0.0000000 -0.1739130 0.1739130), wk = 0.0029240 k( 327) = ( 0.0000000 -0.1630435 0.1630435), wk = 0.0029240 k( 328) = ( 0.0000000 -0.1521739 0.1521739), wk = 0.0029240 k( 329) = ( 0.0000000 -0.1413043 0.1413043), wk = 0.0029240 k( 330) = ( 0.0000000 -0.1304348 0.1304348), wk = 0.0029240 k( 331) = ( 0.0000000 -0.1195652 0.1195652), wk = 0.0029240 k( 332) = ( 0.0000000 -0.1086956 0.1086957), wk = 0.0029240 k( 333) = ( 0.0000000 -0.0978261 0.0978261), wk = 0.0029240 k( 334) = ( 0.0000000 -0.0869565 0.0869565), wk = 0.0029240 k( 335) = ( 0.0000000 -0.0760870 0.0760870), wk = 0.0029240 k( 336) = ( 0.0000000 -0.0652174 0.0652174), wk = 0.0029240 k( 337) = ( 0.0000000 -0.0543478 0.0543478), wk = 0.0029240 k( 338) = ( 0.0000000 -0.0434783 0.0434783), wk = 0.0029240 k( 339) = ( 0.0000000 -0.0326087 0.0326087), wk = 0.0029240 k( 340) = ( 0.0000000 -0.0217391 0.0217391), wk = 0.0029240 k( 341) = ( 0.0000000 -0.0108696 0.0108696), wk = 0.0029240 k( 342) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 Dense grid: 59483 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 26209 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 168, 60) NL pseudopotentials 0.18 Mb ( 84, 142) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1239) G-vector shells 0.01 Mb ( 1239) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 168, 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): 1.829E-04 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 42.5 secs Computing kpt #: 2 total cpu time spent up to now is 45.2 secs Computing kpt #: 3 total cpu time spent up to now is 48.0 secs Computing kpt #: 4 total cpu time spent up to now is 50.6 secs Computing kpt #: 5 total cpu time spent up to now is 53.3 secs Computing kpt #: 6 total cpu time spent up to now is 56.1 secs Computing kpt #: 7 total cpu time spent up to now is 58.8 secs Computing kpt #: 8 total cpu time spent up to now is 61.6 secs Computing kpt #: 9 total cpu time spent up to now is 64.4 secs Computing kpt #: 10 total cpu time spent up to now is 67.4 secs Computing kpt #: 11 total cpu time spent up to now is 70.3 secs Computing kpt #: 12 total cpu time spent up to now is 73.1 secs Computing kpt #: 13 total cpu time spent up to now is 75.9 secs Computing kpt #: 14 total cpu time spent up to now is 78.6 secs Computing kpt #: 15 total cpu time spent up to now is 81.4 secs Computing kpt #: 16 total cpu time spent up to now is 84.2 secs Computing kpt #: 17 total cpu time spent up to now is 86.8 secs Computing kpt #: 18 total cpu time spent up to now is 89.6 secs Computing kpt #: 19 total cpu time spent up to now is 92.5 secs Computing kpt #: 20 total cpu time spent up to now is 95.3 secs Computing kpt #: 21 total cpu time spent up to now is 98.0 secs Computing kpt #: 22 total cpu time spent up to now is 100.9 secs Computing kpt #: 23 total cpu time spent up to now is 103.5 secs Computing kpt #: 24 total cpu time spent up to now is 106.3 secs Computing kpt #: 25 total cpu time spent up to now is 109.2 secs Computing kpt #: 26 total cpu time spent up to now is 112.1 secs Computing kpt #: 27 total cpu time spent up to now is 114.9 secs Computing kpt #: 28 total cpu time spent up to now is 118.0 secs Computing kpt #: 29 total cpu time spent up to now is 121.0 secs Computing kpt #: 30 total cpu time spent up to now is 124.2 secs Computing kpt #: 31 total cpu time spent up to now is 127.3 secs Computing kpt #: 32 total cpu time spent up to now is 130.5 secs Computing kpt #: 33 total cpu time spent up to now is 133.5 secs Computing kpt #: 34 total cpu time spent up to now is 136.6 secs Computing kpt #: 35 total cpu time spent up to now is 139.7 secs Computing kpt #: 36 total cpu time spent up to now is 142.7 secs Computing kpt #: 37 total cpu time spent up to now is 145.7 secs Computing kpt #: 38 total cpu time spent up to now is 149.1 secs Computing kpt #: 39 total cpu time spent up to now is 152.3 secs Computing kpt #: 40 total cpu time spent up to now is 155.3 secs Computing kpt #: 41 total cpu time spent up to now is 158.4 secs Computing kpt #: 42 total cpu time spent up to now is 161.4 secs Computing kpt #: 43 total cpu time spent up to now is 164.4 secs Computing kpt #: 44 total cpu time spent up to now is 167.4 secs Computing kpt #: 45 total cpu time spent up to now is 170.5 secs Computing kpt #: 46 total cpu time spent up to now is 173.3 secs Computing kpt #: 47 total cpu time spent up to now is 176.4 secs Computing kpt #: 48 total cpu time spent up to now is 179.4 secs Computing kpt #: 49 total cpu time spent up to now is 182.7 secs Computing kpt #: 50 total cpu time spent up to now is 185.8 secs Computing kpt #: 51 total cpu time spent up to now is 188.7 secs Computing kpt #: 52 total cpu time spent up to now is 191.9 secs Computing kpt #: 53 total cpu time spent up to now is 195.3 secs Computing kpt #: 54 total cpu time spent up to now is 198.4 secs Computing kpt #: 55 total cpu time spent up to now is 201.8 secs Computing kpt #: 56 total cpu time spent up to now is 205.0 secs Computing kpt #: 57 total cpu time spent up to now is 208.1 secs Computing kpt #: 58 total cpu time spent up to now is 211.2 secs Computing kpt #: 59 total cpu time spent up to now is 215.1 secs Computing kpt #: 60 total cpu time spent up to now is 219.6 secs Computing kpt #: 61 total cpu time spent up to now is 222.7 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 228.5 secs Computing kpt #: 63 total cpu time spent up to now is 232.0 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 237.2 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.2 secs Computing kpt #: 66 total cpu time spent up to now is 246.6 secs Computing kpt #: 67 total cpu time spent up to now is 250.1 secs Computing kpt #: 68 total cpu time spent up to now is 253.1 secs Computing kpt #: 69 total cpu time spent up to now is 256.0 secs Computing kpt #: 70 total cpu time spent up to now is 258.9 secs Computing kpt #: 71 total cpu time spent up to now is 261.7 secs Computing kpt #: 72 total cpu time spent up to now is 264.3 secs Computing kpt #: 73 total cpu time spent up to now is 267.1 secs Computing kpt #: 74 total cpu time spent up to now is 269.9 secs Computing kpt #: 75 total cpu time spent up to now is 272.5 secs Computing kpt #: 76 total cpu time spent up to now is 275.2 secs Computing kpt #: 77 total cpu time spent up to now is 277.7 secs Computing kpt #: 78 total cpu time spent up to now is 280.4 secs Computing kpt #: 79 total cpu time spent up to now is 283.7 secs Computing kpt #: 80 total cpu time spent up to now is 287.4 secs Computing kpt #: 81 total cpu time spent up to now is 290.2 secs Computing kpt #: 82 total cpu time spent up to now is 292.7 secs Computing kpt #: 83 total cpu time spent up to now is 295.4 secs Computing kpt #: 84 total cpu time spent up to now is 297.9 secs Computing kpt #: 85 total cpu time spent up to now is 300.5 secs Computing kpt #: 86 total cpu time spent up to now is 303.0 secs Computing kpt #: 87 total cpu time spent up to now is 305.5 secs Computing kpt #: 88 total cpu time spent up to now is 307.9 secs Computing kpt #: 89 total cpu time spent up to now is 310.7 secs Computing kpt #: 90 total cpu time spent up to now is 313.3 secs Computing kpt #: 91 total cpu time spent up to now is 315.7 secs Computing kpt #: 92 total cpu time spent up to now is 318.9 secs Computing kpt #: 93 total cpu time spent up to now is 322.1 secs Computing kpt #: 94 total cpu time spent up to now is 325.0 secs Computing kpt #: 95 total cpu time spent up to now is 327.8 secs Computing kpt #: 96 total cpu time spent up to now is 330.5 secs Computing kpt #: 97 total cpu time spent up to now is 333.4 secs Computing kpt #: 98 total cpu time spent up to now is 336.2 secs Computing kpt #: 99 total cpu time spent up to now is 338.9 secs Computing kpt #: 100 total cpu time spent up to now is 341.9 secs Computing kpt #: 101 total cpu time spent up to now is 345.2 secs Computing kpt #: 102 total cpu time spent up to now is 348.3 secs Computing kpt #: 103 total cpu time spent up to now is 351.3 secs Computing kpt #: 104 total cpu time spent up to now is 354.1 secs Computing kpt #: 105 total cpu time spent up to now is 357.8 secs Computing kpt #: 106 total cpu time spent up to now is 361.4 secs Computing kpt #: 107 total cpu time spent up to now is 365.0 secs Computing kpt #: 108 total cpu time spent up to now is 367.9 secs Computing kpt #: 109 total cpu time spent up to now is 370.9 secs Computing kpt #: 110 total cpu time spent up to now is 374.8 secs Computing kpt #: 111 total cpu time spent up to now is 378.5 secs Computing kpt #: 112 total cpu time spent up to now is 381.7 secs Computing kpt #: 113 total cpu time spent up to now is 384.8 secs Computing kpt #: 114 total cpu time spent up to now is 388.9 secs Computing kpt #: 115 total cpu time spent up to now is 392.1 secs Computing kpt #: 116 total cpu time spent up to now is 395.2 secs Computing kpt #: 117 total cpu time spent up to now is 399.3 secs Computing kpt #: 118 total cpu time spent up to now is 403.3 secs Computing kpt #: 119 total cpu time spent up to now is 406.4 secs Computing kpt #: 120 total cpu time spent up to now is 409.7 secs Computing kpt #: 121 total cpu time spent up to now is 414.0 secs Computing kpt #: 122 total cpu time spent up to now is 419.0 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 424.0 secs Computing kpt #: 124 total cpu time spent up to now is 429.3 secs Computing kpt #: 125 total cpu time spent up to now is 434.2 secs Computing kpt #: 126 total cpu time spent up to now is 438.6 secs Computing kpt #: 127 total cpu time spent up to now is 441.7 secs Computing kpt #: 128 total cpu time spent up to now is 444.8 secs Computing kpt #: 129 total cpu time spent up to now is 449.9 secs Computing kpt #: 130 total cpu time spent up to now is 452.9 secs Computing kpt #: 131 total cpu time spent up to now is 457.1 secs Computing kpt #: 132 total cpu time spent up to now is 460.7 secs Computing kpt #: 133 total cpu time spent up to now is 464.3 secs Computing kpt #: 134 total cpu time spent up to now is 467.7 secs Computing kpt #: 135 total cpu time spent up to now is 470.7 secs Computing kpt #: 136 total cpu time spent up to now is 473.8 secs Computing kpt #: 137 total cpu time spent up to now is 476.8 secs Computing kpt #: 138 total cpu time spent up to now is 479.9 secs Computing kpt #: 139 total cpu time spent up to now is 482.9 secs Computing kpt #: 140 total cpu time spent up to now is 485.8 secs Computing kpt #: 141 total cpu time spent up to now is 488.8 secs Computing kpt #: 142 total cpu time spent up to now is 492.2 secs Computing kpt #: 143 total cpu time spent up to now is 495.2 secs Computing kpt #: 144 total cpu time spent up to now is 498.5 secs Computing kpt #: 145 total cpu time spent up to now is 501.8 secs Computing kpt #: 146 total cpu time spent up to now is 505.5 secs Computing kpt #: 147 total cpu time spent up to now is 508.8 secs Computing kpt #: 148 total cpu time spent up to now is 512.1 secs Computing kpt #: 149 total cpu time spent up to now is 516.3 secs Computing kpt #: 150 total cpu time spent up to now is 520.9 secs Computing kpt #: 151 total cpu time spent up to now is 524.0 secs Computing kpt #: 152 total cpu time spent up to now is 527.5 secs Computing kpt #: 153 total cpu time spent up to now is 531.6 secs Computing kpt #: 154 total cpu time spent up to now is 535.0 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 540.1 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 545.2 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 550.4 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.2 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 561.4 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.5 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 571.8 secs Computing kpt #: 162 total cpu time spent up to now is 576.1 secs Computing kpt #: 163 total cpu time spent up to now is 580.2 secs Computing kpt #: 164 total cpu time spent up to now is 584.3 secs Computing kpt #: 165 total cpu time spent up to now is 588.2 secs Computing kpt #: 166 total cpu time spent up to now is 591.9 secs Computing kpt #: 167 total cpu time spent up to now is 594.6 secs Computing kpt #: 168 total cpu time spent up to now is 597.7 secs Computing kpt #: 169 total cpu time spent up to now is 600.5 secs Computing kpt #: 170 total cpu time spent up to now is 603.6 secs Computing kpt #: 171 total cpu time spent up to now is 606.5 secs Computing kpt #: 172 total cpu time spent up to now is 609.3 secs Computing kpt #: 173 total cpu time spent up to now is 612.0 secs Computing kpt #: 174 total cpu time spent up to now is 614.6 secs Computing kpt #: 175 total cpu time spent up to now is 617.5 secs Computing kpt #: 176 total cpu time spent up to now is 620.1 secs Computing kpt #: 177 total cpu time spent up to now is 622.8 secs Computing kpt #: 178 total cpu time spent up to now is 625.7 secs Computing kpt #: 179 total cpu time spent up to now is 628.2 secs Computing kpt #: 180 total cpu time spent up to now is 630.9 secs Computing kpt #: 181 total cpu time spent up to now is 633.5 secs Computing kpt #: 182 total cpu time spent up to now is 636.0 secs Computing kpt #: 183 total cpu time spent up to now is 638.9 secs Computing kpt #: 184 total cpu time spent up to now is 641.5 secs Computing kpt #: 185 total cpu time spent up to now is 644.4 secs Computing kpt #: 186 total cpu time spent up to now is 646.8 secs Computing kpt #: 187 total cpu time spent up to now is 649.3 secs Computing kpt #: 188 total cpu time spent up to now is 651.8 secs Computing kpt #: 189 total cpu time spent up to now is 654.3 secs Computing kpt #: 190 total cpu time spent up to now is 657.0 secs Computing kpt #: 191 total cpu time spent up to now is 659.4 secs Computing kpt #: 192 total cpu time spent up to now is 662.2 secs Computing kpt #: 193 total cpu time spent up to now is 665.3 secs Computing kpt #: 194 total cpu time spent up to now is 668.9 secs Computing kpt #: 195 total cpu time spent up to now is 671.8 secs Computing kpt #: 196 total cpu time spent up to now is 674.8 secs Computing kpt #: 197 total cpu time spent up to now is 677.8 secs Computing kpt #: 198 total cpu time spent up to now is 680.7 secs Computing kpt #: 199 total cpu time spent up to now is 683.7 secs Computing kpt #: 200 total cpu time spent up to now is 686.6 secs Computing kpt #: 201 total cpu time spent up to now is 689.5 secs Computing kpt #: 202 total cpu time spent up to now is 692.3 secs Computing kpt #: 203 total cpu time spent up to now is 695.2 secs Computing kpt #: 204 total cpu time spent up to now is 698.2 secs Computing kpt #: 205 total cpu time spent up to now is 701.0 secs Computing kpt #: 206 total cpu time spent up to now is 703.7 secs Computing kpt #: 207 total cpu time spent up to now is 706.4 secs Computing kpt #: 208 total cpu time spent up to now is 709.0 secs Computing kpt #: 209 total cpu time spent up to now is 711.8 secs Computing kpt #: 210 total cpu time spent up to now is 714.3 secs Computing kpt #: 211 total cpu time spent up to now is 717.2 secs Computing kpt #: 212 total cpu time spent up to now is 719.7 secs Computing kpt #: 213 total cpu time spent up to now is 722.6 secs Computing kpt #: 214 total cpu time spent up to now is 725.2 secs Computing kpt #: 215 total cpu time spent up to now is 727.7 secs Computing kpt #: 216 total cpu time spent up to now is 730.3 secs Computing kpt #: 217 total cpu time spent up to now is 732.8 secs Computing kpt #: 218 total cpu time spent up to now is 735.5 secs Computing kpt #: 219 total cpu time spent up to now is 738.0 secs Computing kpt #: 220 total cpu time spent up to now is 740.7 secs Computing kpt #: 221 total cpu time spent up to now is 744.1 secs Computing kpt #: 222 total cpu time spent up to now is 747.2 secs Computing kpt #: 223 total cpu time spent up to now is 749.9 secs Computing kpt #: 224 total cpu time spent up to now is 752.7 secs Computing kpt #: 225 total cpu time spent up to now is 755.3 secs Computing kpt #: 226 total cpu time spent up to now is 758.1 secs Computing kpt #: 227 total cpu time spent up to now is 760.8 secs Computing kpt #: 228 total cpu time spent up to now is 763.6 secs Computing kpt #: 229 total cpu time spent up to now is 766.5 secs Computing kpt #: 230 total cpu time spent up to now is 769.2 secs Computing kpt #: 231 total cpu time spent up to now is 772.0 secs Computing kpt #: 232 total cpu time spent up to now is 774.8 secs Computing kpt #: 233 total cpu time spent up to now is 777.8 secs Computing kpt #: 234 total cpu time spent up to now is 780.6 secs Computing kpt #: 235 total cpu time spent up to now is 783.2 secs Computing kpt #: 236 total cpu time spent up to now is 786.0 secs Computing kpt #: 237 total cpu time spent up to now is 788.7 secs Computing kpt #: 238 total cpu time spent up to now is 791.6 secs Computing kpt #: 239 total cpu time spent up to now is 794.4 secs Computing kpt #: 240 total cpu time spent up to now is 797.6 secs Computing kpt #: 241 total cpu time spent up to now is 800.4 secs Computing kpt #: 242 total cpu time spent up to now is 803.2 secs Computing kpt #: 243 total cpu time spent up to now is 806.3 secs Computing kpt #: 244 total cpu time spent up to now is 809.3 secs Computing kpt #: 245 total cpu time spent up to now is 812.4 secs Computing kpt #: 246 total cpu time spent up to now is 815.4 secs Computing kpt #: 247 total cpu time spent up to now is 818.7 secs Computing kpt #: 248 total cpu time spent up to now is 821.9 secs Computing kpt #: 249 total cpu time spent up to now is 825.3 secs Computing kpt #: 250 total cpu time spent up to now is 828.5 secs Computing kpt #: 251 total cpu time spent up to now is 831.9 secs Computing kpt #: 252 total cpu time spent up to now is 835.3 secs Computing kpt #: 253 total cpu time spent up to now is 838.5 secs Computing kpt #: 254 total cpu time spent up to now is 841.8 secs Computing kpt #: 255 total cpu time spent up to now is 844.9 secs Computing kpt #: 256 total cpu time spent up to now is 847.9 secs Computing kpt #: 257 total cpu time spent up to now is 851.5 secs Computing kpt #: 258 total cpu time spent up to now is 854.4 secs Computing kpt #: 259 total cpu time spent up to now is 857.5 secs Computing kpt #: 260 total cpu time spent up to now is 860.7 secs Computing kpt #: 261 total cpu time spent up to now is 863.8 secs Computing kpt #: 262 total cpu time spent up to now is 866.8 secs Computing kpt #: 263 total cpu time spent up to now is 869.9 secs Computing kpt #: 264 total cpu time spent up to now is 872.9 secs Computing kpt #: 265 total cpu time spent up to now is 875.9 secs Computing kpt #: 266 total cpu time spent up to now is 878.8 secs Computing kpt #: 267 total cpu time spent up to now is 881.9 secs Computing kpt #: 268 total cpu time spent up to now is 886.5 secs Computing kpt #: 269 total cpu time spent up to now is 890.5 secs Computing kpt #: 270 total cpu time spent up to now is 893.6 secs Computing kpt #: 271 total cpu time spent up to now is 896.6 secs Computing kpt #: 272 total cpu time spent up to now is 899.6 secs Computing kpt #: 273 total cpu time spent up to now is 902.7 secs Computing kpt #: 274 total cpu time spent up to now is 905.7 secs Computing kpt #: 275 total cpu time spent up to now is 908.9 secs Computing kpt #: 276 total cpu time spent up to now is 912.0 secs Computing kpt #: 277 total cpu time spent up to now is 915.2 secs Computing kpt #: 278 total cpu time spent up to now is 918.4 secs Computing kpt #: 279 total cpu time spent up to now is 921.7 secs Computing kpt #: 280 total cpu time spent up to now is 924.9 secs Computing kpt #: 281 total cpu time spent up to now is 928.1 secs Computing kpt #: 282 total cpu time spent up to now is 931.2 secs Computing kpt #: 283 total cpu time spent up to now is 934.3 secs Computing kpt #: 284 total cpu time spent up to now is 937.2 secs Computing kpt #: 285 total cpu time spent up to now is 940.2 secs Computing kpt #: 286 total cpu time spent up to now is 943.3 secs Computing kpt #: 287 total cpu time spent up to now is 946.6 secs Computing kpt #: 288 total cpu time spent up to now is 949.5 secs Computing kpt #: 289 total cpu time spent up to now is 952.3 secs Computing kpt #: 290 total cpu time spent up to now is 955.1 secs Computing kpt #: 291 total cpu time spent up to now is 958.0 secs Computing kpt #: 292 total cpu time spent up to now is 960.8 secs Computing kpt #: 293 total cpu time spent up to now is 963.5 secs Computing kpt #: 294 total cpu time spent up to now is 966.1 secs Computing kpt #: 295 total cpu time spent up to now is 968.9 secs Computing kpt #: 296 total cpu time spent up to now is 971.4 secs Computing kpt #: 297 total cpu time spent up to now is 974.2 secs Computing kpt #: 298 total cpu time spent up to now is 977.1 secs Computing kpt #: 299 total cpu time spent up to now is 979.8 secs Computing kpt #: 300 total cpu time spent up to now is 982.4 secs Computing kpt #: 301 total cpu time spent up to now is 985.2 secs Computing kpt #: 302 total cpu time spent up to now is 988.0 secs Computing kpt #: 303 total cpu time spent up to now is 990.8 secs Computing kpt #: 304 total cpu time spent up to now is 994.2 secs Computing kpt #: 305 total cpu time spent up to now is 997.0 secs Computing kpt #: 306 total cpu time spent up to now is 999.9 secs Computing kpt #: 307 total cpu time spent up to now is 1002.8 secs Computing kpt #: 308 total cpu time spent up to now is 1006.0 secs Computing kpt #: 309 total cpu time spent up to now is 1008.8 secs Computing kpt #: 310 total cpu time spent up to now is 1011.6 secs Computing kpt #: 311 total cpu time spent up to now is 1014.4 secs Computing kpt #: 312 total cpu time spent up to now is 1017.4 secs Computing kpt #: 313 total cpu time spent up to now is 1020.6 secs Computing kpt #: 314 total cpu time spent up to now is 1023.3 secs Computing kpt #: 315 total cpu time spent up to now is 1026.4 secs Computing kpt #: 316 total cpu time spent up to now is 1029.6 secs Computing kpt #: 317 total cpu time spent up to now is 1032.7 secs Computing kpt #: 318 total cpu time spent up to now is 1035.8 secs Computing kpt #: 319 total cpu time spent up to now is 1038.9 secs Computing kpt #: 320 total cpu time spent up to now is 1042.1 secs Computing kpt #: 321 total cpu time spent up to now is 1045.2 secs Computing kpt #: 322 total cpu time spent up to now is 1049.1 secs Computing kpt #: 323 total cpu time spent up to now is 1052.3 secs Computing kpt #: 324 total cpu time spent up to now is 1055.5 secs Computing kpt #: 325 total cpu time spent up to now is 1059.1 secs Computing kpt #: 326 total cpu time spent up to now is 1062.2 secs Computing kpt #: 327 total cpu time spent up to now is 1065.4 secs Computing kpt #: 328 total cpu time spent up to now is 1068.6 secs Computing kpt #: 329 total cpu time spent up to now is 1071.8 secs Computing kpt #: 330 total cpu time spent up to now is 1075.3 secs Computing kpt #: 331 total cpu time spent up to now is 1078.5 secs Computing kpt #: 332 total cpu time spent up to now is 1081.7 secs Computing kpt #: 333 total cpu time spent up to now is 1084.7 secs Computing kpt #: 334 total cpu time spent up to now is 1087.7 secs Computing kpt #: 335 total cpu time spent up to now is 1090.7 secs Computing kpt #: 336 total cpu time spent up to now is 1093.8 secs Computing kpt #: 337 total cpu time spent up to now is 1096.8 secs Computing kpt #: 338 total cpu time spent up to now is 1099.7 secs Computing kpt #: 339 total cpu time spent up to now is 1103.4 secs Computing kpt #: 340 total cpu time spent up to now is 1106.4 secs Computing kpt #: 341 total cpu time spent up to now is 1109.9 secs Computing kpt #: 342 total cpu time spent up to now is 1113.0 secs ethr = 2.00E-11, avg # of iterations = 50.5 total cpu time spent up to now is 1113.2 secs End of band structure calculation k = 0.0000-0.5261-0.1216 ( 3256 PWs) bands (ev): -13.1804 -13.1804 -12.6038 -12.6038 -12.1937 -12.1937 -11.5847 -11.5847 -10.8234 -10.8234 -10.5484 -10.5484 -3.4959 -3.4959 -0.8529 -0.8529 -0.5004 -0.5004 0.2669 0.2669 0.7996 0.7996 1.5970 1.5970 2.0031 2.0031 2.4856 2.4856 2.8805 2.8805 3.3588 3.3588 3.6273 3.6273 4.2962 4.2962 4.8439 4.8439 5.0504 5.0504 5.3699 5.3699 6.0339 6.0339 6.4012 6.4012 6.5326 6.5326 6.8990 6.8990 9.8706 9.8706 12.2309 12.2309 13.7940 13.7940 14.7619 14.7619 15.2977 15.2977 k = 0.0000-0.5142-0.1188 ( 3256 PWs) bands (ev): -13.1845 -13.1836 -12.6011 -12.6004 -12.1939 -12.1931 -11.5847 -11.5845 -10.8236 -10.8231 -10.5483 -10.5475 -3.4951 -3.4938 -0.8540 -0.8538 -0.5021 -0.4999 0.2651 0.2702 0.7996 0.8017 1.5933 1.5988 2.0004 2.0045 2.4846 2.4873 2.8705 2.8780 3.3601 3.3676 3.6255 3.6278 4.2955 4.3004 4.8376 4.8451 5.0491 5.0563 5.3668 5.3723 6.0321 6.0345 6.3941 6.4003 6.5329 6.5355 6.9006 6.9024 9.8614 9.8796 12.2242 12.2346 13.7734 13.8121 14.7402 14.7851 15.2878 15.3093 k = 0.0000-0.5022-0.1161 ( 3258 PWs) bands (ev): -13.1955 -13.1939 -12.5924 -12.5911 -12.1936 -12.1919 -11.5845 -11.5841 -10.8234 -10.8225 -10.5471 -10.5456 -3.4912 -3.4886 -0.8571 -0.8568 -0.5050 -0.5006 0.2649 0.2749 0.8017 0.8060 1.5880 1.5988 1.9964 2.0043 2.4844 2.4897 2.8494 2.8632 3.3707 3.3847 3.6225 3.6270 4.2980 4.3079 4.8271 4.8413 5.0527 5.0658 5.3630 5.3741 6.0291 6.0337 6.3801 6.3917 6.5363 6.5408 6.9072 6.9105 9.8519 9.8882 12.2147 12.2354 13.7507 13.8273 14.7207 14.8093 15.2797 15.3226 k = 0.0000-0.4902-0.1133 ( 3255 PWs) bands (ev): -13.2127 -13.2104 -12.5789 -12.5768 -12.1926 -12.1900 -11.5840 -11.5833 -10.8231 -10.8216 -10.5449 -10.5427 -3.4843 -3.4803 -0.8623 -0.8618 -0.5087 -0.5024 0.2662 0.2811 0.8060 0.8123 1.5813 1.5967 1.9911 2.0025 2.4850 2.4921 2.8202 2.8383 3.3879 3.4071 3.6195 3.6259 4.3037 4.3183 4.8135 4.8332 5.0600 5.0775 5.3587 5.3755 6.0252 6.0318 6.3604 6.3766 6.5423 6.5475 6.9183 6.9228 9.8422 9.8965 12.2025 12.2333 13.7264 13.8394 14.7038 14.8338 15.2732 15.3375 k = 0.0000-0.4783-0.1105 ( 3258 PWs) bands (ev): -13.2351 -13.2322 -12.5616 -12.5588 -12.1907 -12.1872 -11.5832 -11.5824 -10.8224 -10.8205 -10.5417 -10.5389 -3.4745 -3.4692 -0.8697 -0.8690 -0.5132 -0.5049 0.2690 0.2885 0.8123 0.8207 1.5734 1.5927 1.9845 1.9988 2.4859 2.4938 2.7862 2.8067 3.4078 3.4309 3.6182 3.6264 4.3120 4.3311 4.7979 4.8222 5.0696 5.0897 5.3540 5.3768 6.0209 6.0292 6.3362 6.3564 6.5497 6.5550 6.9332 6.9385 9.8323 9.9046 12.1878 12.2282 13.7007 13.8480 14.6901 14.8581 15.2684 15.3537 k = 0.0000-0.4663-0.1078 ( 3258 PWs) bands (ev): -13.2616 -13.2582 -12.5420 -12.5385 -12.1877 -12.1831 -11.5823 -11.5812 -10.8214 -10.8191 -10.5375 -10.5340 -3.4616 -3.4550 -0.8793 -0.8785 -0.5179 -0.5079 0.2731 0.2970 0.8204 0.8309 1.5646 1.5867 1.9763 1.9931 2.4859 2.4935 2.7505 2.7720 3.4258 3.4519 3.6215 3.6312 4.3222 4.3456 4.7813 4.8094 5.0796 5.1006 5.3497 5.3783 6.0167 6.0263 6.3086 6.3323 6.5580 6.5629 6.9509 6.9568 9.8225 9.9125 12.1706 12.2203 13.6740 13.8531 14.6796 14.8815 15.2652 15.3711 k = 0.0000-0.4544-0.1050 ( 3259 PWs) bands (ev): -13.2912 -13.2875 -12.5217 -12.5173 -12.1830 -12.1773 -11.5810 -11.5797 -10.8200 -10.8174 -10.5324 -10.5283 -3.4459 -3.4380 -0.8914 -0.8905 -0.5226 -0.5111 0.2785 0.3064 0.8302 0.8429 1.5550 1.5789 1.9666 1.9851 2.4814 2.4903 2.7163 2.7394 3.4373 3.4660 3.6323 3.6435 4.3338 4.3611 4.7644 4.7959 5.0882 5.1084 5.3464 5.3806 6.0131 6.0236 6.2784 6.3053 6.5665 6.5711 6.9707 6.9771 9.8126 9.9203 12.1512 12.2096 13.6467 13.8544 14.6726 14.9037 15.2633 15.3893 k = 0.0000-0.4424-0.1022 ( 3261 PWs) bands (ev): -13.3232 -13.3193 -12.5019 -12.4965 -12.1762 -12.1692 -11.5795 -11.5780 -10.8183 -10.8154 -10.5263 -10.5218 -3.4272 -3.4181 -0.9061 -0.9049 -0.5269 -0.5141 0.2850 0.3166 0.8415 0.8565 1.5449 1.5693 1.9551 1.9749 2.4670 2.4833 2.6861 2.7149 3.4402 3.4710 3.6521 3.6651 4.3457 4.3766 4.7483 4.7825 5.0937 5.1114 5.3453 5.3844 6.0106 6.0216 6.2463 6.2762 6.5750 6.5794 6.9916 6.9988 9.8030 9.9280 12.1297 12.1962 13.6189 13.8523 14.6689 14.9242 15.2627 15.4078 k = 0.0000-0.4305-0.0995 ( 3267 PWs) bands (ev): -13.3569 -13.3527 -12.4838 -12.4773 -12.1667 -12.1585 -11.5776 -11.5759 -10.8162 -10.8130 -10.5195 -10.5144 -3.4057 -3.3954 -0.9233 -0.9219 -0.5304 -0.5165 0.2924 0.3273 0.8538 0.8717 1.5346 1.5582 1.9420 1.9624 2.4404 2.4681 2.6639 2.7030 3.4354 3.4680 3.6798 3.6946 4.3573 4.3912 4.7336 4.7700 5.0945 5.1083 5.3474 5.3900 6.0097 6.0208 6.2128 6.2455 6.5832 6.5875 7.0131 7.0213 9.7938 9.9359 12.1064 12.1804 13.5909 13.8468 14.6683 14.9429 15.2632 15.4261 k = 0.0000-0.4185-0.0967 ( 3266 PWs) bands (ev): -13.3917 -13.3874 -12.4683 -12.4607 -12.1542 -12.1448 -11.5754 -11.5734 -10.8135 -10.8101 -10.5118 -10.5063 -3.3814 -3.3699 -0.9430 -0.9413 -0.5330 -0.5182 0.3006 0.3384 0.8670 0.8883 1.5243 1.5458 1.9272 1.9477 2.4031 2.4413 2.6534 2.7033 3.4251 3.4594 3.7128 3.7295 4.3674 4.4036 4.7213 4.7589 5.0893 5.0985 5.3530 5.3977 6.0107 6.0216 6.1786 6.2139 6.5909 6.5955 7.0346 7.0443 9.7852 9.9440 12.0816 12.1624 13.5630 13.8382 14.6703 14.9595 15.2647 15.4439 k = 0.0000-0.4065-0.0940 ( 3265 PWs) bands (ev): -13.4272 -13.4228 -12.4559 -12.4474 -12.1385 -12.1282 -11.5726 -11.5705 -10.8105 -10.8069 -10.5034 -10.4976 -3.3545 -3.3418 -0.9652 -0.9631 -0.5343 -0.5188 0.3093 0.3496 0.8805 0.9062 1.5142 1.5322 1.9108 1.9308 2.3581 2.4037 2.6546 2.7130 3.4116 3.4473 3.7488 3.7678 4.3752 4.4129 4.7124 4.7498 5.0762 5.0835 5.3618 5.4072 6.0137 6.0242 6.1443 6.1818 6.5981 6.6031 7.0559 7.0673 9.7773 9.9525 12.0553 12.1423 13.5353 13.8271 14.6747 14.9740 15.2670 15.4606 k = 0.0000-0.3946-0.0912 ( 3261 PWs) bands (ev): -13.4631 -13.4586 -12.4470 -12.4377 -12.1198 -12.1087 -11.5693 -11.5670 -10.8068 -10.8031 -10.4943 -10.4882 -3.3249 -3.3110 -0.9896 -0.9872 -0.5345 -0.5184 0.3184 0.3609 0.8939 0.9251 1.5045 1.5177 1.8930 1.9121 2.3082 2.3589 2.6642 2.7290 3.3964 3.4335 3.7862 3.8081 4.3798 4.4180 4.7076 4.7432 5.0543 5.0652 5.3727 5.4179 6.0185 6.0282 6.1111 6.1500 6.6046 6.6102 7.0765 7.0899 9.7703 9.9615 12.0279 12.1205 13.5080 13.8136 14.6808 14.9863 15.2700 15.4757 k = 0.0000-0.3826-0.0884 ( 3258 PWs) bands (ev): -13.4991 -13.4946 -12.4412 -12.4314 -12.0986 -12.0871 -11.5652 -11.5627 -10.8027 -10.7989 -10.4846 -10.4782 -3.2927 -3.2778 -1.0162 -1.0132 -0.5333 -0.5167 0.3276 0.3718 0.9068 0.9448 1.4950 1.5030 1.8741 1.8918 2.2556 2.3103 2.6792 2.7495 3.3809 3.4188 3.8238 3.8493 4.3806 4.4185 4.7073 4.7392 5.0260 5.0427 5.3846 5.4287 6.0235 6.0326 6.0821 6.1191 6.6104 6.6166 7.0963 7.1118 9.7645 9.9710 11.9996 12.0973 13.4813 13.7983 14.6881 14.9963 15.2735 15.4890 k = 0.0000-0.3707-0.0857 ( 3260 PWs) bands (ev): -13.5350 -13.5305 -12.4384 -12.4282 -12.0758 -12.0640 -11.5601 -11.5575 -10.7980 -10.7941 -10.4743 -10.4678 -3.2581 -3.2422 -1.0445 -1.0411 -0.5308 -0.5139 0.3368 0.3823 0.9187 0.9649 1.4835 1.4905 1.8544 1.8701 2.2016 2.2599 2.6977 2.7728 3.3658 3.4042 3.8609 3.8908 4.3772 4.4146 4.7112 4.7377 4.9934 5.0160 5.3960 5.4385 6.0175 6.0373 6.0676 6.0913 6.6152 6.6224 7.1152 7.1328 9.7599 9.9813 11.9707 12.0728 13.4552 13.7815 14.6961 15.0041 15.2775 15.5003 k = 0.0000-0.3587-0.0829 ( 3260 PWs) bands (ev): -13.5706 -13.5661 -12.4379 -12.4276 -12.0521 -12.0403 -11.5538 -11.5512 -10.7928 -10.7888 -10.4636 -10.4568 -3.2212 -3.2043 -1.0743 -1.0705 -0.5272 -0.5098 0.3458 0.3922 0.9291 0.9851 1.4684 1.4826 1.8340 1.8476 2.1475 2.2095 2.7181 2.7981 3.3518 3.3901 3.8970 3.9320 4.3697 4.4069 4.7183 4.7383 4.9579 4.9858 5.4056 5.4463 5.9940 6.0367 6.0705 6.0766 6.6192 6.6274 7.1330 7.1526 9.7569 9.9924 11.9414 12.0474 13.4299 13.7635 14.7043 15.0096 15.2817 15.5094 k = 0.0000-0.3468-0.0801 ( 3264 PWs) bands (ev): -13.6058 -13.6014 -12.4395 -12.4290 -12.0284 -12.0169 -11.5462 -11.5436 -10.7870 -10.7830 -10.4524 -10.4456 -3.1820 -3.1643 -1.1053 -1.1011 -0.5224 -0.5047 0.3543 0.4011 0.9374 1.0048 1.4524 1.4766 1.8134 1.8245 2.0940 2.1599 2.7394 2.8243 3.3397 3.3772 3.9314 3.9724 4.3589 4.3963 4.7272 4.7399 4.9214 4.9531 5.4123 5.4509 5.9662 6.0187 6.0790 6.0868 6.6223 6.6316 7.1496 7.1712 9.7556 10.0044 11.9120 12.0214 13.4055 13.7445 14.7123 15.0128 15.2861 15.5164 k = 0.0000-0.3348-0.0774 ( 3259 PWs) bands (ev): -13.6404 -13.6360 -12.4426 -12.4321 -12.0054 -11.9943 -11.5368 -11.5344 -10.7806 -10.7767 -10.4409 -10.4339 -3.1407 -3.1221 -1.1373 -1.1326 -0.5165 -0.4986 0.3622 0.4090 0.9431 1.0232 1.4365 1.4717 1.7929 1.8016 2.0420 2.1120 2.7607 2.8508 3.3298 3.3660 3.9634 4.0115 4.3458 4.3837 4.7343 4.7423 4.8862 4.9192 5.4152 5.4515 5.9391 5.9955 6.0951 6.1034 6.6244 6.6351 7.1649 7.1884 9.7562 10.0173 11.8829 11.9952 13.3821 13.7249 14.7196 15.0138 15.2908 15.5213 k = 0.0000-0.3228-0.0746 ( 3258 PWs) bands (ev): -13.6744 -13.6701 -12.4469 -12.4365 -11.9840 -11.9735 -11.5257 -11.5234 -10.7736 -10.7698 -10.4291 -10.4221 -3.0975 -3.0781 -1.1699 -1.1649 -0.5096 -0.4916 0.3692 0.4156 0.9459 1.0397 1.4213 1.4673 1.7728 1.7794 1.9923 2.0667 2.7813 2.8767 3.3229 3.3570 3.9922 4.0485 4.3318 4.3698 4.7309 4.7477 4.8565 4.8863 5.4134 5.4475 5.9141 5.9730 6.1149 6.1230 6.6257 6.6377 7.1790 7.2040 9.7587 10.0313 11.8541 11.9688 13.3597 13.7048 14.7259 15.0125 15.2955 15.5243 k = 0.0000-0.3109-0.0718 ( 3261 PWs) bands (ev): -13.7076 -13.7034 -12.4521 -12.4419 -11.9646 -11.9547 -11.5125 -11.5105 -10.7661 -10.7624 -10.4170 -10.4100 -3.0524 -3.0323 -1.2030 -1.1976 -0.5019 -0.4836 0.3753 0.4207 0.9454 1.0533 1.4069 1.4625 1.7540 1.7585 1.9462 2.0246 2.8004 2.9013 3.3194 3.3507 4.0166 4.0826 4.3183 4.3556 4.7150 4.7494 4.8373 4.8588 5.4064 5.4385 5.8918 5.9525 6.1372 6.1449 6.6263 6.6397 7.1918 7.2182 9.7633 10.0462 11.8261 11.9428 13.3384 13.6843 14.7309 15.0089 15.3004 15.5255 k = 0.0000-0.2989-0.0691 ( 3261 PWs) bands (ev): -13.7400 -13.7359 -12.4580 -12.4479 -11.9476 -11.9384 -11.4972 -11.4956 -10.7581 -10.7544 -10.4048 -10.3978 -3.0056 -2.9849 -1.2362 -1.2305 -0.4934 -0.4750 0.3801 0.4241 0.9416 1.0631 1.3935 1.4561 1.7365 1.7399 1.9048 1.9864 2.8174 2.9238 3.3196 3.3479 4.0354 4.1125 4.3070 4.3419 4.6874 4.7390 4.8296 4.8435 5.3942 5.4244 5.8722 5.9343 6.1615 6.1686 6.6262 6.6410 7.2033 7.2308 9.7700 10.0620 11.7991 11.9172 13.3183 13.6637 14.7341 15.0029 15.3053 15.5250 k = 0.0000-0.2870-0.0663 ( 3261 PWs) bands (ev): -13.7715 -13.7676 -12.4644 -12.4545 -11.9332 -11.9248 -11.4799 -11.4787 -10.7495 -10.7460 -10.3924 -10.3856 -2.9573 -2.9360 -1.2694 -1.2634 -0.4841 -0.4657 0.3836 0.4256 0.9345 1.0682 1.3810 1.4466 1.7182 1.7265 1.8699 1.9528 2.8319 2.9434 3.3236 3.3489 4.0472 4.1363 4.2992 4.3302 4.6532 4.7148 4.8299 4.8420 5.3769 5.4057 5.8548 5.9181 6.1873 6.1937 6.6257 6.6419 7.2135 7.2418 9.7789 10.0787 11.7734 11.8924 13.2994 13.6430 14.7355 14.9946 15.3103 15.5228 k = 0.0000-0.2750-0.0636 ( 3266 PWs) bands (ev): -13.8021 -13.7982 -12.4711 -12.4614 -11.9214 -11.9139 -11.4609 -11.4600 -10.7405 -10.7370 -10.3801 -10.3733 -2.9077 -2.8859 -1.3023 -1.2960 -0.4743 -0.4558 0.3854 0.4251 0.9242 1.0684 1.3688 1.4329 1.6990 1.7181 1.8434 1.9250 2.8437 2.9597 3.3315 3.3543 4.0513 4.1520 4.2953 4.3217 4.6177 4.6829 4.8348 4.8481 5.3551 5.3829 5.8392 5.9033 6.2140 6.2200 6.6249 6.6425 7.2226 7.2514 9.7900 10.0962 11.7492 11.8685 13.2817 13.6223 14.7346 14.9838 15.3152 15.5190 k = 0.0000-0.2631-0.0608 ( 3266 PWs) bands (ev): -13.8316 -13.8279 -12.4780 -12.4686 -11.9123 -11.9056 -11.4404 -11.4396 -10.7309 -10.7277 -10.3677 -10.3610 -2.8569 -2.8347 -1.3347 -1.3282 -0.4640 -0.4454 0.3854 0.4223 0.9112 1.0636 1.3560 1.4146 1.6792 1.7132 1.8269 1.9045 2.8526 2.9723 3.3429 3.3643 4.0479 4.1581 4.2941 4.3170 4.5847 4.6491 4.8417 4.8575 5.3296 5.3569 5.8246 5.8895 6.2411 6.2468 6.6242 6.6431 7.2305 7.2595 9.8033 10.1142 11.7267 11.8459 13.2654 13.6018 14.7314 14.9707 15.3202 15.5136 k = 0.0000-0.2511-0.0580 ( 3269 PWs) bands (ev): -13.8601 -13.8565 -12.4850 -12.4758 -11.9055 -11.8997 -11.4188 -11.4179 -10.7210 -10.7178 -10.3554 -10.3489 -2.8052 -2.7826 -1.3665 -1.3597 -0.4533 -0.4347 0.3835 0.4171 0.8958 1.0542 1.3415 1.3919 1.6588 1.7096 1.8210 1.8933 2.8589 2.9811 3.3571 3.3787 4.0383 4.1547 4.2925 4.3149 4.5575 4.6165 4.8496 4.8683 5.3011 5.3284 5.8102 5.8761 6.2680 6.2736 6.6239 6.6441 7.2373 7.2662 9.8186 10.1327 11.7062 11.8246 13.2505 13.5816 14.7257 14.9552 15.3250 15.5066 k = 0.0000-0.2391-0.0553 ( 3267 PWs) bands (ev): -13.8875 -13.8840 -12.4920 -12.4831 -11.9009 -11.8958 -11.3965 -11.3952 -10.7106 -10.7076 -10.3433 -10.3370 -2.7528 -2.7299 -1.3974 -1.3903 -0.4423 -0.4237 0.3793 0.4095 0.8788 1.0411 1.3248 1.3658 1.6385 1.7045 1.8251 1.8930 2.8628 2.9865 3.3738 3.3969 4.0242 4.1439 4.2865 4.3128 4.5388 4.5872 4.8581 4.8797 5.2706 5.2982 5.7956 5.8624 6.2941 6.3000 6.6245 6.6458 7.2431 7.2717 9.8358 10.1513 11.6879 11.8049 13.2370 13.5616 14.7175 14.9374 15.3296 15.4978 k = 0.0000-0.2272-0.0525 ( 3270 PWs) bands (ev): -13.9138 -13.9104 -12.4989 -12.4903 -11.8982 -11.8937 -11.3737 -11.3721 -10.6999 -10.6971 -10.3314 -10.3253 -2.6999 -2.6769 -1.4272 -1.4200 -0.4310 -0.4126 0.3728 0.3994 0.8605 1.0251 1.3057 1.3374 1.6191 1.6962 1.8384 1.9038 2.8649 2.9890 3.3923 3.4180 4.0073 4.1277 4.2734 4.3082 4.5292 4.5630 4.8670 4.8916 5.2390 5.2670 5.7801 5.8479 6.3188 6.3251 6.6262 6.6486 7.2479 7.2760 9.8548 10.1699 11.6719 11.7869 13.2249 13.5419 14.7066 14.9173 15.3337 15.4873 k = 0.0000-0.2152-0.0497 ( 3269 PWs) bands (ev): -13.9389 -13.9357 -12.5057 -12.4974 -11.8970 -11.8931 -11.3507 -11.3489 -10.6888 -10.6862 -10.3198 -10.3138 -2.6468 -2.6237 -1.4559 -1.4484 -0.4196 -0.4013 0.3638 0.3867 0.8416 1.0069 1.2846 1.3078 1.6010 1.6846 1.8597 1.9237 2.8654 2.9889 3.4121 3.4410 3.9890 4.1076 4.2538 4.2989 4.5265 4.5455 4.8765 4.9038 5.2071 5.2356 5.7634 5.8324 6.3415 6.3484 6.6297 6.6530 7.2519 7.2793 9.8753 10.1882 11.6585 11.7707 13.2142 13.5227 14.6932 14.8951 15.3372 15.4750 k = 0.0000-0.2033-0.0470 ( 3274 PWs) bands (ev): -13.9627 -13.9597 -12.5123 -12.5043 -11.8971 -11.8937 -11.3280 -11.3260 -10.6776 -10.6751 -10.3084 -10.3027 -2.5938 -2.5708 -1.4831 -1.4754 -0.4081 -0.3900 0.3521 0.3715 0.8227 0.9871 1.2620 1.2782 1.5844 1.6709 1.8875 1.9507 2.8649 2.9870 3.4323 3.4649 3.9702 4.0845 4.2304 4.2844 4.5250 4.5368 4.8867 4.9164 5.1757 5.2046 5.7454 5.8154 6.3618 6.3692 6.6354 6.6592 7.2552 7.2817 9.8973 10.2059 11.6476 11.7564 13.2051 13.5040 14.6773 14.8708 15.3398 15.4612 k = 0.0000-0.1913-0.0442 ( 3274 PWs) bands (ev): -13.9854 -13.9825 -12.5186 -12.5110 -11.8983 -11.8954 -11.3057 -11.3035 -10.6662 -10.6639 -10.2975 -10.2920 -2.5412 -2.5183 -1.5088 -1.5009 -0.3967 -0.3788 0.3379 0.3541 0.8042 0.9662 1.2381 1.2500 1.5691 1.6559 1.9206 1.9826 2.8637 2.9836 3.4523 3.4889 3.9519 4.0590 4.2059 4.2653 4.5200 4.5373 4.8975 4.9296 5.1455 5.1746 5.7259 5.7969 6.3794 6.3870 6.6436 6.6676 7.2577 7.2832 9.9204 10.2228 11.6394 11.7440 13.1975 13.4857 14.6592 14.8446 15.3411 15.4461 k = 0.0000-0.1794-0.0414 ( 3273 PWs) bands (ev): -14.0067 -14.0040 -12.5246 -12.5174 -11.9003 -11.8977 -11.2842 -11.2819 -10.6546 -10.6525 -10.2869 -10.2817 -2.4894 -2.4667 -1.5327 -1.5247 -0.3854 -0.3678 0.3211 0.3345 0.7863 0.9444 1.2128 1.2249 1.5550 1.6406 1.9575 2.0181 2.8622 2.9792 3.4712 3.5123 3.9345 4.0317 4.1822 4.2433 4.5151 4.5394 4.9089 4.9433 5.1174 5.1464 5.7049 5.7767 6.3940 6.4016 6.6542 6.6781 7.2597 7.2840 9.9443 10.2386 11.6338 11.7337 13.1914 13.4680 14.6390 14.8166 15.3409 15.4301 k = 0.0000-0.1674-0.0387 ( 3267 PWs) bands (ev): -14.0268 -14.0243 -12.5304 -12.5235 -11.9029 -11.9007 -11.2635 -11.2612 -10.6431 -10.6411 -10.2769 -10.2719 -2.4387 -2.4164 -1.5547 -1.5465 -0.3743 -0.3571 0.3020 0.3130 0.7694 0.9219 1.1873 1.2030 1.5418 1.6251 1.9974 2.0560 2.8605 2.9739 3.4884 3.5342 3.9187 4.0034 4.1604 4.2201 4.5104 4.5397 4.9204 4.9574 5.0921 5.1206 5.6825 5.7548 6.4057 6.4130 6.6672 6.6905 7.2612 7.2843 9.9689 10.2531 11.6308 11.7253 13.1868 13.4508 14.6171 14.7871 15.3387 15.4136 k = 0.0000-0.1554-0.0359 ( 3270 PWs) bands (ev): -14.0456 -14.0432 -12.5358 -12.5293 -11.9060 -11.9040 -11.2440 -11.2416 -10.6317 -10.6299 -10.2673 -10.2626 -2.3897 -2.3679 -1.5745 -1.5662 -0.3636 -0.3467 0.2809 0.2900 0.7535 0.8989 1.1631 1.1836 1.5295 1.6098 2.0393 2.0954 2.8588 2.9681 3.5030 3.5542 3.9047 3.9752 4.1408 4.1969 4.5050 4.5372 4.9313 4.9716 5.0709 5.0981 5.6589 5.7313 6.4148 6.4215 6.6821 6.7045 7.2623 7.2841 9.9939 10.2661 11.6303 11.7188 13.1838 13.4342 14.5938 14.7562 15.3342 15.3974 k = 0.0000-0.1435-0.0332 ( 3274 PWs) bands (ev): -14.0631 -14.0609 -12.5408 -12.5348 -11.9094 -11.9076 -11.2256 -11.2233 -10.6205 -10.6188 -10.2583 -10.2539 -2.3427 -2.3215 -1.5921 -1.5836 -0.3532 -0.3367 0.2583 0.2659 0.7386 0.8753 1.1414 1.1666 1.5180 1.5946 2.0823 2.1356 2.8574 2.9618 3.5145 3.5715 3.8926 3.9486 4.1234 4.1748 4.4982 4.5316 4.9402 4.9843 5.0555 5.0802 5.6341 5.7064 6.4216 6.4277 6.6983 6.7195 7.2631 7.2835 10.0191 10.2773 11.6320 11.7141 13.1823 13.4182 14.5696 14.7242 15.3273 15.3818 k = 0.0000-0.1315-0.0304 ( 3278 PWs) bands (ev): -14.0792 -14.0771 -12.5455 -12.5399 -11.9129 -11.9113 -11.2086 -11.2063 -10.6095 -10.6080 -10.2498 -10.2458 -2.2982 -2.2777 -1.6071 -1.5987 -0.3433 -0.3273 0.2347 0.2412 0.7247 0.8514 1.1225 1.1520 1.5071 1.5798 2.1259 2.1760 2.8563 2.9552 3.5226 3.5855 3.8817 3.9252 4.1080 4.1547 4.4896 4.5229 4.9458 4.9922 5.0490 5.0686 5.6086 5.6804 6.4267 6.4321 6.7151 6.7350 7.2636 7.2825 10.0441 10.2868 11.6358 11.7111 13.1822 13.4027 14.5451 14.6915 15.3181 15.3673 k = 0.0000-0.1196-0.0276 ( 3277 PWs) bands (ev): -14.0939 -14.0921 -12.5498 -12.5446 -11.9164 -11.9150 -11.1929 -11.1908 -10.5991 -10.5977 -10.2420 -10.2383 -2.2566 -2.2371 -1.6194 -1.6111 -0.3339 -0.3184 0.2106 0.2164 0.7115 0.8273 1.1068 1.1397 1.4968 1.5652 2.1694 2.2160 2.8556 2.9484 3.5271 3.5954 3.8711 3.9073 4.0945 4.1369 4.4792 4.5117 4.9472 4.9920 5.0531 5.0657 5.5826 5.6533 6.4303 6.4350 6.7319 6.7503 7.2639 7.2814 10.0688 10.2943 11.6413 11.7095 13.1837 13.3878 14.5207 14.6585 15.3072 15.3536 k = 0.0000-0.1076-0.0249 ( 3276 PWs) bands (ev): -14.1073 -14.1056 -12.5536 -12.5489 -11.9199 -11.9186 -11.1787 -11.1767 -10.5891 -10.5879 -10.2349 -10.2315 -2.2185 -2.2002 -1.6289 -1.6208 -0.3252 -0.3104 0.1866 0.1919 0.6992 0.8034 1.0943 1.1296 1.4873 1.5509 2.2120 2.2548 2.8553 2.9414 3.5285 3.6004 3.8603 3.8958 4.0828 4.1216 4.4674 4.4984 4.9452 4.9860 5.0620 5.0736 5.5564 5.6257 6.4329 6.4370 6.7482 6.7651 7.2642 7.2801 10.0930 10.2999 11.6482 11.7092 13.1865 13.3734 14.4971 14.6254 15.2956 15.3405 k = 0.0000-0.0957-0.0221 ( 3279 PWs) bands (ev): -14.1193 -14.1178 -12.5571 -12.5529 -11.9232 -11.9221 -11.1659 -11.1641 -10.5798 -10.5788 -10.2284 -10.2253 -2.1843 -2.1674 -1.6356 -1.6279 -0.3172 -0.3031 0.1632 0.1683 0.6877 0.7799 1.0850 1.1214 1.4785 1.5370 2.2533 2.2920 2.8555 2.9343 3.5273 3.6003 3.8508 3.8892 4.0732 4.1088 4.4544 4.4836 4.9415 4.9783 5.0721 5.0891 5.5305 5.5977 6.4348 6.4382 6.7637 6.7789 7.2644 7.2787 10.1165 10.3034 11.6561 11.7098 13.1906 13.3594 14.4748 14.5929 15.2842 15.3276 k = 0.0000-0.0837-0.0193 ( 3283 PWs) bands (ev): -14.1299 -14.1286 -12.5601 -12.5564 -11.9263 -11.9253 -11.1546 -11.1530 -10.5713 -10.5704 -10.2226 -10.2199 -2.1543 -2.1390 -1.6395 -1.6324 -0.3099 -0.2967 0.1411 0.1461 0.6773 0.7574 1.0786 1.1149 1.4706 1.5236 2.2924 2.3269 2.8563 2.9271 3.5242 3.5952 3.8445 3.8853 4.0656 4.0982 4.4411 4.4681 4.9379 4.9707 5.0844 5.1069 5.5053 5.5698 6.4361 6.4390 6.7780 6.7914 7.2646 7.2773 10.1391 10.3049 11.6647 11.7111 13.1960 13.3458 14.4545 14.5614 15.2736 15.3150 k = 0.0000-0.0717-0.0166 ( 3281 PWs) bands (ev): -14.1391 -14.1380 -12.5627 -12.5595 -11.9291 -11.9282 -11.1448 -11.1434 -10.5637 -10.5629 -10.2175 -10.2152 -2.1287 -2.1152 -1.6410 -1.6346 -0.3034 -0.2914 0.1209 0.1258 0.6681 0.7362 1.0750 1.1096 1.4639 1.5108 2.3288 2.3589 2.8576 2.9199 3.5201 3.5860 3.8419 3.8824 4.0602 4.0896 4.4280 4.4525 4.9350 4.9639 5.0984 5.1248 5.4815 5.5424 6.4370 6.4395 6.7908 6.8025 7.2649 7.2759 10.1606 10.3044 11.6734 11.7127 13.2025 13.3327 14.4369 14.5313 15.2645 15.3027 k = 0.0000-0.0598-0.0138 ( 3281 PWs) bands (ev): -14.1469 -14.1459 -12.5649 -12.5622 -11.9316 -11.9308 -11.1365 -11.1353 -10.5570 -10.5564 -10.2131 -10.2112 -2.1074 -2.0960 -1.6404 -1.6349 -0.2977 -0.2871 0.1030 0.1077 0.6604 0.7167 1.0736 1.1052 1.4584 1.4987 2.3616 2.3871 2.8596 2.9127 3.5159 3.5740 3.8422 3.8796 4.0570 4.0826 4.4159 4.4374 4.9334 4.9580 5.1131 5.1416 5.4598 5.5159 6.4376 6.4397 6.8021 6.8119 7.2653 7.2745 10.1810 10.3020 11.6820 11.7143 13.2101 13.3198 14.4224 14.5033 15.2570 15.2909 k = 0.0000-0.0478-0.0111 ( 3281 PWs) bands (ev): -14.1532 -14.1525 -12.5666 -12.5644 -11.9336 -11.9330 -11.1297 -11.1287 -10.5514 -10.5509 -10.2095 -10.2079 -2.0904 -2.0811 -1.6384 -1.6339 -0.2929 -0.2839 0.0880 0.0921 0.6545 0.6992 1.0741 1.1013 1.4544 1.4876 2.3903 2.4110 2.8621 2.9055 3.5124 3.5608 3.8447 3.8766 4.0555 4.0768 4.4055 4.4235 4.9328 4.9531 5.1280 5.1565 5.4411 5.4908 6.4381 6.4398 6.8116 6.8196 7.2657 7.2731 10.2001 10.2976 11.6901 11.7156 13.2187 13.3072 14.4115 14.4778 15.2515 15.2800 k = 0.0000-0.0359-0.0083 ( 3283 PWs) bands (ev): -14.1582 -14.1576 -12.5678 -12.5662 -11.9352 -11.9348 -11.1244 -11.1237 -10.5470 -10.5466 -10.2066 -10.2054 -2.0774 -2.0704 -1.6358 -1.6323 -0.2888 -0.2817 0.0761 0.0796 0.6507 0.6840 1.0760 1.0977 1.4521 1.4776 2.4141 2.4298 2.8654 2.8985 3.5104 3.5477 3.8484 3.8733 4.0556 4.0721 4.3973 4.4114 4.9333 4.9488 5.1425 5.1682 5.4267 5.4679 6.4385 6.4397 6.8193 6.8253 7.2663 7.2719 10.2178 10.2914 11.6974 11.7163 13.2280 13.2949 14.4047 14.4554 15.2481 15.2703 k = 0.0000-0.0239-0.0055 ( 3286 PWs) bands (ev): -14.1617 -14.1613 -12.5687 -12.5676 -11.9363 -11.9360 -11.1206 -11.1201 -10.5438 -10.5435 -10.2045 -10.2037 -2.0681 -2.0634 -1.6331 -1.6308 -0.2855 -0.2807 0.0677 0.0701 0.6494 0.6715 1.0790 1.0940 1.4517 1.4690 2.4324 2.4430 2.8694 2.8917 3.5104 3.5357 3.8526 3.8697 4.0568 4.0681 4.3918 4.4016 4.9346 4.9451 5.1558 5.1756 5.4180 5.4478 6.4388 6.4396 6.8252 6.8292 7.2670 7.2707 10.2341 10.2833 11.7036 11.7162 13.2380 13.2829 14.4021 14.4364 15.2468 15.2619 k = 0.0000-0.0120-0.0028 ( 3283 PWs) bands (ev): -14.1637 -14.1635 -12.5691 -12.5685 -11.9370 -11.9369 -11.1182 -11.1180 -10.5418 -10.5416 -10.2032 -10.2028 -2.0622 -2.0598 -1.6310 -1.6298 -0.2831 -0.2806 0.0628 0.0641 0.6506 0.6617 1.0825 1.0902 1.4532 1.4619 2.4447 2.4501 2.8740 2.8853 3.5128 3.5256 3.8571 3.8657 4.0589 4.0646 4.3895 4.3944 4.9366 4.9419 5.1669 5.1778 5.4158 5.4316 6.4391 6.4395 6.8291 6.8311 7.2677 7.2696 10.2489 10.2735 11.7087 11.7149 13.2486 13.2711 14.4041 14.4214 15.2475 15.2553 k = 0.0000 0.0000 0.0000 ( 3281 PWs) bands (ev): -14.1644 -14.1644 -12.5690 -12.5690 -11.9372 -11.9372 -11.1174 -11.1174 -10.5411 -10.5411 -10.2026 -10.2026 -2.0594 -2.0594 -1.6299 -1.6299 -0.2814 -0.2814 0.0617 0.0617 0.6547 0.6547 1.0864 1.0864 1.4566 1.4566 2.4506 2.4506 2.8794 2.8794 3.5178 3.5178 3.8615 3.8615 4.0615 4.0615 4.3903 4.3903 4.9390 4.9390 5.1747 5.1747 5.4206 5.4206 6.4393 6.4393 6.8311 6.8311 7.2686 7.2686 10.2620 10.2620 11.7125 11.7125 13.2597 13.2597 14.4105 14.4105 15.2504 15.2504 k = 0.0000 0.0000 0.0000 ( 3281 PWs) bands (ev): -14.1644 -14.1644 -12.5690 -12.5690 -11.9372 -11.9372 -11.1174 -11.1174 -10.5411 -10.5411 -10.2026 -10.2026 -2.0594 -2.0594 -1.6299 -1.6299 -0.2814 -0.2814 0.0617 0.0617 0.6547 0.6547 1.0864 1.0864 1.4566 1.4566 2.4506 2.4506 2.8794 2.8794 3.5178 3.5178 3.8615 3.8615 4.0615 4.0615 4.3903 4.3903 4.9390 4.9390 5.1747 5.1747 5.4206 5.4206 6.4393 6.4393 6.8311 6.8311 7.2686 7.2686 10.2620 10.2620 11.7125 11.7125 13.2597 13.2597 14.4105 14.4105 15.2504 15.2504 k = 0.0111 0.0057 0.0006 ( 3281 PWs) bands (ev): -14.1637 -14.1636 -12.5689 -12.5685 -11.9374 -11.9370 -11.1181 -11.1178 -10.5416 -10.5414 -10.2026 -10.2024 -2.0637 -2.0622 -1.6295 -1.6284 -0.2842 -0.2820 0.0603 0.0636 0.6539 0.6565 1.0795 1.0919 1.4526 1.4632 2.4483 2.4547 2.8671 2.8814 3.5160 3.5217 3.8372 3.8846 4.0427 4.0889 4.3889 4.3971 4.9335 4.9466 5.1706 5.1784 5.4194 5.4237 6.4388 6.4408 6.8304 6.8312 7.2667 7.2683 10.2513 10.2738 11.7050 11.7206 13.2423 13.2749 14.4096 14.4182 15.2281 15.2738 k = 0.0222 0.0114 0.0011 ( 3281 PWs) bands (ev): -14.1617 -14.1614 -12.5680 -12.5672 -11.9378 -11.9370 -11.1200 -11.1195 -10.5430 -10.5427 -10.2024 -10.2022 -2.0749 -2.0719 -1.6274 -1.6252 -0.2903 -0.2859 0.0594 0.0661 0.6538 0.6591 1.0717 1.0959 1.4512 1.4720 2.4475 2.4605 2.8457 2.8735 3.5158 3.5250 3.8193 3.8995 4.0403 4.1171 4.3920 4.4110 4.9299 4.9559 5.1665 5.1819 5.4203 5.4286 6.4394 6.4433 6.8290 6.8306 7.2625 7.2656 10.2416 10.2865 11.6983 11.7295 13.2233 13.2879 14.4153 14.4324 15.2069 15.2983 k = 0.0333 0.0171 0.0017 ( 3279 PWs) bands (ev): -14.1582 -14.1577 -12.5664 -12.5652 -11.9382 -11.9371 -11.1231 -11.1224 -10.5452 -10.5448 -10.2022 -10.2017 -2.0925 -2.0882 -1.6238 -1.6207 -0.2991 -0.2929 0.0587 0.0686 0.6546 0.6627 1.0634 1.0987 1.4521 1.4827 2.4480 2.4678 2.8175 2.8570 3.5146 3.5234 3.8140 3.9063 4.0546 4.1403 4.4005 4.4348 4.9280 4.9663 5.1628 5.1854 5.4230 5.4350 6.4411 6.4468 6.8269 6.8293 7.2561 7.2608 10.2329 10.3003 11.6924 11.7390 13.2029 13.2984 14.4277 14.4527 15.1871 15.3237 k = 0.0444 0.0228 0.0023 ( 3280 PWs) bands (ev): -14.1533 -14.1527 -12.5642 -12.5625 -11.9388 -11.9373 -11.1274 -11.1264 -10.5483 -10.5477 -10.2018 -10.2012 -2.1161 -2.1106 -1.6192 -1.6153 -0.3103 -0.3025 0.0577 0.0707 0.6560 0.6671 1.0551 1.1005 1.4550 1.4947 2.4489 2.4762 2.7852 2.8345 3.5086 3.5136 3.8245 3.9141 4.0765 4.1552 4.4159 4.4701 4.9274 4.9771 5.1604 5.1895 5.4274 5.4427 6.4437 6.4513 6.8242 6.8275 7.2477 7.2537 10.2253 10.3149 11.6874 11.7493 13.1818 13.3066 14.4460 14.4784 15.1691 15.3501 k = 0.0556 0.0285 0.0029 ( 3276 PWs) bands (ev): -14.1470 -14.1462 -12.5612 -12.5592 -11.9395 -11.9376 -11.1328 -11.1315 -10.5522 -10.5515 -10.2012 -10.2006 -2.1451 -2.1385 -1.6140 -1.6094 -0.3232 -0.3142 0.0559 0.0720 0.6578 0.6724 1.0475 1.1018 1.4592 1.5074 2.4491 2.4848 2.7522 2.8087 3.4926 3.4987 3.8500 3.9295 4.0974 4.1617 4.4400 4.5162 4.9277 4.9870 5.1603 5.1947 5.4332 5.4514 6.4472 6.4566 6.8209 6.8251 7.2374 7.2446 10.2187 10.3305 11.6834 11.7603 13.1603 13.3126 14.4696 14.5087 15.1532 15.3776 k = 0.0667 0.0342 0.0034 ( 3278 PWs) bands (ev): -14.1393 -14.1384 -12.5576 -12.5552 -11.9403 -11.9381 -11.1394 -11.1378 -10.5569 -10.5561 -10.2006 -10.1999 -2.1789 -2.1713 -1.6087 -1.6035 -0.3374 -0.3275 0.0528 0.0719 0.6599 0.6783 1.0413 1.1032 1.4641 1.5203 2.4467 2.4924 2.7221 2.7829 3.4681 3.4798 3.8866 3.9535 4.1136 4.1616 4.4737 4.5706 4.9286 4.9952 5.1636 5.2015 5.4402 5.4607 6.4516 6.4626 6.8171 6.8223 7.2254 7.2336 10.2132 10.3468 11.6806 11.7723 13.1390 13.3168 14.4973 14.5428 15.1402 15.4061 k = 0.0778 0.0399 0.0040 ( 3275 PWs) bands (ev): -14.1302 -14.1291 -12.5534 -12.5506 -11.9412 -11.9387 -11.1470 -11.1452 -10.5624 -10.5614 -10.2000 -10.1991 -2.2170 -2.2085 -1.6036 -1.5979 -0.3524 -0.3418 0.0481 0.0700 0.6620 0.6848 1.0370 1.1053 1.4690 1.5328 2.4390 2.4964 2.6990 2.7609 3.4400 3.4563 3.9296 3.9835 4.1247 4.1586 4.5162 4.6304 4.9302 5.0007 5.1710 5.2104 5.4480 5.4704 6.4566 6.4692 6.8128 6.8191 7.2118 7.2209 10.2088 10.3640 11.6792 11.7852 13.1182 13.3195 14.5280 14.5792 15.1310 15.4357 k = 0.0889 0.0456 0.0046 ( 3276 PWs) bands (ev): -14.1197 -14.1185 -12.5485 -12.5454 -11.9423 -11.9395 -11.1557 -11.1536 -10.5686 -10.5675 -10.1993 -10.1983 -2.2589 -2.2496 -1.5989 -1.5928 -0.3678 -0.3568 0.0417 0.0663 0.6637 0.6915 1.0350 1.1085 1.4734 1.5444 2.4238 2.4937 2.6869 2.7466 3.4104 3.4298 3.9729 4.0167 4.1298 4.1600 4.5652 4.6930 4.9333 5.0038 5.1825 5.2216 5.4566 5.4805 6.4622 6.4761 6.8082 6.8157 7.1970 7.2066 10.2055 10.3819 11.6792 11.7992 13.0983 13.3212 14.5601 14.6167 15.1268 15.4663 k = 0.1000 0.0513 0.0052 ( 3273 PWs) bands (ev): -14.1079 -14.1065 -12.5431 -12.5397 -11.9435 -11.9405 -11.1653 -11.1630 -10.5755 -10.5743 -10.1985 -10.1975 -2.3042 -2.2941 -1.5949 -1.5884 -0.3834 -0.3722 0.0334 0.0607 0.6648 0.6981 1.0358 1.1132 1.4768 1.5547 2.4003 2.4818 2.6873 2.7434 3.3807 3.4021 4.0038 4.0559 4.1259 4.1771 4.6177 4.7554 4.9395 5.0053 5.1977 5.2352 5.4659 5.4908 6.4681 6.4832 6.8034 6.8122 7.1811 7.1910 10.2033 10.4004 11.6809 11.8144 13.0796 13.3223 14.5920 14.6536 15.1292 15.4979 k = 0.1111 0.0570 0.0057 ( 3279 PWs) bands (ev): -14.0946 -14.0931 -12.5372 -12.5335 -11.9450 -11.9416 -11.1759 -11.1733 -10.5831 -10.5818 -10.1978 -10.1967 -2.3525 -2.3417 -1.5916 -1.5848 -0.3991 -0.3876 0.0233 0.0531 0.6651 0.7042 1.0396 1.1198 1.4787 1.5632 2.3701 2.4607 2.6992 2.7519 3.3516 3.3744 4.0152 4.0949 4.1259 4.2088 4.6706 4.8134 4.9525 5.0068 5.2155 5.2511 5.4759 5.5015 6.4741 6.4899 6.7986 6.8089 7.1646 7.1745 10.2023 10.4194 11.6844 11.8309 13.0625 13.3232 14.6216 14.6884 15.1399 15.5300 k = 0.1222 0.0627 0.0063 ( 3280 PWs) bands (ev): -14.0801 -14.0784 -12.5308 -12.5268 -11.9466 -11.9430 -11.1874 -11.1845 -10.5912 -10.5898 -10.1971 -10.1959 -2.4035 -2.3921 -1.5891 -1.5820 -0.4146 -0.4029 0.0117 0.0438 0.6643 0.7096 1.0465 1.1283 1.4789 1.5698 2.3359 2.4325 2.7203 2.7708 3.3235 3.3475 4.0138 4.0940 4.1677 4.2490 4.7200 4.8617 4.9769 5.0117 5.2353 5.2692 5.4867 5.5126 6.4797 6.4960 6.7941 6.8062 7.1476 7.1572 10.2025 10.4389 11.6899 11.8489 13.0471 13.3244 14.6463 14.7207 15.1598 15.5621 k = 0.1333 0.0684 0.0069 ( 3274 PWs) bands (ev): -14.0642 -14.0623 -12.5240 -12.5198 -11.9483 -11.9446 -11.1997 -11.1965 -10.5999 -10.5985 -10.1964 -10.1952 -2.4567 -2.4448 -1.5873 -1.5801 -0.4300 -0.4181 -0.0013 0.0330 0.6624 0.7140 1.0564 1.1388 1.4770 1.5743 2.2999 2.4000 2.7485 2.7979 3.2967 3.3220 4.0060 4.0811 4.2208 4.2924 4.7623 4.8977 5.0056 5.0318 5.2565 5.2894 5.4988 5.5244 6.4846 6.5009 6.7903 6.8043 7.1305 7.1396 10.2041 10.4589 11.6974 11.8685 13.0337 13.3263 14.6639 14.7505 15.1891 15.5932 k = 0.1444 0.0741 0.0075 ( 3271 PWs) bands (ev): -14.0469 -14.0449 -12.5169 -12.5124 -11.9503 -11.9464 -11.2127 -11.2093 -10.6092 -10.6077 -10.1957 -10.1945 -2.5120 -2.4996 -1.5863 -1.5788 -0.4451 -0.4330 -0.0154 0.0209 0.6596 0.7173 1.0690 1.1511 1.4731 1.5766 2.2638 2.3654 2.7823 2.8311 3.2714 3.2982 3.9948 4.0669 4.2733 4.3351 4.7951 4.9259 5.0254 5.0772 5.2791 5.3116 5.5128 5.5376 6.4882 6.5042 6.7876 6.8038 7.1136 7.1220 10.2069 10.4792 11.7072 11.8897 13.0224 13.3291 14.6731 14.7784 15.2261 15.6224 k = 0.1556 0.0798 0.0080 ( 3272 PWs) bands (ev): -14.0284 -14.0263 -12.5095 -12.5049 -11.9525 -11.9485 -11.2264 -11.2228 -10.6189 -10.6174 -10.1952 -10.1939 -2.5690 -2.5562 -1.5860 -1.5783 -0.4601 -0.4476 -0.0303 0.0079 0.6558 0.7195 1.0838 1.1651 1.4669 1.5768 2.2288 2.3301 2.8207 2.8692 3.2478 3.2762 3.9820 4.0523 4.3226 4.3747 4.8203 4.9488 5.0513 5.1267 5.3037 5.3353 5.5295 5.5527 6.4901 6.5053 6.7863 6.8049 7.0971 7.1049 10.2112 10.4998 11.7193 11.9126 13.0134 13.3332 14.6744 14.8043 15.2674 15.6490 k = 0.1667 0.0855 0.0086 ( 3268 PWs) bands (ev): -14.0086 -14.0064 -12.5020 -12.4972 -11.9548 -11.9508 -11.2408 -11.2369 -10.6291 -10.6275 -10.1947 -10.1934 -2.6274 -2.6142 -1.5862 -1.5785 -0.4750 -0.4620 -0.0458 -0.0059 0.6513 0.7207 1.1004 1.1804 1.4586 1.5749 2.1955 2.2951 2.8628 2.9111 3.2260 3.2562 3.9685 4.0380 4.3667 4.4094 4.8418 4.9680 5.0846 5.1714 5.3312 5.3602 5.5500 5.5709 6.4898 6.5039 6.7868 6.8078 7.0813 7.0888 10.2169 10.5206 11.7338 11.9373 13.0068 13.3388 14.6691 14.8276 15.3087 15.6737 k = 0.1778 0.0912 0.0092 ( 3262 PWs) bands (ev): -13.9876 -13.9852 -12.4944 -12.4896 -11.9574 -11.9533 -11.2557 -11.2515 -10.6397 -10.6380 -10.1943 -10.1930 -2.6870 -2.6735 -1.5869 -1.5791 -0.4897 -0.4762 -0.0615 -0.0202 0.6463 0.7209 1.1181 1.1966 1.4483 1.5713 2.1644 2.2610 2.9079 2.9562 3.2063 3.2381 3.9550 4.0241 4.4039 4.4385 4.8636 4.9862 5.1206 5.2077 5.3619 5.3858 5.5756 5.5932 6.4868 6.4997 6.7893 6.8127 7.0662 7.0744 10.2243 10.5416 11.7506 11.9637 13.0028 13.3462 14.6589 14.8477 15.3453 15.6988 k = 0.1889 0.0969 0.0098 ( 3262 PWs) bands (ev): -13.9653 -13.9628 -12.4870 -12.4820 -11.9601 -11.9560 -11.2710 -11.2666 -10.6505 -10.6489 -10.1939 -10.1927 -2.7473 -2.7337 -1.5881 -1.5803 -0.5043 -0.4903 -0.0773 -0.0348 0.6410 0.7203 1.1362 1.2134 1.4364 1.5661 2.1358 2.2285 2.9553 3.0038 3.1890 3.2220 3.9416 4.0108 4.4321 4.4621 4.8874 5.0051 5.1555 5.2351 5.3940 5.4118 5.6070 5.6210 6.4810 6.4927 6.7939 6.8192 7.0523 7.0624 10.2332 10.5628 11.7699 11.9920 13.0013 13.3555 14.6450 14.8643 15.3726 15.7264 k = 0.2000 0.1026 0.0103 ( 3263 PWs) bands (ev): -13.9418 -13.9392 -12.4797 -12.4748 -11.9629 -11.9589 -11.2867 -11.2821 -10.6617 -10.6601 -10.1937 -10.1925 -2.8083 -2.7945 -1.5896 -1.5818 -0.5189 -0.5042 -0.0931 -0.0495 0.6356 0.7191 1.1542 1.2303 1.4232 1.5599 2.1099 2.1977 3.0038 3.0533 3.1748 3.2079 3.9287 3.9981 4.4504 4.4813 4.9135 5.0247 5.1875 5.2555 5.4249 5.4383 5.6439 5.6555 6.4724 6.4831 6.8002 6.8267 7.0401 7.0532 10.2437 10.5841 11.7915 12.0221 13.0024 13.3670 14.6283 14.8769 15.3880 15.7552 k = 0.2111 0.1083 0.0109 ( 3262 PWs) bands (ev): -13.9172 -13.9144 -12.4728 -12.4680 -11.9657 -11.9618 -11.3028 -11.2978 -10.6731 -10.6715 -10.1936 -10.1923 -2.8695 -2.8557 -1.5914 -1.5836 -0.5334 -0.5180 -0.1086 -0.0642 0.6303 0.7175 1.1712 1.2467 1.4096 1.5532 2.0866 2.1689 3.0510 3.1039 3.1660 3.1960 3.9164 3.9862 4.4600 4.4959 4.9410 5.0438 5.2163 5.2714 5.4521 5.4664 5.6843 5.6971 6.4613 6.4712 6.8076 6.8343 7.0305 7.0476 10.2560 10.6055 11.8154 12.0540 13.0062 13.3806 14.6098 14.8856 15.3920 15.7788 k = 0.2222 0.1140 0.0115 ( 3262 PWs) bands (ev): -13.8914 -13.8885 -12.4665 -12.4618 -11.9686 -11.9647 -11.3190 -11.3138 -10.6847 -10.6831 -10.1935 -10.1923 -2.9307 -2.9169 -1.5934 -1.5857 -0.5478 -0.5317 -0.1238 -0.0789 0.6252 0.7155 1.1863 1.2615 1.3965 1.5465 2.0659 2.1422 3.0888 3.1518 3.1717 3.1882 3.9046 3.9750 4.4631 4.5057 4.9677 5.0604 5.2426 5.2851 5.4763 5.4962 5.7275 5.7440 6.4483 6.4577 6.8151 6.8410 7.0243 7.0461 10.2699 10.6271 11.8416 12.0876 13.0128 13.3965 14.5899 14.8900 15.3865 15.7904 k = 0.2333 0.1197 0.0121 ( 3262 PWs) bands (ev): -13.8645 -13.8615 -12.4610 -12.4565 -11.9714 -11.9674 -11.3354 -11.3300 -10.6965 -10.6949 -10.1935 -10.1924 -2.9918 -2.9780 -1.5956 -1.5879 -0.5621 -0.5454 -0.1386 -0.0934 0.6205 0.7133 1.1988 1.2734 1.3860 1.5404 2.0478 2.1178 3.1036 3.1699 3.1998 3.2163 3.8933 3.9644 4.4618 4.5111 4.9916 5.0727 5.2665 5.2983 5.4997 5.5270 5.7727 5.7934 6.4340 6.4429 6.8218 6.8456 7.0225 7.0495 10.2856 10.6486 11.8699 12.1228 13.0219 13.4148 14.5690 14.8904 15.3739 15.7890 k = 0.2444 0.1254 0.0126 ( 3263 PWs) bands (ev): -13.8366 -13.8334 -12.4566 -12.4522 -11.9739 -11.9699 -11.3518 -11.3461 -10.7082 -10.7067 -10.1936 -10.1925 -3.0523 -3.0387 -1.5978 -1.5903 -0.5762 -0.5588 -0.1529 -0.1078 0.6164 0.7110 1.2078 1.2800 1.3806 1.5356 2.0319 2.0956 3.1030 3.1653 3.2467 3.2684 3.8826 3.9545 4.4575 4.5128 5.0106 5.0800 5.2877 5.3129 5.5238 5.5590 5.8188 5.8429 6.4192 6.4276 6.8267 6.8474 7.0258 7.0581 10.3028 10.6702 11.9001 12.1597 13.0337 13.4353 14.5476 14.8867 15.3562 15.7778 k = 0.2556 0.1311 0.0132 ( 3264 PWs) bands (ev): -13.8076 -13.8043 -12.4534 -12.4492 -11.9762 -11.9720 -11.3683 -11.3623 -10.7201 -10.7186 -10.1938 -10.1927 -3.1121 -3.0988 -1.6001 -1.5928 -0.5902 -0.5722 -0.1669 -0.1219 0.6129 0.7087 1.2127 1.2794 1.3827 1.5324 2.0184 2.0757 3.0990 3.1602 3.3000 3.3218 3.8723 3.9451 4.4514 4.5117 5.0235 5.0822 5.3055 5.3290 5.5496 5.5923 5.8644 5.8909 6.4048 6.4127 6.8292 6.8465 7.0344 7.0715 10.3216 10.6917 11.9323 12.1982 13.0480 13.4581 14.5258 14.8789 15.3351 15.7597 k = 0.2667 0.1368 0.0138 ( 3266 PWs) bands (ev): -13.7776 -13.7742 -12.4517 -12.4478 -11.9780 -11.9734 -11.3846 -11.3784 -10.7318 -10.7304 -10.1940 -10.1930 -3.1709 -3.1579 -1.6024 -1.5952 -0.6038 -0.5852 -0.1805 -0.1360 0.6100 0.7064 1.2130 1.2726 1.3915 1.5313 2.0068 2.0580 3.0950 3.1565 3.3551 3.3752 3.8623 3.9360 4.4444 4.5088 5.0301 5.0797 5.3205 5.3454 5.5777 5.6268 5.9081 5.9360 6.3920 6.3990 6.8293 6.8433 7.0482 7.0891 10.3418 10.7129 11.9663 12.2381 13.0647 13.4830 14.5040 14.8672 15.3117 15.7367 k = 0.2778 0.1425 0.0144 ( 3265 PWs) bands (ev): -13.7467 -13.7432 -12.4519 -12.4481 -11.9793 -11.9741 -11.4008 -11.3943 -10.7435 -10.7422 -10.1943 -10.1934 -3.2286 -3.2159 -1.6047 -1.5977 -0.6171 -0.5980 -0.1936 -0.1498 0.6079 0.7041 1.2087 1.2624 1.4047 1.5322 1.9973 2.0425 3.0920 3.1543 3.4105 3.4277 3.8524 3.9272 4.4375 4.5048 5.0308 5.0735 5.3334 5.3601 5.6079 5.6619 5.9485 5.9768 6.3820 6.3877 6.8272 6.8383 7.0663 7.1101 10.3634 10.7339 12.0020 12.2794 13.0837 13.5098 14.4824 14.8518 15.2870 15.7098 k = 0.2889 0.1482 0.0149 ( 3269 PWs) bands (ev): -13.7150 -13.7113 -12.4541 -12.4504 -11.9797 -11.9739 -11.4168 -11.4100 -10.7551 -10.7538 -10.1947 -10.1938 -3.2848 -3.2725 -1.6069 -1.6002 -0.6299 -0.6103 -0.2065 -0.1636 0.6066 0.7020 1.2005 1.2508 1.4199 1.5349 1.9895 2.0291 3.0905 3.1537 3.4652 3.4789 3.8425 3.9183 4.4312 4.5003 5.0269 5.0644 5.3443 5.3719 5.6393 5.6964 5.9846 6.0122 6.3761 6.3803 6.8238 6.8325 7.0877 7.1335 10.3861 10.7544 12.0394 12.3219 13.1046 13.5385 14.4610 14.8326 15.2615 15.6796 k = 0.3000 0.1539 0.0155 ( 3265 PWs) bands (ev): -13.6823 -13.6786 -12.4587 -12.4549 -11.9792 -11.9727 -11.4325 -11.4254 -10.7664 -10.7652 -10.1951 -10.1942 -3.3395 -3.3276 -1.6091 -1.6027 -0.6422 -0.6223 -0.2190 -0.1772 0.6059 0.6999 1.1894 1.2387 1.4358 1.5391 1.9833 2.0177 3.0905 3.1547 3.5185 3.5281 3.8324 3.9093 4.4263 4.4960 5.0194 5.0532 5.3532 5.3808 5.6707 5.7292 6.0152 6.0413 6.3755 6.3780 6.8197 6.8264 7.1117 7.1586 10.4098 10.7742 12.0783 12.3655 13.1274 13.5687 14.4400 14.8102 15.2359 15.6468 k = 0.3111 0.1596 0.0161 ( 3267 PWs) bands (ev): -13.6490 -13.6452 -12.4656 -12.4617 -11.9776 -11.9703 -11.4479 -11.4406 -10.7775 -10.7763 -10.1955 -10.1947 -3.3923 -3.3809 -1.6113 -1.6051 -0.6540 -0.6337 -0.2313 -0.1907 0.6060 0.6979 1.1767 1.2263 1.4518 1.5442 1.9787 2.0083 3.0922 3.1573 3.5698 3.5750 3.8219 3.8999 4.4234 4.4925 5.0096 5.0407 5.3600 5.3869 5.7004 5.7585 6.0403 6.0637 6.3802 6.3823 6.8154 6.8207 7.1374 7.1847 10.4343 10.7931 12.1188 12.4101 13.1516 13.6001 14.4196 14.7846 15.2106 15.6116 k = 0.3222 0.1653 0.0166 ( 3269 PWs) bands (ev): -13.6149 -13.6110 -12.4751 -12.4709 -11.9749 -11.9668 -11.4629 -11.4554 -10.7883 -10.7872 -10.1959 -10.1952 -3.4431 -3.4322 -1.6134 -1.6075 -0.6650 -0.6445 -0.2432 -0.2040 0.6068 0.6959 1.1634 1.2137 1.4673 1.5499 1.9754 2.0008 3.0956 3.1615 3.6169 3.6201 3.8107 3.8901 4.4230 4.4905 4.9984 5.0275 5.3647 5.3903 5.7268 5.7826 6.0608 6.0807 6.3897 6.3935 6.8116 6.8159 7.1641 7.2113 10.4595 10.8110 12.1608 12.4554 13.1769 13.6323 14.3997 14.7564 15.1861 15.5744 k = 0.3333 0.1710 0.0172 ( 3267 PWs) bands (ev): -13.5802 -13.5762 -12.4871 -12.4827 -11.9710 -11.9622 -11.4776 -11.4698 -10.7987 -10.7977 -10.1964 -10.1957 -3.4918 -3.4814 -1.6154 -1.6098 -0.6753 -0.6548 -0.2548 -0.2172 0.6081 0.6939 1.1503 1.2010 1.4821 1.5557 1.9734 1.9950 3.1006 3.1673 3.6571 3.6650 3.7987 3.8799 4.4257 4.4903 4.9869 5.0142 5.3673 5.3915 5.7480 5.7997 6.0785 6.0943 6.4034 6.4092 6.8089 6.8124 7.1914 7.2379 10.4851 10.8274 12.2043 12.5012 13.2031 13.6649 14.3804 14.7262 15.1625 15.5355 k = 0.3444 0.1767 0.0178 ( 3270 PWs) bands (ev): -13.5450 -13.5409 -12.5017 -12.4969 -11.9659 -11.9565 -11.4918 -11.4839 -10.8088 -10.8078 -10.1969 -10.1963 -3.5381 -3.5283 -1.6173 -1.6120 -0.6849 -0.6644 -0.2662 -0.2301 0.6100 0.6919 1.1378 1.1884 1.4960 1.5614 1.9724 1.9907 3.1074 3.1747 3.6916 3.7063 3.7861 3.8698 4.4317 4.4926 4.9757 5.0015 5.3680 5.3905 5.7627 5.8086 6.0955 6.1075 6.4197 6.4273 6.8078 6.8110 7.2188 7.2641 10.5109 10.8423 12.2492 12.5472 13.2299 13.6974 14.3615 14.6946 15.1400 15.4953 k = 0.3556 0.1824 0.0184 ( 3267 PWs) bands (ev): -13.5093 -13.5052 -12.5186 -12.5136 -11.9597 -11.9498 -11.5056 -11.4975 -10.8183 -10.8174 -10.1973 -10.1968 -3.5818 -3.5726 -1.6191 -1.6142 -0.6936 -0.6734 -0.2771 -0.2428 0.6123 0.6899 1.1264 1.1761 1.5089 1.5668 1.9723 1.9880 3.1158 3.1836 3.7188 3.7421 3.7742 3.8611 4.4409 4.4976 4.9657 4.9898 5.3668 5.3877 5.7699 5.8092 6.1132 6.1228 6.4367 6.4454 6.8088 6.8120 7.2458 7.2896 10.5369 10.8554 12.2954 12.5929 13.2568 13.7293 14.3431 14.6625 15.1189 15.4540 k = 0.3667 0.1881 0.0189 ( 3266 PWs) bands (ev): -13.4733 -13.4691 -12.5377 -12.5325 -11.9526 -11.9423 -11.5189 -11.5107 -10.8274 -10.8266 -10.1978 -10.1973 -3.6229 -3.6144 -1.6208 -1.6163 -0.7014 -0.6816 -0.2876 -0.2552 0.6150 0.6877 1.1160 1.1643 1.5207 1.5718 1.9730 1.9865 3.1258 3.1939 3.7325 3.7579 3.7805 3.8562 4.4532 4.5056 4.9575 4.9796 5.3638 5.3831 5.7698 5.8021 6.1318 6.1415 6.4522 6.4618 6.8125 6.8158 7.2721 7.3141 10.5627 10.8665 12.3429 12.6379 13.2836 13.7596 14.3249 14.6308 15.0992 15.4120 k = 0.3778 0.1938 0.0195 ( 3267 PWs) bands (ev): -13.4371 -13.4329 -12.5588 -12.5535 -11.9447 -11.9342 -11.5317 -11.5234 -10.8359 -10.8351 -10.1982 -10.1978 -3.6613 -3.6533 -1.6225 -1.6182 -0.7084 -0.6892 -0.2977 -0.2672 0.6180 0.6854 1.1069 1.1531 1.5315 1.5763 1.9742 1.9860 3.1374 3.2057 3.7251 3.7570 3.8057 3.8587 4.4681 4.5162 4.9515 4.9716 5.3592 5.3769 5.7631 5.7891 6.1519 6.1632 6.4651 6.4751 6.8191 6.8226 7.2975 7.3372 10.5883 10.8754 12.3913 12.6817 13.3103 13.7876 14.3073 14.6004 15.0810 15.3698 k = 0.3889 0.1995 0.0201 ( 3266 PWs) bands (ev): -13.4008 -13.3966 -12.5817 -12.5763 -11.9362 -11.9256 -11.5439 -11.5356 -10.8438 -10.8431 -10.1987 -10.1983 -3.6967 -3.6894 -1.6240 -1.6201 -0.7146 -0.6961 -0.3072 -0.2787 0.6211 0.6829 1.0992 1.1426 1.5413 1.5802 1.9759 1.9864 3.1505 3.2187 3.7078 3.7503 3.8282 3.8685 4.4848 4.5291 4.9486 4.9664 5.3530 5.3691 5.7512 5.7716 6.1734 6.1864 6.4743 6.4846 6.8285 6.8323 7.3217 7.3588 10.6136 10.8820 12.4405 12.7237 13.3367 13.8118 14.2906 14.5721 15.0643 15.3278 k = 0.4000 0.2052 0.0207 ( 3262 PWs) bands (ev): -13.3648 -13.3605 -12.6061 -12.6007 -11.9272 -11.9167 -11.5555 -11.5473 -10.8511 -10.8505 -10.1991 -10.1987 -3.7290 -3.7224 -1.6254 -1.6219 -0.7198 -0.7023 -0.3159 -0.2897 0.6243 0.6804 1.0927 1.1329 1.5501 1.5836 1.9780 1.9875 3.1651 3.2329 3.6874 3.7365 3.8475 3.8816 4.5026 4.5434 4.9489 4.9643 5.3452 5.3597 5.7356 5.7514 6.1960 6.2102 6.4796 6.4901 6.8403 6.8443 7.3444 7.3786 10.6384 10.8862 12.4901 12.7629 13.3629 13.8307 14.2757 14.5464 15.0494 15.2863 k = 0.4111 0.2109 0.0212 ( 3271 PWs) bands (ev): -13.3291 -13.3249 -12.6316 -12.6262 -11.9180 -11.9078 -11.5664 -11.5584 -10.8578 -10.8572 -10.1994 -10.1991 -3.7582 -3.7523 -1.6266 -1.6235 -0.7243 -0.7080 -0.3240 -0.3001 0.6277 0.6776 1.0874 1.1240 1.5579 1.5864 1.9802 1.9889 3.1810 3.2480 3.6653 3.7181 3.8640 3.8946 4.5204 4.5581 4.9530 4.9659 5.3358 5.3488 5.7178 5.7297 6.2190 6.2339 6.4811 6.4917 6.8540 6.8579 7.3654 7.3965 10.6625 10.8880 12.5397 12.7986 13.3891 13.8425 14.2643 14.5234 15.0363 15.2460 k = 0.4222 0.2166 0.0218 ( 3273 PWs) bands (ev): -13.2941 -13.2900 -12.6577 -12.6525 -11.9089 -11.8992 -11.5765 -11.5689 -10.8637 -10.8632 -10.1998 -10.1995 -3.7842 -3.7790 -1.6278 -1.6250 -0.7279 -0.7130 -0.3311 -0.3097 0.6310 0.6748 1.0834 1.1159 1.5647 1.5888 1.9827 1.9905 3.1981 3.2636 3.6425 3.6970 3.8782 3.9058 4.5376 4.5720 4.9610 4.9714 5.3248 5.3364 5.6990 5.7078 6.2420 6.2571 6.4793 6.4899 6.8685 6.8723 7.3846 7.4124 10.6860 10.8875 12.5887 12.8297 13.4158 13.8453 14.2582 14.5028 15.0251 15.2075 k = 0.4333 0.2223 0.0224 ( 3272 PWs) bands (ev): -13.2603 -13.2563 -12.6840 -12.6791 -11.9000 -11.8910 -11.5856 -11.5785 -10.8689 -10.8685 -10.2001 -10.1998 -3.8068 -3.8023 -1.6287 -1.6264 -0.7307 -0.7174 -0.3373 -0.3185 0.6343 0.6719 1.0804 1.1087 1.5708 1.5907 1.9851 1.9921 3.2161 3.2794 3.6199 3.6745 3.8903 3.9149 4.5533 4.5842 4.9728 4.9809 5.3124 5.3225 5.6803 5.6867 6.2646 6.2795 6.4746 6.4852 6.8831 6.8866 7.4018 7.4260 10.7088 10.8846 12.6367 12.8554 13.4435 13.8381 14.2589 14.4839 15.0162 15.1711 k = 0.4444 0.2280 0.0230 ( 3273 PWs) bands (ev): -13.2281 -13.2244 -12.7098 -12.7052 -11.8916 -11.8836 -11.5937 -11.5873 -10.8734 -10.8730 -10.2003 -10.2001 -3.8260 -3.8223 -1.6296 -1.6276 -0.7328 -0.7214 -0.3424 -0.3265 0.6376 0.6689 1.0785 1.1023 1.5760 1.5921 1.9875 1.9935 3.2349 3.2946 3.5982 3.6513 3.9007 3.9218 4.5672 4.5940 4.9877 4.9939 5.2986 5.3072 5.6628 5.6673 6.2863 6.3008 6.4676 6.4782 6.8968 6.8999 7.4170 7.4374 10.7306 10.8794 12.6828 12.8746 13.4727 13.8209 14.2666 14.4660 15.0098 15.1375 k = 0.4556 0.2337 0.0235 ( 3269 PWs) bands (ev): -13.1986 -13.1951 -12.7341 -12.7299 -11.8841 -11.8773 -11.6005 -11.5950 -10.8770 -10.8767 -10.2005 -10.2004 -3.8417 -3.8387 -1.6302 -1.6286 -0.7341 -0.7248 -0.3464 -0.3334 0.6408 0.6658 1.0775 1.0967 1.5805 1.5930 1.9898 1.9947 3.2540 3.3082 3.5789 3.6281 3.9093 3.9267 4.5790 4.6013 5.0048 5.0095 5.2839 5.2911 5.6472 5.6504 6.3069 6.3205 6.4590 6.4694 6.9090 6.9116 7.4299 7.4464 10.7515 10.8721 12.7263 12.8867 13.5039 13.7953 14.2804 14.4481 15.0061 15.1072 k = 0.4667 0.2394 0.0241 ( 3275 PWs) bands (ev): -13.1726 -13.1697 -12.7557 -12.7522 -11.8776 -11.8722 -11.6058 -11.6015 -10.8799 -10.8797 -10.2007 -10.2006 -3.8539 -3.8517 -1.6307 -1.6295 -0.7349 -0.7277 -0.3492 -0.3393 0.6440 0.6627 1.0773 1.0919 1.5842 1.5934 1.9917 1.9956 3.2729 3.3189 3.5635 3.6059 3.9165 3.9298 4.5887 4.6059 5.0227 5.0260 5.2692 5.2748 5.6344 5.6366 6.3260 6.3383 6.4495 6.4594 6.9192 6.9211 7.4405 7.4530 10.7714 10.8627 12.7665 12.8911 13.5374 13.7634 14.2989 14.4294 15.0055 15.0806 k = 0.4778 0.2451 0.0247 ( 3276 PWs) bands (ev): -13.1519 -13.1497 -12.7730 -12.7704 -11.8724 -11.8687 -11.6095 -11.6065 -10.8819 -10.8818 -10.2008 -10.2007 -3.8625 -3.8611 -1.6309 -1.6302 -0.7350 -0.7301 -0.3507 -0.3441 0.6472 0.6596 1.0780 1.0877 1.5873 1.5933 1.9934 1.9960 3.2907 3.3248 3.5539 3.5857 3.9222 3.9312 4.5964 4.6080 5.0390 5.0412 5.2561 5.2600 5.6250 5.6264 6.3429 6.3531 6.4404 6.4489 6.9268 6.9281 7.4487 7.4571 10.7901 10.8514 12.8024 12.8877 13.5730 13.7272 14.3202 14.4095 15.0082 15.0579 k = 0.4889 0.2508 0.0253 ( 3274 PWs) bands (ev): -13.1381 -13.1369 -12.7841 -12.7828 -11.8688 -11.8669 -11.6115 -11.6100 -10.8831 -10.8831 -10.2009 -10.2008 -3.8676 -3.8668 -1.6310 -1.6306 -0.7345 -0.7321 -0.3510 -0.3476 0.6503 0.6565 1.0794 1.0842 1.5897 1.5927 1.9947 1.9960 3.3064 3.3247 3.5516 3.5688 3.9266 3.9311 4.6021 4.6080 5.0510 5.0522 5.2469 5.2489 5.6193 5.6200 6.3563 6.3627 6.4340 6.4395 6.9316 6.9323 7.4545 7.4587 10.8076 10.8384 12.8333 12.8766 13.6106 13.6888 14.3430 14.3883 15.0146 15.0393 k = 0.5000 0.2565 0.0258 ( 3272 PWs) bands (ev): -13.1328 -13.1328 -12.7876 -12.7876 -11.8669 -11.8669 -11.6116 -11.6116 -10.8835 -10.8835 -10.2009 -10.2009 -3.8690 -3.8690 -1.6309 -1.6309 -0.7336 -0.7336 -0.3499 -0.3499 0.6534 0.6534 1.0815 1.0815 1.5915 1.5915 1.9956 1.9956 3.3182 3.3182 3.5569 3.5569 3.9295 3.9295 4.6060 4.6060 5.0559 5.0559 5.2441 5.2441 5.6176 5.6176 6.3639 6.3639 6.4335 6.4335 6.9335 6.9335 7.4579 7.4579 10.8238 10.8238 12.8583 12.8583 13.6495 13.6495 14.3660 14.3660 15.0249 15.0249 k = 0.5000-0.2697-0.0958 ( 3286 PWs) bands (ev): -13.1064 -13.1064 -12.4074 -12.4074 -12.0402 -12.0402 -11.5818 -11.5818 -11.0265 -11.0265 -10.6097 -10.6097 -3.2606 -3.2606 -1.8163 -1.8163 -0.8557 -0.8557 0.0980 0.0980 0.9486 0.9486 1.1862 1.1862 1.7153 1.7153 2.3199 2.3199 2.8542 2.8542 3.2875 3.2875 3.9707 3.9707 4.4527 4.4527 4.9397 4.9397 5.2863 5.2863 5.6789 5.6789 5.9910 5.9910 6.3001 6.3001 6.8057 6.8057 7.4081 7.4081 10.3389 10.3389 12.6550 12.6550 13.6822 13.6822 14.3995 14.3995 15.6114 15.6114 k = 0.4894-0.2639-0.0937 ( 3281 PWs) bands (ev): -13.1097 -13.1090 -12.4054 -12.4046 -12.0414 -12.0405 -11.5812 -11.5807 -11.0262 -11.0260 -10.6094 -10.6090 -3.2600 -3.2595 -1.8162 -1.8156 -0.8560 -0.8519 0.0964 0.1001 0.9380 0.9550 1.1754 1.1996 1.7037 1.7198 2.3148 2.3248 2.8512 2.8537 3.2925 3.2933 3.9671 3.9738 4.4482 4.4562 4.9362 4.9395 5.2855 5.2869 5.6781 5.6817 5.9910 5.9929 6.2972 6.2998 6.8051 6.8061 7.4059 7.4083 10.3305 10.3480 12.6369 12.6693 13.6642 13.6976 14.3664 14.4331 15.5912 15.6328 k = 0.4787-0.2582-0.0917 ( 3284 PWs) bands (ev): -13.1187 -13.1174 -12.3989 -12.3973 -12.0442 -12.0425 -11.5790 -11.5780 -11.0252 -11.0249 -10.6082 -10.6074 -3.2578 -3.2568 -1.8152 -1.8142 -0.8526 -0.8445 0.0954 0.1029 0.9240 0.9563 1.1681 1.2147 1.6855 1.7169 2.3100 2.3294 2.8452 2.8501 3.3078 3.3094 3.9631 3.9766 4.4426 4.4584 4.9292 4.9356 5.2845 5.2873 5.6794 5.6865 5.9929 5.9966 6.2911 6.2961 6.8043 6.8064 7.4017 7.4063 10.3227 10.3578 12.6150 12.6795 13.6441 13.7099 14.3346 14.4662 15.5725 15.6551 k = 0.4681-0.2524-0.0896 ( 3280 PWs) bands (ev): -13.1330 -13.1311 -12.3883 -12.3859 -12.0484 -12.0460 -11.5751 -11.5736 -11.0236 -11.0230 -10.6060 -10.6048 -3.2540 -3.2525 -1.8135 -1.8120 -0.8457 -0.8334 0.0951 0.1063 0.9073 0.9519 1.1648 1.2308 1.6613 1.7066 2.3060 2.3332 2.8371 2.8441 3.3318 3.3348 3.9589 3.9791 4.4360 4.4594 4.9191 4.9282 5.2834 5.2877 5.6825 5.6927 5.9965 6.0024 6.2821 6.2893 6.8034 6.8064 7.3954 7.4023 10.3157 10.3682 12.5899 12.6855 13.6221 13.7186 14.3051 14.4984 15.5558 15.6779 k = 0.4574-0.2467-0.0876 ( 3280 PWs) bands (ev): -13.1521 -13.1496 -12.3742 -12.3712 -12.0540 -12.0509 -11.5696 -11.5677 -11.0212 -11.0205 -10.6029 -10.6013 -3.2486 -3.2466 -1.8111 -1.8090 -0.8352 -0.8189 0.0952 0.1103 0.8886 0.9419 1.1657 1.2474 1.6320 1.6891 2.3030 2.3361 2.8278 2.8365 3.3628 3.3677 3.9546 3.9815 4.4284 4.4589 4.9062 4.9175 5.2821 5.2878 5.6871 5.6998 6.0017 6.0102 6.2707 6.2796 6.8022 6.8061 7.3871 7.3964 10.3094 10.3792 12.5616 12.6872 13.5984 13.7228 14.2789 14.5291 15.5414 15.7010 k = 0.4468-0.2410-0.0856 ( 3278 PWs) bands (ev): -13.1751 -13.1722 -12.3575 -12.3539 -12.0607 -12.0569 -11.5627 -11.5604 -11.0181 -11.0172 -10.5988 -10.5969 -3.2415 -3.2391 -1.8079 -1.8054 -0.8213 -0.8009 0.0959 0.1148 0.8681 0.9270 1.1701 1.2639 1.5984 1.6651 2.3013 2.3383 2.8179 2.8281 3.3989 3.4064 3.9503 3.9840 4.4200 4.4568 4.8912 4.9039 5.2805 5.2877 5.6926 5.7073 6.0082 6.0197 6.2574 6.2675 6.8006 6.8053 7.3771 7.3886 10.3037 10.3906 12.5305 12.6847 13.5730 13.7220 14.2571 14.5577 15.5297 15.7238 k = 0.4362-0.2352-0.0835 ( 3274 PWs) bands (ev): -13.2015 -13.1983 -12.3391 -12.3348 -12.0681 -12.0639 -11.5543 -11.5517 -11.0142 -11.0132 -10.5939 -10.5916 -3.2328 -3.2299 -1.8040 -1.8011 -0.8040 -0.7795 0.0971 0.1198 0.8461 0.9081 1.1771 1.2802 1.5614 1.6353 2.3007 2.3397 2.8081 2.8194 3.4384 3.4491 3.9465 3.9867 4.4108 4.4532 4.8745 4.8880 5.2786 5.2874 5.6986 5.7147 6.0156 6.0308 6.2429 6.2536 6.7986 6.8040 7.3653 7.3791 10.2986 10.4025 12.4968 12.6778 13.5460 13.7157 14.2403 14.5840 15.5208 15.7463 k = 0.4255-0.2295-0.0815 ( 3276 PWs) bands (ev): -13.2306 -13.2270 -12.3198 -12.3149 -12.0760 -12.0715 -11.5446 -11.5419 -11.0096 -11.0084 -10.5881 -10.5855 -3.2224 -3.2190 -1.7994 -1.7961 -0.7835 -0.7548 0.0986 0.1253 0.8230 0.8861 1.1859 1.2957 1.5223 1.6008 2.3012 2.3405 2.7986 2.8108 3.4796 3.4941 3.9433 3.9901 4.4009 4.4480 4.8565 4.8701 5.2764 5.2868 5.7045 5.7214 6.0230 6.0428 6.2284 6.2390 6.7959 6.8021 7.3521 7.3681 10.2941 10.4146 12.4609 12.6668 13.5173 13.7038 14.2291 14.6075 15.5150 15.7680 k = 0.4149-0.2238-0.0795 ( 3277 PWs) bands (ev): -13.2617 -13.2580 -12.3006 -12.2951 -12.0838 -12.0791 -11.5338 -11.5309 -11.0042 -11.0028 -10.5815 -10.5785 -3.2102 -3.2065 -1.7942 -1.7906 -0.7598 -0.7270 0.1005 0.1311 0.7989 0.8619 1.1958 1.3097 1.4825 1.5626 2.3026 2.3408 2.7895 2.8023 3.5209 3.5400 3.9412 3.9944 4.3905 4.4411 4.8376 4.8509 5.2739 5.2858 5.7099 5.7272 6.0293 6.0545 6.2150 6.2250 6.7926 6.7994 7.3376 7.3557 10.2900 10.4270 12.4231 12.6519 13.4871 13.6867 14.2234 14.6282 15.5123 15.7885 k = 0.4043-0.2180-0.0774 ( 3278 PWs) bands (ev): -13.2945 -13.2906 -12.2825 -12.2764 -12.0909 -12.0862 -11.5219 -11.5189 -10.9980 -10.9965 -10.5741 -10.5708 -3.1964 -3.1923 -1.7884 -1.7846 -0.7332 -0.6963 0.1026 0.1372 0.7741 0.8362 1.2059 1.3199 1.4451 1.5219 2.3046 2.3407 2.7807 2.7939 3.5609 3.5851 3.9407 3.9997 4.3799 4.4328 4.8181 4.8307 5.2710 5.2845 5.7143 5.7317 6.0330 6.0641 6.2044 6.2139 6.7886 6.7960 7.3221 7.3421 10.2864 10.4394 12.3836 12.6332 13.4554 13.6650 14.2227 14.6459 15.5126 15.8076 k = 0.3936-0.2123-0.0754 ( 3275 PWs) bands (ev): -13.3285 -13.3245 -12.2669 -12.2601 -12.0963 -12.0919 -11.5091 -11.5060 -10.9909 -10.9892 -10.5660 -10.5624 -3.1809 -3.1764 -1.7822 -1.7781 -0.7037 -0.6628 0.1049 0.1434 0.7487 0.8093 1.2152 1.3209 1.4168 1.4798 2.3069 2.3403 2.7721 2.7855 3.5984 3.6279 3.9425 4.0062 4.3696 4.4232 4.7979 4.8102 5.2676 5.2826 5.7176 5.7349 6.0327 6.0690 6.1988 6.2080 6.7837 6.7918 7.3059 7.3276 10.2832 10.4519 12.3427 12.6110 13.4224 13.6398 14.2264 14.6606 15.5158 15.8247 k = 0.3830-0.2065-0.0733 ( 3276 PWs) bands (ev): -13.3634 -13.3593 -12.2551 -12.2474 -12.0990 -12.0950 -11.4954 -11.4923 -10.9829 -10.9811 -10.5572 -10.5534 -3.1636 -3.1588 -1.7754 -1.7711 -0.6717 -0.6267 0.1072 0.1497 0.7229 0.7819 1.2216 1.3055 1.4066 1.4381 2.3093 2.3398 2.7635 2.7768 3.6324 3.6667 3.9470 4.0136 4.3600 4.4128 4.7770 4.7901 5.2638 5.2803 5.7194 5.7365 6.0276 6.0672 6.2000 6.2085 6.7778 6.7868 7.2892 7.3125 10.2802 10.4641 12.3006 12.5857 13.3885 13.6119 14.2335 14.6722 15.5215 15.8397 k = 0.3723-0.2008-0.0713 ( 3278 PWs) bands (ev): -13.3988 -13.3946 -12.2482 -12.2397 -12.0979 -12.0944 -11.4810 -11.4780 -10.9740 -10.9720 -10.5478 -10.5437 -3.1446 -3.1395 -1.7683 -1.7638 -0.6373 -0.5885 0.1093 0.1558 0.6970 0.7543 1.2194 1.2815 1.3960 1.4144 2.3115 2.3391 2.7548 2.7678 3.6622 3.7002 3.9547 4.0212 4.3517 4.4018 4.7554 4.7708 5.2595 5.2773 5.7195 5.7364 6.0186 6.0590 6.2078 6.2146 6.7709 6.7810 7.2725 7.2969 10.2774 10.4759 12.2577 12.5574 13.3540 13.5822 14.2433 14.6810 15.5292 15.8519 k = 0.3617-0.1951-0.0693 ( 3275 PWs) bands (ev): -13.4346 -13.4304 -12.2469 -12.2377 -12.0926 -12.0895 -11.4661 -11.4631 -10.9642 -10.9620 -10.5379 -10.5334 -3.1239 -3.1185 -1.7608 -1.7562 -0.6009 -0.5483 0.1112 0.1616 0.6713 0.7271 1.1992 1.2641 1.3632 1.4258 2.3132 2.3384 2.7457 2.7583 3.6875 3.7275 3.9654 4.0282 4.3454 4.3908 4.7335 4.7527 5.2546 5.2737 5.7175 5.7343 6.0075 6.0470 6.2200 6.2251 6.7630 6.7745 7.2559 7.2813 10.2748 10.4873 12.2142 12.5266 13.3195 13.5514 14.2551 14.6870 15.5384 15.8613 k = 0.3511-0.1893-0.0672 ( 3277 PWs) bands (ev): -13.4704 -13.4662 -12.2505 -12.2409 -12.0838 -12.0808 -11.4507 -11.4478 -10.9533 -10.9510 -10.5274 -10.5227 -3.1014 -3.0957 -1.7530 -1.7483 -0.5628 -0.5067 0.1127 0.1668 0.6460 0.7006 1.1650 1.2471 1.3430 1.4410 2.3142 2.3377 2.7361 2.7479 3.7084 3.7484 3.9779 4.0333 4.3411 4.3802 4.7119 4.7361 5.2492 5.2694 5.7131 5.7298 5.9963 6.0339 6.2338 6.2383 6.7540 6.7675 7.2400 7.2658 10.2722 10.4980 12.1704 12.4936 13.2855 13.5202 14.2682 14.6905 15.5483 15.8674 k = 0.3404-0.1836-0.0652 ( 3276 PWs) bands (ev): -13.5062 -13.5020 -12.2581 -12.2483 -12.0726 -12.0695 -11.4349 -11.4323 -10.9414 -10.9391 -10.5164 -10.5115 -3.0772 -3.0713 -1.7449 -1.7402 -0.5233 -0.4641 0.1134 0.1711 0.6216 0.6755 1.1268 1.2200 1.3393 1.4579 2.3142 2.3371 2.7258 2.7367 3.7255 3.7639 3.9905 4.0358 4.3386 4.3703 4.6915 4.7215 5.2431 5.2643 5.7060 5.7226 5.9864 6.0219 6.2476 6.2529 6.7441 6.7599 7.2249 7.2507 10.2695 10.5079 12.1265 12.4588 13.2524 13.4890 14.2823 14.6916 15.5583 15.8703 k = 0.3298-0.1779-0.0632 ( 3274 PWs) bands (ev): -13.5418 -13.5376 -12.2684 -12.2585 -12.0601 -12.0569 -11.4190 -11.4165 -10.9285 -10.9261 -10.5051 -10.5000 -3.0513 -3.0452 -1.7367 -1.7319 -0.4829 -0.4211 0.1133 0.1743 0.5984 0.6525 1.0885 1.1864 1.3458 1.4758 2.3132 2.3366 2.7148 2.7245 3.7393 3.7750 4.0006 4.0355 4.3366 4.3610 4.6733 4.7094 5.2364 5.2585 5.6960 5.7124 5.9792 6.0122 6.2607 6.2673 6.7333 6.7520 7.2110 7.2364 10.2668 10.5167 12.0829 12.4225 13.2207 13.4582 14.2968 14.6905 15.5675 15.8701 k = 0.3191-0.1721-0.0611 ( 3274 PWs) bands (ev): -13.5770 -13.5729 -12.2805 -12.2706 -12.0472 -12.0438 -11.4030 -11.4007 -10.9147 -10.9122 -10.4934 -10.4881 -3.0237 -3.0174 -1.7284 -1.7236 -0.4422 -0.3783 0.1120 0.1759 0.5771 0.6322 1.0518 1.1510 1.3573 1.4946 2.3110 2.3359 2.7029 2.7112 3.7504 3.7830 4.0055 4.0336 4.3330 4.3519 4.6585 4.7008 5.2290 5.2518 5.6829 5.6990 5.9752 6.0057 6.2727 6.2804 6.7221 6.7438 7.1985 7.2232 10.2640 10.5244 12.0398 12.3852 13.1908 13.4282 14.3114 14.6874 15.5751 15.8674 k = 0.3085-0.1664-0.0591 ( 3273 PWs) bands (ev): -13.6118 -13.6077 -12.2939 -12.2840 -12.0345 -12.0310 -11.3870 -11.3849 -10.8998 -10.8973 -10.4814 -10.4760 -2.9945 -2.9880 -1.7199 -1.7152 -0.4015 -0.3365 0.1091 0.1755 0.5582 0.6157 1.0174 1.1163 1.3713 1.5143 2.3076 2.3348 2.6901 2.6969 3.7593 3.7890 4.0032 4.0316 4.3257 4.3421 4.6483 4.6961 5.2210 5.2442 5.6669 5.6827 5.9742 6.0025 6.2831 6.2914 6.7106 6.7356 7.1876 7.2111 10.2611 10.5307 11.9977 12.3473 13.1631 13.3993 14.3257 14.6825 15.5803 15.8628 k = 0.2979-0.1606-0.0570 ( 3274 PWs) bands (ev): -13.6459 -13.6420 -12.3080 -12.2982 -12.0224 -12.0187 -11.3711 -11.3693 -10.8841 -10.8815 -10.4692 -10.4636 -2.9637 -2.9570 -1.7115 -1.7067 -0.3616 -0.2964 0.1045 0.1726 0.5424 0.6038 0.9860 1.0832 1.3869 1.5348 2.3030 2.3332 2.6762 2.6819 3.7665 3.7936 3.9946 4.0294 4.3137 4.3301 4.6435 4.6958 5.2123 5.2358 5.6483 5.6637 5.9756 6.0025 6.2919 6.3001 6.6994 6.7275 7.1785 7.2006 10.2579 10.5354 11.9567 12.3092 13.1379 13.3718 14.3396 14.6758 15.5821 15.8573 k = 0.2872-0.1549-0.0550 ( 3272 PWs) bands (ev): -13.6795 -13.6756 -12.3225 -12.3129 -12.0110 -12.0073 -11.3555 -11.3539 -10.8675 -10.8650 -10.4567 -10.4511 -2.9313 -2.9246 -1.7032 -1.6984 -0.3231 -0.2590 0.0980 0.1670 0.5306 0.5974 0.9578 1.0523 1.4037 1.5561 2.2973 2.3307 2.6607 2.6668 3.7723 3.7972 3.9822 4.0255 4.2970 4.3143 4.6439 4.6997 5.2031 5.2267 5.6275 5.6426 5.9784 6.0049 6.2989 6.3064 6.6889 6.7197 7.1712 7.1916 10.2547 10.5385 11.9173 12.2711 13.1153 13.3459 14.3528 14.6677 15.5801 15.8518 k = 0.2766-0.1492-0.0530 ( 3275 PWs) bands (ev): -13.7123 -13.7084 -12.3373 -12.3278 -12.0006 -11.9968 -11.3402 -11.3388 -10.8502 -10.8477 -10.4442 -10.4384 -2.8974 -2.8906 -1.6949 -1.6902 -0.2867 -0.2252 0.0893 0.1584 0.5232 0.5973 0.9330 1.0238 1.4215 1.5785 2.2901 2.3270 2.6440 2.6521 3.7767 3.8000 3.9679 4.0198 4.2763 4.2943 4.6488 4.7069 5.1933 5.2169 5.6050 5.6197 5.9812 6.0088 6.3045 6.3106 6.6795 6.7125 7.1657 7.1843 10.2512 10.5397 11.8797 12.2336 13.0955 13.3219 14.3651 14.6583 15.5738 15.8471 k = 0.2660-0.1434-0.0509 ( 3270 PWs) bands (ev): -13.7442 -13.7405 -12.3522 -12.3429 -11.9911 -11.9872 -11.3252 -11.3240 -10.8323 -10.8299 -10.4315 -10.4257 -2.8622 -2.8553 -1.6868 -1.6821 -0.2531 -0.1958 0.0788 0.1468 0.5207 0.6039 0.9118 0.9978 1.4404 1.6018 2.2815 2.3219 2.6265 2.6377 3.7799 3.8019 3.9524 4.0125 4.2523 4.2710 4.6566 4.7165 5.1830 5.2066 5.5811 5.5956 5.9824 6.0127 6.3089 6.3141 6.6715 6.7060 7.1620 7.1788 10.2477 10.5391 11.8444 12.1968 13.0786 13.2999 14.3762 14.6477 15.5631 15.8436 k = 0.2553-0.1377-0.0489 ( 3273 PWs) bands (ev): -13.7753 -13.7717 -12.3670 -12.3579 -11.9826 -11.9786 -11.3106 -11.3097 -10.8140 -10.8116 -10.4188 -10.4129 -2.8257 -2.8187 -1.6789 -1.6742 -0.2230 -0.1715 0.0669 0.1327 0.5232 0.6173 0.8942 0.9743 1.4602 1.6261 2.2711 2.3148 2.6090 2.6240 3.7818 3.8028 3.9365 4.0043 4.2262 4.2454 4.6659 4.7273 5.1724 5.1960 5.5563 5.5706 5.9803 6.0150 6.3122 6.3186 6.6652 6.7004 7.1599 7.1750 10.2440 10.5364 11.8115 12.1612 13.0646 13.2801 14.3860 14.6363 15.5486 15.8413 k = 0.2447-0.1320-0.0469 ( 3273 PWs) bands (ev): -13.8055 -13.8020 -12.3817 -12.3728 -11.9750 -11.9710 -11.2965 -11.2957 -10.7953 -10.7930 -10.4060 -10.4001 -2.7879 -2.7809 -1.6712 -1.6667 -0.1970 -0.1532 0.0544 0.1167 0.5304 0.6370 0.8800 0.9532 1.4812 1.6514 2.2588 2.3053 2.5925 2.6114 3.7820 3.8023 3.9205 3.9954 4.1991 4.2189 4.6752 4.7383 5.1615 5.1853 5.5306 5.5450 5.9737 6.0138 6.3154 6.3252 6.6605 6.6958 7.1593 7.1728 10.2403 10.5317 11.7814 12.1268 13.0535 13.2627 14.3943 14.6241 15.5307 15.8400 k = 0.2340-0.1262-0.0448 ( 3270 PWs) bands (ev): -13.8347 -13.8313 -12.3961 -12.3875 -11.9683 -11.9643 -11.2828 -11.2822 -10.7765 -10.7743 -10.3932 -10.3873 -2.7491 -2.7421 -1.6639 -1.6594 -0.1757 -0.1412 0.0425 0.0997 0.5418 0.6622 0.8693 0.9344 1.5033 1.6776 2.2443 2.2930 2.5777 2.6003 3.7805 3.7997 3.9050 3.9862 4.1722 4.1932 4.6833 4.7486 5.1505 5.1749 5.5044 5.5189 5.9615 6.0076 6.3204 6.3342 6.6575 6.6924 7.1602 7.1722 10.2366 10.5251 11.7542 12.0938 13.0453 13.2476 14.4011 14.6115 15.5103 15.8392 k = 0.2234-0.1205-0.0428 ( 3272 PWs) bands (ev): -13.8628 -13.8595 -12.4102 -12.4019 -11.9625 -11.9585 -11.2695 -11.2691 -10.7578 -10.7556 -10.3805 -10.3746 -2.7094 -2.7024 -1.6569 -1.6525 -0.1595 -0.1358 0.0322 0.0829 0.5564 0.6916 0.8620 0.9178 1.5266 1.7045 2.2278 2.2775 2.5656 2.5915 3.7767 3.7943 3.8902 3.9767 4.1466 4.1698 4.6893 4.7573 5.1398 5.1651 5.4778 5.4927 5.9432 5.9952 6.3280 6.3455 6.6560 6.6902 7.1623 7.1731 10.2330 10.5165 11.7300 12.0625 13.0400 13.2350 14.4062 14.5987 15.4880 15.8384 k = 0.2128-0.1147-0.0407 ( 3276 PWs) bands (ev): -13.8899 -13.8867 -12.4240 -12.4159 -11.9575 -11.9536 -11.2567 -11.2564 -10.7392 -10.7371 -10.3678 -10.3620 -2.6689 -2.6619 -1.6503 -1.6460 -0.1491 -0.1368 0.0243 0.0675 0.5733 0.7235 0.8579 0.9035 1.5512 1.7316 2.2094 2.2588 2.5569 2.5852 3.7703 3.7854 3.8767 3.9666 4.1235 4.1500 4.6924 4.7638 5.1295 5.1561 5.4509 5.4664 5.9190 5.9764 6.3383 6.3590 6.6561 6.6893 7.1655 7.1753 10.2296 10.5063 11.7089 12.0328 13.0374 13.2248 14.4095 14.5859 15.4644 15.8373 k = 0.2021-0.1090-0.0387 ( 3278 PWs) bands (ev): -13.9159 -13.9128 -12.4373 -12.4295 -11.9532 -11.9494 -11.2445 -11.2441 -10.7209 -10.7189 -10.3552 -10.3495 -2.6278 -2.6208 -1.6443 -1.6401 -0.1471 -0.1406 0.0191 0.0547 0.5911 0.7556 0.8574 0.8918 1.5769 1.7582 2.1899 2.2371 2.5520 2.5821 3.7609 3.7727 3.8646 3.9555 4.1040 4.1350 4.6920 4.7673 5.1201 5.1482 5.4238 5.4403 5.8894 5.9516 6.3507 6.3738 6.6577 6.6899 7.1695 7.1787 10.2264 10.4946 11.6910 12.0049 13.0375 13.2170 14.4111 14.5733 15.4402 15.8352 k = 0.1915-0.1033-0.0367 ( 3275 PWs) bands (ev): -13.9407 -13.9378 -12.4502 -12.4427 -11.9496 -11.9459 -11.2327 -11.2323 -10.7031 -10.7013 -10.3428 -10.3372 -2.5862 -2.5793 -1.6387 -1.6346 -0.1568 -0.1427 0.0159 0.0452 0.6088 0.7846 0.8610 0.8840 1.6033 1.7829 2.1708 2.2133 2.5513 2.5823 3.7481 3.7564 3.8538 3.9432 4.0892 4.1252 4.6877 4.7673 5.1119 5.1416 5.3966 5.4145 5.8552 5.9217 6.3643 6.3892 6.6609 6.6921 7.1744 7.1832 10.2235 10.4815 11.6761 11.9787 13.0401 13.2115 14.4110 14.5612 15.4156 15.8316 k = 0.1809-0.0975-0.0346 ( 3277 PWs) bands (ev): -13.9643 -13.9616 -12.4625 -12.4554 -11.9467 -11.9430 -11.2213 -11.2209 -10.6859 -10.6842 -10.3305 -10.3251 -2.5445 -2.5376 -1.6337 -1.6297 -0.1707 -0.1482 0.0144 0.0392 0.6251 0.8045 0.8699 0.8834 1.6296 1.8036 2.1543 2.1889 2.5546 2.5860 3.7308 3.7383 3.8441 3.9298 4.0797 4.1203 4.6792 4.7631 5.1051 5.1361 5.3694 5.3892 5.8175 5.8876 6.3780 6.4041 6.6658 6.6960 7.1799 7.1886 10.2209 10.4675 11.6641 11.9542 13.0452 13.2083 14.4094 14.5497 15.3911 15.8259 k = 0.1702-0.0918-0.0326 ( 3276 PWs) bands (ev): -13.9867 -13.9841 -12.4743 -12.4675 -11.9442 -11.9407 -11.2105 -11.2100 -10.6695 -10.6679 -10.3184 -10.3132 -2.5027 -2.4958 -1.6292 -1.6254 -0.1861 -0.1575 0.0140 0.0363 0.6390 0.8108 0.8795 0.8979 1.6546 1.8173 2.1434 2.1660 2.5619 2.5932 3.7091 3.7195 3.8351 3.9158 4.0754 4.1198 4.6666 4.7544 5.0998 5.1317 5.3425 5.3645 5.7772 5.8503 6.3910 6.4177 6.6724 6.7018 7.1859 7.1947 10.2188 10.4528 11.6548 11.9314 13.0525 13.2071 14.4065 14.5389 15.3667 15.8173 k = 0.1596-0.0861-0.0306 ( 3271 PWs) bands (ev): -14.0079 -14.0054 -12.4855 -12.4791 -11.9423 -11.9389 -11.2001 -11.1996 -10.6538 -10.6524 -10.3066 -10.3016 -2.4611 -2.4544 -1.6254 -1.6218 -0.2019 -0.1692 0.0147 0.0356 0.6500 0.8074 0.8899 0.9223 1.6763 1.8210 2.1390 2.1496 2.5729 2.6038 3.6849 3.6995 3.8266 3.9020 4.0753 4.1231 4.6500 4.7411 5.0957 5.1281 5.3159 5.3406 5.7352 5.8109 6.4027 6.4295 6.6809 6.7094 7.1922 7.2014 10.2172 10.4376 11.6480 11.9102 13.0618 13.2078 14.4025 14.5287 15.3428 15.8046 k = 0.1489-0.0803-0.0285 ( 3268 PWs) bands (ev): -14.0278 -14.0255 -12.4961 -12.4900 -11.9408 -11.9375 -11.1903 -11.1897 -10.6391 -10.6378 -10.2952 -10.2904 -2.4199 -2.4134 -1.6223 -1.6189 -0.2173 -0.1823 0.0164 0.0364 0.6579 0.7995 0.9031 0.9482 1.6918 1.8130 2.1314 2.1543 2.5875 2.6177 3.6595 3.6784 3.8186 3.8892 4.0787 4.1294 4.6295 4.7230 5.0925 5.1249 5.2901 5.3179 5.6925 5.7703 6.4126 6.4389 6.6912 6.7186 7.1989 7.2084 10.2162 10.4223 11.6435 11.8905 13.0729 13.2102 14.3980 14.5193 15.3196 15.7868 k = 0.1383-0.0746-0.0265 ( 3271 PWs) bands (ev): -14.0464 -14.0443 -12.5061 -12.5004 -11.9396 -11.9365 -11.1809 -11.1803 -10.6254 -10.6241 -10.2841 -10.2795 -2.3795 -2.3732 -1.6198 -1.6167 -0.2317 -0.1956 0.0188 0.0380 0.6628 0.7895 0.9186 0.9727 1.6985 1.7942 2.1292 2.1735 2.6055 2.6348 3.6341 3.6566 3.8109 3.8778 4.0845 4.1378 4.6056 4.7006 5.0891 5.1213 5.2654 5.2964 5.6500 5.7294 6.4205 6.4459 6.7029 6.7292 7.2058 7.2156 10.2157 10.4070 11.6411 11.8721 13.0856 13.2141 14.3931 14.5104 15.2972 15.7628 k = 0.1277-0.0688-0.0244 ( 3270 PWs) bands (ev): -14.0638 -14.0617 -12.5154 -12.5101 -11.9387 -11.9358 -11.1721 -11.1714 -10.6126 -10.6115 -10.2734 -10.2691 -2.3401 -2.3340 -1.6181 -1.6152 -0.2447 -0.2086 0.0218 0.0404 0.6650 0.7784 0.9354 0.9949 1.6945 1.7676 2.1379 2.2004 2.6265 2.6548 3.6094 3.6348 3.8038 3.8682 4.0918 4.1478 4.5788 4.6740 5.0846 5.1168 5.2428 5.2767 5.6088 5.6891 6.4266 6.4507 6.7158 6.7408 7.2127 7.2228 10.2158 10.3920 11.6405 11.8551 13.0997 13.2192 14.3883 14.5020 15.2760 15.7326 k = 0.1170-0.0631-0.0224 ( 3271 PWs) bands (ev): -14.0797 -14.0779 -12.5240 -12.5191 -11.9381 -11.9354 -11.1638 -11.1632 -10.6010 -10.6000 -10.2632 -10.2593 -2.3020 -2.2961 -1.6171 -1.6144 -0.2561 -0.2207 0.0252 0.0431 0.6652 0.7666 0.9527 1.0145 1.6803 1.7360 2.1573 2.2318 2.6502 2.6774 3.5861 3.6137 3.7973 3.8607 4.0997 4.1584 4.5498 4.6438 5.0775 5.1104 5.2230 5.2588 5.5698 5.6502 6.4310 6.4535 6.7294 6.7530 7.2196 7.2298 10.2165 10.3774 11.6416 11.8392 13.1147 13.2252 14.3840 14.4940 15.2561 15.6966 k = 0.1064-0.0574-0.0204 ( 3270 PWs) bands (ev): -14.0944 -14.0927 -12.5319 -12.5274 -11.9377 -11.9352 -11.1561 -11.1555 -10.5904 -10.5895 -10.2536 -10.2500 -2.2655 -2.2598 -1.6167 -1.6143 -0.2657 -0.2317 0.0291 0.0460 0.6638 0.7545 0.9701 1.0316 1.6580 1.7018 2.1851 2.2652 2.6762 2.7021 3.5646 3.5940 3.7916 3.8553 4.1073 4.1690 4.5195 4.6107 5.0668 5.1017 5.2070 5.2433 5.5339 5.6135 6.4340 6.4547 6.7432 6.7653 7.2264 7.2366 10.2179 10.3635 11.6440 11.8244 13.1305 13.2318 14.3805 14.4864 15.2380 15.6561 k = 0.0957-0.0516-0.0183 ( 3266 PWs) bands (ev): -14.1077 -14.1061 -12.5390 -12.5350 -11.9374 -11.9351 -11.1491 -11.1485 -10.5808 -10.5800 -10.2447 -10.2414 -2.2308 -2.2255 -1.6170 -1.6149 -0.2735 -0.2413 0.0331 0.0491 0.6613 0.7422 0.9870 1.0462 1.6305 1.6666 2.2183 2.2986 2.7039 2.7284 3.5458 3.5761 3.7871 3.8524 4.1133 4.1786 4.4892 4.5754 5.0519 5.0899 5.1952 5.2300 5.5022 5.5797 6.4359 6.4546 6.7569 6.7773 7.2329 7.2430 10.2198 10.3501 11.6476 11.8105 13.1468 13.2387 14.3780 14.4790 15.2220 15.6123 k = 0.0851-0.0459-0.0163 ( 3268 PWs) bands (ev): -14.1196 -14.1182 -12.5455 -12.5418 -11.9373 -11.9352 -11.1427 -11.1421 -10.5723 -10.5717 -10.2364 -10.2334 -2.1984 -2.1935 -1.6180 -1.6161 -0.2794 -0.2495 0.0372 0.0521 0.6581 0.7299 1.0032 1.0585 1.6003 1.6317 2.2542 2.3306 2.7324 2.7555 3.5299 3.5607 3.7839 3.8522 4.1162 4.1861 4.4606 4.5390 5.0336 5.0750 5.1870 5.2189 5.4752 5.5491 6.4370 6.4537 6.7700 6.7887 7.2391 7.2489 10.2224 10.3375 11.6523 11.7975 13.1631 13.2454 14.3767 14.4717 15.2087 15.5666 k = 0.0745-0.0402-0.0143 ( 3266 PWs) bands (ev): -14.1301 -14.1289 -12.5511 -12.5479 -11.9373 -11.9354 -11.1369 -11.1364 -10.5649 -10.5643 -10.2289 -10.2263 -2.1685 -2.1640 -1.6194 -1.6178 -0.2836 -0.2564 0.0414 0.0549 0.6548 0.7178 1.0184 1.0686 1.5699 1.5979 2.2904 2.3602 2.7608 2.7823 3.5177 3.5480 3.7825 3.8547 4.1142 4.1903 4.4355 4.5030 5.0134 5.0574 5.1815 5.2097 5.4535 5.5219 6.4374 6.4521 6.7823 6.7991 7.2449 7.2541 10.2255 10.3257 11.6579 11.7851 13.1792 13.2518 14.3766 14.4644 15.1984 15.5202 k = 0.0638-0.0344-0.0122 ( 3272 PWs) bands (ev): -14.1392 -14.1382 -12.5561 -12.5533 -11.9373 -11.9357 -11.1318 -11.1314 -10.5585 -10.5581 -10.2223 -10.2200 -2.1416 -2.1376 -1.6212 -1.6199 -0.2863 -0.2621 0.0454 0.0574 0.6518 0.7061 1.0324 1.0767 1.5409 1.5661 2.3252 2.3866 2.7880 2.8076 3.5093 3.5383 3.7833 3.8601 4.1058 4.1897 4.4157 4.4694 4.9930 5.0376 5.1778 5.2018 5.4370 5.4984 6.4375 6.4501 6.7936 6.8083 7.2502 7.2586 10.2292 10.3146 11.6642 11.7734 13.1946 13.2574 14.3780 14.4571 15.1917 15.4741 k = 0.0532-0.0287-0.0102 ( 3271 PWs) bands (ev): -14.1470 -14.1461 -12.5602 -12.5579 -11.9373 -11.9360 -11.1275 -11.1271 -10.5532 -10.5528 -10.2166 -10.2147 -2.1179 -2.1144 -1.6232 -1.6222 -0.2875 -0.2667 0.0491 0.0596 0.6493 0.6949 1.0452 1.0830 1.5148 1.5371 2.3574 2.4093 2.8129 2.8303 3.5050 3.5314 3.7870 3.8681 4.0905 4.1826 4.4021 4.4407 4.9740 5.0168 5.1753 5.1950 5.4254 5.4783 6.4375 6.4480 6.8037 6.8162 7.2550 7.2623 10.2334 10.3042 11.6711 11.7623 13.2093 13.2620 14.3807 14.4497 15.1892 15.4292 k = 0.0426-0.0229-0.0081 ( 3275 PWs) bands (ev): -14.1533 -14.1526 -12.5635 -12.5617 -11.9374 -11.9363 -11.1239 -11.1236 -10.5488 -10.5485 -10.2117 -10.2102 -2.0977 -2.0949 -1.6253 -1.6245 -0.2876 -0.2706 0.0526 0.0612 0.6477 0.6846 1.0565 1.0874 1.4926 1.5116 2.3858 2.4276 2.8346 2.8494 3.5042 3.5270 3.7942 3.8778 4.0705 4.1679 4.3940 4.4191 4.9578 4.9962 5.1737 5.1892 5.4181 5.4614 6.4375 6.4459 6.8123 6.8225 7.2591 7.2653 10.2381 10.2945 11.6786 11.7516 13.2227 13.2651 14.3847 14.4421 15.1912 15.3865 k = 0.0319-0.0172-0.0061 ( 3280 PWs) bands (ev): -14.1582 -14.1577 -12.5661 -12.5647 -11.9374 -11.9366 -11.1211 -11.1209 -10.5454 -10.5452 -10.2079 -10.2068 -2.0816 -2.0793 -1.6271 -1.6266 -0.2868 -0.2738 0.0556 0.0623 0.6473 0.6753 1.0664 1.0900 1.4752 1.4903 2.4098 2.4413 2.8525 2.8641 3.5063 3.5243 3.8055 3.8864 4.0508 4.1455 4.3898 4.4051 4.9455 4.9770 5.1728 5.1843 5.4145 5.4474 6.4375 6.4438 6.8195 6.8272 7.2626 7.2674 10.2433 10.2855 11.6865 11.7413 13.2346 13.2666 14.3899 14.4343 15.1982 15.3466 k = 0.0213-0.0115-0.0041 ( 3282 PWs) bands (ev): -14.1617 -14.1613 -12.5679 -12.5669 -11.9374 -11.9368 -11.1191 -11.1189 -10.5430 -10.5429 -10.2051 -10.2043 -2.0696 -2.0681 -1.6287 -1.6283 -0.2854 -0.2766 0.0582 0.0627 0.6483 0.6671 1.0748 1.0907 1.4631 1.4736 2.4289 2.4499 2.8660 2.8741 3.5101 3.5225 3.8211 3.8886 4.0394 4.1178 4.3883 4.3973 4.9380 4.9603 5.1726 5.1802 5.4140 5.4361 6.4378 6.4420 6.8250 6.8302 7.2654 7.2686 10.2491 10.2771 11.6948 11.7314 13.2449 13.2663 14.3960 14.4264 15.2104 15.3102 k = 0.0106-0.0057-0.0020 ( 3283 PWs) bands (ev): -14.1637 -14.1636 -12.5688 -12.5684 -11.9373 -11.9370 -11.1178 -11.1177 -10.5416 -10.5415 -10.2033 -10.2029 -2.0622 -2.0614 -1.6296 -1.6294 -0.2835 -0.2791 0.0602 0.0625 0.6508 0.6602 1.0814 1.0895 1.4569 1.4623 2.4426 2.4531 2.8750 2.8791 3.5142 3.5205 3.8405 3.8796 4.0432 4.0883 4.3886 4.3930 4.9358 4.9474 5.1732 5.1770 5.4161 5.4272 6.4384 6.4405 6.8289 6.8315 7.2674 7.2690 10.2553 10.2693 11.7035 11.7218 13.2533 13.2640 14.4030 14.4184 15.2278 15.2780 k = 0.0000 0.0000 0.0000 ( 3281 PWs) bands (ev): -14.1644 -14.1644 -12.5690 -12.5690 -11.9372 -11.9372 -11.1174 -11.1174 -10.5411 -10.5411 -10.2026 -10.2026 -2.0594 -2.0594 -1.6299 -1.6299 -0.2814 -0.2814 0.0617 0.0617 0.6547 0.6547 1.0864 1.0864 1.4566 1.4566 2.4506 2.4506 2.8794 2.8794 3.5178 3.5178 3.8615 3.8615 4.0615 4.0615 4.3903 4.3903 4.9390 4.9390 5.1747 5.1747 5.4206 5.4206 6.4393 6.4393 6.8311 6.8311 7.2686 7.2686 10.2620 10.2620 11.7125 11.7125 13.2597 13.2597 14.4105 14.4105 15.2504 15.2504 k = 0.0000 0.0000 0.0000 ( 3281 PWs) bands (ev): -14.1644 -14.1644 -12.5690 -12.5690 -11.9372 -11.9372 -11.1174 -11.1174 -10.5411 -10.5411 -10.2026 -10.2026 -2.0594 -2.0594 -1.6299 -1.6299 -0.2814 -0.2814 0.0617 0.0617 0.6547 0.6547 1.0864 1.0864 1.4566 1.4566 2.4506 2.4506 2.8794 2.8794 3.5178 3.5178 3.8615 3.8615 4.0615 4.0615 4.3903 4.3903 4.9390 4.9390 5.1747 5.1747 5.4206 5.4206 6.4393 6.4393 6.8311 6.8311 7.2686 7.2686 10.2620 10.2620 11.7125 11.7125 13.2597 13.2597 14.4105 14.4105 15.2504 15.2504 k =-0.0098-0.0050 0.0059 ( 3278 PWs) bands (ev): -14.1638 -14.1636 -12.5697 -12.5688 -11.9373 -11.9365 -11.1178 -11.1176 -10.5416 -10.5413 -10.2027 -10.2024 -2.0629 -2.0615 -1.6292 -1.6287 -0.2839 -0.2817 0.0594 0.0633 0.6534 0.6568 1.0791 1.0916 1.4544 1.4647 2.4498 2.4528 2.8669 2.8827 3.5163 3.5188 3.8262 3.8815 4.0410 4.1025 4.3906 4.3956 4.9311 4.9473 5.1672 5.1810 5.4212 5.4247 6.4392 6.4406 6.8304 6.8319 7.2663 7.2691 10.2536 10.2708 11.7045 11.7207 13.2463 13.2710 14.4106 14.4147 15.2281 15.2738 k =-0.0196-0.0101 0.0117 ( 3279 PWs) bands (ev): -14.1619 -14.1615 -12.5709 -12.5690 -11.9370 -11.9353 -11.1189 -11.1184 -10.5428 -10.5422 -10.2027 -10.2020 -2.0719 -2.0690 -1.6268 -1.6258 -0.2891 -0.2848 0.0566 0.0642 0.6528 0.6596 1.0701 1.0946 1.4580 1.4781 2.4500 2.4561 2.8461 2.8770 3.5128 3.5175 3.7919 3.8736 4.0547 4.1473 4.3960 4.4086 4.9239 4.9551 5.1595 5.1860 5.4264 5.4329 6.4402 6.4430 6.8298 6.8329 7.2622 7.2679 10.2456 10.2798 11.6967 11.7291 13.2311 13.2800 14.4150 14.4227 15.2072 15.2979 k =-0.0294-0.0151 0.0176 ( 3279 PWs) bands (ev): -14.1587 -14.1581 -12.5725 -12.5697 -11.9361 -11.9336 -11.1207 -11.1198 -10.5447 -10.5439 -10.2025 -10.2015 -2.0860 -2.0818 -1.6229 -1.6214 -0.2967 -0.2904 0.0531 0.0643 0.6528 0.6630 1.0601 1.0957 1.4670 1.4960 2.4511 2.4606 2.8185 2.8631 3.5030 3.5109 3.7680 3.8532 4.0881 4.1864 4.4074 4.4326 4.9177 4.9617 5.1533 5.1903 5.4357 5.4446 6.4423 6.4465 6.8295 6.8341 7.2565 7.2649 10.2380 10.2891 11.6894 11.7376 13.2146 13.2866 14.4237 14.4340 15.1880 15.3226 k =-0.0392-0.0201 0.0234 ( 3279 PWs) bands (ev): -14.1542 -14.1533 -12.5745 -12.5709 -11.9347 -11.9314 -11.1230 -11.1219 -10.5474 -10.5463 -10.2022 -10.2009 -2.1051 -2.0995 -1.6178 -1.6159 -0.3066 -0.2983 0.0490 0.0635 0.6531 0.6666 1.0500 1.0957 1.4808 1.5173 2.4527 2.4661 2.7861 2.8426 3.4826 3.4957 3.7598 3.8388 4.1232 4.2147 4.4267 4.4691 4.9128 4.9661 5.1505 5.1949 5.4480 5.4588 6.4454 6.4508 6.8293 6.8356 7.2493 7.2603 10.2309 10.2985 11.6827 11.7464 13.1970 13.2908 14.4363 14.4481 15.1711 15.3478 k =-0.0490-0.0251 0.0293 ( 3278 PWs) bands (ev): -14.1484 -14.1473 -12.5769 -12.5724 -11.9330 -11.9289 -11.1260 -11.1246 -10.5507 -10.5494 -10.2017 -10.2001 -2.1286 -2.1217 -1.6119 -1.6096 -0.3181 -0.3082 0.0444 0.0619 0.6534 0.6700 1.0405 1.0952 1.4981 1.5411 2.4541 2.4720 2.7512 2.8174 3.4516 3.4704 3.7667 3.8376 4.1517 4.2326 4.4554 4.5161 4.9099 4.9678 5.1527 5.2008 5.4625 5.4745 6.4492 6.4558 6.8295 6.8374 7.2409 7.2544 10.2243 10.3080 11.6767 11.7555 13.1788 13.2926 14.4518 14.4645 15.1572 15.3735 k =-0.0588-0.0302 0.0352 ( 3281 PWs) bands (ev): -14.1413 -14.1399 -12.5797 -12.5743 -11.9308 -11.9260 -11.1295 -11.1279 -10.5548 -10.5532 -10.2011 -10.1992 -2.1562 -2.1481 -1.6056 -1.6030 -0.3310 -0.3195 0.0391 0.0593 0.6534 0.6727 1.0326 1.0951 1.5179 1.5662 2.4540 2.4779 2.7167 2.7898 3.4137 3.4364 3.7842 3.8492 4.1710 4.2431 4.4927 4.5678 4.9101 4.9677 5.1604 5.2089 5.4781 5.4912 6.4534 6.4612 6.8302 6.8396 7.2315 7.2472 10.2181 10.3174 11.6717 11.7650 13.1604 13.2922 14.4687 14.4834 15.1469 15.3996 k =-0.0686-0.0352 0.0410 ( 3278 PWs) bands (ev): -14.1329 -14.1313 -12.5827 -12.5766 -11.9284 -11.9229 -11.1336 -11.1317 -10.5595 -10.5577 -10.2003 -10.1981 -2.1875 -2.1782 -1.5991 -1.5962 -0.3447 -0.3318 0.0332 0.0559 0.6527 0.6741 1.0269 1.0960 1.5389 1.5916 2.4505 2.4827 2.6860 2.7624 3.3725 3.3971 3.8080 3.8699 4.1830 4.2497 4.5352 4.6183 4.9150 4.9689 5.1734 5.2198 5.4941 5.5081 6.4578 6.4665 6.8313 6.8424 7.2215 7.2393 10.2125 10.3267 11.6680 11.7751 13.1421 13.2900 14.4849 14.5049 15.1410 15.4260 k =-0.0784-0.0402 0.0469 ( 3275 PWs) bands (ev): -14.1232 -14.1214 -12.5860 -12.5791 -11.9258 -11.9197 -11.1382 -11.1361 -10.5649 -10.5630 -10.1993 -10.1969 -2.2222 -2.2117 -1.5928 -1.5897 -0.3588 -0.3448 0.0269 0.0518 0.6508 0.6737 1.0240 1.0985 1.5600 1.6162 2.4412 2.4846 2.6624 2.7387 3.3305 3.3554 3.8341 3.8956 4.1908 4.2549 4.5772 4.6622 4.9254 4.9770 5.1906 5.2338 5.5099 5.5250 6.4620 6.4714 6.8332 6.8457 7.2113 7.2309 10.2075 10.3356 11.6658 11.7860 13.1242 13.2864 14.4989 14.5283 15.1402 15.4527 k =-0.0882-0.0453 0.0527 ( 3270 PWs) bands (ev): -14.1122 -14.1102 -12.5894 -12.5819 -11.9231 -11.9164 -11.1433 -11.1410 -10.5710 -10.5689 -10.1981 -10.1955 -2.2600 -2.2483 -1.5869 -1.5836 -0.3729 -0.3580 0.0202 0.0470 0.6473 0.6710 1.0245 1.1029 1.5800 1.6386 2.4249 2.4817 2.6488 2.7221 3.2891 3.3137 3.8598 3.9227 4.1979 4.2610 4.6129 4.6958 4.9410 4.9985 5.2109 5.2511 5.5252 5.5415 6.4655 6.4753 6.8357 6.8497 7.2015 7.2226 10.2030 10.3443 11.6654 11.7977 13.1071 13.2816 14.5099 14.5526 15.1452 15.4793 k =-0.0980-0.0503 0.0586 ( 3277 PWs) bands (ev): -14.1000 -14.0977 -12.5930 -12.5848 -11.9204 -11.9132 -11.1488 -11.1463 -10.5778 -10.5755 -10.1968 -10.1940 -2.3006 -2.2878 -1.5816 -1.5782 -0.3867 -0.3710 0.0133 0.0418 0.6420 0.6659 1.0284 1.1095 1.5976 1.6578 2.4027 2.4719 2.6454 2.7157 3.2492 3.2734 3.8825 3.9475 4.2076 4.2698 4.6381 4.7183 4.9633 5.0349 5.2337 5.2717 5.5398 5.5573 6.4678 6.4778 6.8390 6.8542 7.1925 7.2148 10.1992 10.3525 11.6670 11.8105 13.0910 13.2760 14.5175 14.5764 15.1563 15.5055 k =-0.1078-0.0553 0.0644 ( 3277 PWs) bands (ev): -14.0865 -14.0840 -12.5967 -12.5879 -11.9178 -11.9102 -11.1547 -11.1520 -10.5853 -10.5828 -10.1953 -10.1923 -2.3437 -2.3300 -1.5771 -1.5735 -0.3998 -0.3836 0.0062 0.0363 0.6343 0.6583 1.0359 1.1184 1.6118 1.6724 2.3778 2.4556 2.6512 2.7197 3.2114 3.2353 3.9003 3.9674 4.2223 4.2826 4.6525 4.7306 4.9951 5.0810 5.2584 5.2958 5.5534 5.5725 6.4687 6.4784 6.8429 6.8591 7.1851 7.2083 10.1961 10.3603 11.6709 11.8246 13.0761 13.2702 14.5211 14.5988 15.1731 15.5306 k =-0.1176-0.0603 0.0703 ( 3274 PWs) bands (ev): -14.0717 -14.0691 -12.6003 -12.5910 -11.9154 -11.9074 -11.1610 -11.1582 -10.5933 -10.5908 -10.1935 -10.1904 -2.3892 -2.3745 -1.5735 -1.5697 -0.4120 -0.3955 -0.0007 0.0308 0.6239 0.6486 1.0467 1.1295 1.6213 1.6814 2.3539 2.4349 2.6640 2.7326 3.1763 3.1999 3.9121 3.9801 4.2436 4.3004 4.6590 4.7351 5.0355 5.1307 5.2853 5.3233 5.5663 5.5870 6.4677 6.4768 6.8470 6.8638 7.1799 7.2039 10.1938 10.3676 11.6773 11.8402 13.0627 13.2645 14.5209 14.6189 15.1948 15.5536 k =-0.1275-0.0654 0.0762 ( 3273 PWs) bands (ev): -14.0558 -14.0529 -12.6040 -12.5942 -11.9134 -11.9051 -11.1676 -11.1646 -10.6020 -10.5994 -10.1916 -10.1883 -2.4368 -2.4212 -1.5708 -1.5669 -0.4230 -0.4065 -0.0074 0.0254 0.6107 0.6372 1.0603 1.1428 1.6249 1.6838 2.3337 2.4130 2.6821 2.7519 3.1444 3.1678 3.9176 3.9854 4.2714 4.3227 4.6614 4.7348 5.0808 5.1791 5.3145 5.3543 5.5788 5.6014 6.4645 6.4727 6.8509 6.8680 7.1775 7.2022 10.1924 10.3746 11.6864 11.8573 13.0509 13.2592 14.5169 14.6361 15.2195 15.5741 k =-0.1373-0.0704 0.0820 ( 3272 PWs) bands (ev): -14.0386 -14.0356 -12.6075 -12.5973 -11.9118 -11.9032 -11.1744 -11.1713 -10.6113 -10.6086 -10.1894 -10.1860 -2.4863 -2.4699 -1.5691 -1.5651 -0.4328 -0.4164 -0.0137 0.0204 0.5948 0.6241 1.0765 1.1581 1.6215 1.6795 2.3190 2.3926 2.7036 2.7753 3.1163 3.1394 3.9174 3.9840 4.3043 4.3485 4.6628 4.7328 5.1270 5.2228 5.3463 5.3885 5.5913 5.6161 6.4592 6.4662 6.8541 6.8711 7.1786 7.2039 10.1920 10.3812 11.6983 11.8762 13.0408 13.2548 14.5095 14.6500 15.2446 15.5927 k =-0.1471-0.0754 0.0879 ( 3273 PWs) bands (ev): -14.0203 -14.0170 -12.6109 -12.6004 -11.9108 -11.9020 -11.1814 -11.1783 -10.6212 -10.6184 -10.1871 -10.1835 -2.5375 -2.5203 -1.5684 -1.5643 -0.4413 -0.4251 -0.0192 0.0160 0.5763 0.6097 1.0945 1.1751 1.6106 1.6686 2.3105 2.3754 2.7271 2.8007 3.0928 3.1155 3.9124 3.9772 4.3400 4.3759 4.6655 4.7313 5.1710 5.2602 5.3801 5.4247 5.6050 5.6322 6.4518 6.4574 6.8560 6.8725 7.1834 7.2094 10.1929 10.3877 11.7130 11.8969 13.0327 13.2516 14.4993 14.6606 15.2664 15.6118 k =-0.1569-0.0805 0.0937 ( 3273 PWs) bands (ev): -14.0008 -13.9974 -12.6142 -12.6033 -11.9105 -11.9015 -11.1886 -11.1854 -10.6316 -10.6288 -10.1845 -10.1808 -2.5901 -2.5723 -1.5687 -1.5646 -0.4483 -0.4327 -0.0240 0.0123 0.5558 0.5940 1.1141 1.1936 1.5922 1.6520 2.3079 2.3621 2.7510 2.8260 3.0746 3.0973 3.9037 3.9664 4.3760 4.4034 4.6711 4.7323 5.2111 5.2913 5.4143 5.4601 5.6215 5.6513 6.4422 6.4467 6.8562 6.8720 7.1919 7.2188 10.1951 10.3942 11.7306 11.9195 13.0266 13.2498 14.4867 14.6678 15.2815 15.6347 k =-0.1667-0.0855 0.0996 ( 3273 PWs) bands (ev): -13.9802 -13.9766 -12.6173 -12.6061 -11.9110 -11.9019 -11.1959 -11.1926 -10.6425 -10.6397 -10.1817 -10.1779 -2.6440 -2.6257 -1.5700 -1.5658 -0.4541 -0.4390 -0.0277 0.0096 0.5335 0.5769 1.1346 1.2133 1.5673 1.6307 2.3105 2.3530 2.7735 2.8488 3.0629 3.0870 3.8924 3.9526 4.4090 4.4308 4.6808 4.7374 5.2461 5.3171 5.4466 5.4914 5.6426 5.6753 6.4306 6.4347 6.8544 6.8695 7.2041 7.2319 10.1988 10.4010 11.7511 11.9442 13.0226 13.2498 14.4724 14.6718 15.2873 15.6632 k =-0.1765-0.0905 0.1055 ( 3271 PWs) bands (ev): -13.9585 -13.9546 -12.6201 -12.6087 -11.9123 -11.9032 -11.2032 -11.1999 -10.6539 -10.6511 -10.1787 -10.1748 -2.6990 -2.6802 -1.5722 -1.5680 -0.4585 -0.4442 -0.0303 0.0080 0.5099 0.5586 1.1555 1.2336 1.5372 1.6057 2.3168 2.3478 2.7926 2.8661 3.0588 3.0868 3.8794 3.9368 4.4346 4.4594 4.6948 4.7481 5.2758 5.3384 5.4749 5.5161 5.6696 5.7056 6.4173 6.4221 6.8507 6.8651 7.2193 7.2480 10.2043 10.4083 11.7744 11.9709 13.0207 13.2518 14.4567 14.6728 15.2835 15.6945 k =-0.1863-0.0955 0.1113 ( 3268 PWs) bands (ev): -13.9357 -13.9317 -12.6227 -12.6111 -11.9147 -11.9055 -11.2105 -11.2072 -10.6658 -10.6630 -10.1755 -10.1715 -2.7547 -2.7356 -1.5754 -1.5710 -0.4618 -0.4483 -0.0315 0.0078 0.4853 0.5392 1.1762 1.2539 1.5039 1.5782 2.3249 2.3465 2.8069 2.8762 3.0635 3.0979 3.8654 3.9196 4.4526 4.4874 4.7131 4.7648 5.3004 5.3555 5.4982 5.5343 5.7027 5.7418 6.4028 6.4090 6.8454 6.8589 7.2370 7.2663 10.2117 10.4165 11.8003 11.9996 13.0210 13.2560 14.4400 14.6711 15.2713 15.7132 k =-0.1961-0.1006 0.1172 ( 3267 PWs) bands (ev): -13.9118 -13.9076 -12.6250 -12.6132 -11.9181 -11.9090 -11.2178 -11.2145 -10.6781 -10.6752 -10.1721 -10.1680 -2.8111 -2.7918 -1.5794 -1.5749 -0.4641 -0.4514 -0.0311 0.0090 0.4601 0.5188 1.1957 1.2731 1.4695 1.5499 2.3318 2.3500 2.8162 2.8793 3.0773 3.1191 3.8514 3.9018 4.4656 4.5120 4.7355 4.7872 5.3202 5.3686 5.5173 5.5480 5.7405 5.7818 6.3879 6.3959 6.8386 6.8514 7.2562 7.2859 10.2212 10.4259 11.8288 12.0305 13.0235 13.2627 14.4227 14.6671 15.2527 15.7052 k =-0.2059-0.1056 0.1230 ( 3266 PWs) bands (ev): -13.8869 -13.8826 -12.6270 -12.6151 -11.9226 -11.9136 -11.2250 -11.2217 -10.6907 -10.6879 -10.1685 -10.1644 -2.8679 -2.8484 -1.5842 -1.5796 -0.4655 -0.4537 -0.0291 0.0119 0.4343 0.4976 1.2129 1.2890 1.4371 1.5227 2.3350 2.3591 2.8214 2.8775 3.0985 3.1472 3.8379 3.8840 4.4754 4.5320 4.7615 4.8134 5.3352 5.3772 5.5340 5.5593 5.7813 5.8234 6.3732 6.3830 6.8307 6.8429 7.2763 7.3059 10.2330 10.4367 11.8597 12.0634 13.0281 13.2720 14.4049 14.6610 15.2296 15.6838 k =-0.2157-0.1106 0.1289 ( 3266 PWs) bands (ev): -13.8611 -13.8565 -12.6287 -12.6167 -11.9283 -11.9194 -11.2321 -11.2287 -10.7036 -10.7008 -10.1647 -10.1605 -2.9249 -2.9055 -1.5897 -1.5850 -0.4661 -0.4553 -0.0253 0.0165 0.4085 0.4758 1.2255 1.2968 1.4121 1.4992 2.3360 2.3706 2.8243 2.8734 3.1245 3.1792 3.8260 3.8670 4.4831 4.5477 4.7903 4.8415 5.3459 5.3816 5.5501 5.5700 5.8232 5.8645 6.3592 6.3710 6.8220 6.8335 7.2963 7.3256 10.2473 10.4492 11.8928 12.0983 13.0350 13.2839 14.3870 14.6532 15.2036 15.6584 k =-0.2255-0.1157 0.1348 ( 3265 PWs) bands (ev): -13.8342 -13.8296 -12.6301 -12.6181 -11.9354 -11.9266 -11.2390 -11.2357 -10.7168 -10.7140 -10.1607 -10.1565 -2.9820 -2.9626 -1.5958 -1.5909 -0.4662 -0.4564 -0.0196 0.0229 0.3827 0.4534 1.2307 1.2897 1.4020 1.4827 2.3355 2.3825 2.8266 2.8690 3.1527 3.2124 3.8166 3.8518 4.4893 4.5598 4.8206 4.8698 5.3525 5.3820 5.5668 5.5813 5.8647 5.9041 6.3463 6.3602 6.8127 6.8235 7.3157 7.3442 10.2641 10.4638 11.9280 12.1351 13.0439 13.2987 14.3690 14.6440 15.1757 15.6316 k =-0.2353-0.1207 0.1406 ( 3267 PWs) bands (ev): -13.8065 -13.8017 -12.6312 -12.6192 -11.9437 -11.9350 -11.2458 -11.2424 -10.7302 -10.7274 -10.1566 -10.1523 -3.0388 -3.0196 -1.6025 -1.5974 -0.4660 -0.4570 -0.0120 0.0312 0.3572 0.4308 1.2247 1.2691 1.4066 1.4762 2.3339 2.3935 2.8293 2.8656 3.1806 3.2445 3.8106 3.8395 4.4944 4.5692 4.8511 4.8968 5.3557 5.3793 5.5843 5.5944 5.9048 5.9410 6.3351 6.3510 6.8029 6.8131 7.3337 7.3614 10.2835 10.4806 11.9649 12.1738 13.0549 13.3162 14.3512 14.6336 15.1469 15.6044 k =-0.2451-0.1257 0.1465 ( 3269 PWs) bands (ev): -13.7779 -13.7730 -12.6320 -12.6200 -11.9533 -11.9448 -11.2524 -11.2490 -10.7438 -10.7410 -10.1523 -10.1480 -3.0953 -3.0764 -1.6096 -1.6044 -0.4654 -0.4574 -0.0024 0.0415 0.3322 0.4080 1.2055 1.2438 1.4189 1.4803 2.3310 2.4031 2.8333 2.8641 3.2062 3.2737 3.8092 3.8312 4.4984 4.5762 4.8808 4.9216 5.3562 5.3744 5.6019 5.6104 5.9424 5.9746 6.3258 6.3441 6.7929 6.8025 7.3498 7.3767 10.3056 10.4997 12.0036 12.2141 13.0679 13.3366 14.3337 14.6223 15.1177 15.5775 k =-0.2549-0.1307 0.1523 ( 3271 PWs) bands (ev): -13.7484 -13.7434 -12.6325 -12.6206 -11.9643 -11.9560 -11.2588 -11.2553 -10.7574 -10.7547 -10.1479 -10.1436 -3.1513 -3.1327 -1.6171 -1.6118 -0.4648 -0.4575 0.0091 0.0538 0.3080 0.3852 1.1767 1.2174 1.4348 1.4923 2.3271 2.4110 2.8387 2.8647 3.2277 3.2980 3.8132 3.8284 4.5013 4.5812 4.9089 4.9438 5.3548 5.3684 5.6190 5.6299 5.9769 6.0043 6.3189 6.3397 6.7827 6.7919 7.3635 7.3898 10.3304 10.5213 12.0436 12.2561 13.0828 13.3598 14.3165 14.6103 15.0887 15.5511 k =-0.2647-0.1358 0.1582 ( 3271 PWs) bands (ev): -13.7182 -13.7130 -12.6327 -12.6209 -11.9766 -11.9684 -11.2650 -11.2615 -10.7711 -10.7684 -10.1434 -10.1391 -3.2065 -3.1883 -1.6249 -1.6194 -0.4641 -0.4576 0.0224 0.0679 0.2849 0.3626 1.1435 1.1892 1.4528 1.5088 2.3222 2.4169 2.8458 2.8678 3.2441 3.3162 3.8233 3.8323 4.5027 4.5841 4.9349 4.9631 5.3520 5.3621 5.6364 5.6516 6.0076 6.0298 6.3146 6.3383 6.7725 6.7813 7.3746 7.4006 10.3579 10.5453 12.0850 12.2995 13.0996 13.3858 14.2998 14.5977 15.0603 15.5254 k =-0.2745-0.1408 0.1640 ( 3274 PWs) bands (ev): -13.6872 -13.6820 -12.6327 -12.6210 -11.9902 -11.9822 -11.2710 -11.2674 -10.7848 -10.7821 -10.1388 -10.1345 -3.2608 -3.2431 -1.6329 -1.6274 -0.4635 -0.4577 0.0373 0.0840 0.2631 0.3405 1.1091 1.1596 1.4719 1.5273 2.3167 2.4211 2.8543 2.8730 3.2546 3.3272 3.8389 3.8443 4.5024 4.5847 4.9588 4.9800 5.3484 5.3566 5.6545 5.6745 6.0340 6.0507 6.3134 6.3398 6.7625 6.7709 7.3826 7.4090 10.3879 10.5718 12.1275 12.3441 13.1182 13.4143 14.2835 14.5846 15.0328 15.5005 k =-0.2843-0.1458 0.1699 ( 3270 PWs) bands (ev): -13.6555 -13.6502 -12.6324 -12.6209 -12.0051 -11.9972 -11.2768 -11.2731 -10.7983 -10.7957 -10.1342 -10.1298 -3.3140 -3.2969 -1.6411 -1.6355 -0.4630 -0.4579 0.0534 0.1017 0.2431 0.3188 1.0749 1.1294 1.4913 1.5462 2.3111 2.4236 2.8642 2.8800 3.2594 3.3311 3.8586 3.8654 4.5000 4.5828 4.9804 4.9955 5.3441 5.3523 5.6734 5.6980 6.0558 6.0673 6.3154 6.3442 6.7527 6.7609 7.3876 7.4150 10.4203 10.6005 12.1709 12.3897 13.1385 13.4452 14.2679 14.5711 15.0065 15.4766 k =-0.2941-0.1509 0.1758 ( 3271 PWs) bands (ev): -13.6232 -13.6178 -12.6320 -12.6206 -12.0213 -12.0135 -11.2824 -11.2787 -10.8118 -10.8091 -10.1295 -10.1251 -3.3660 -3.3495 -1.6494 -1.6437 -0.4626 -0.4581 0.0702 0.1210 0.2255 0.2979 1.0415 1.0992 1.5103 1.5645 2.3057 2.4249 2.8750 2.8884 3.2589 3.3285 3.8830 3.8933 4.4953 4.5781 4.9990 5.0115 5.3396 5.3490 5.6926 5.7215 6.0728 6.0800 6.3203 6.3510 6.7432 6.7513 7.3897 7.4185 10.4549 10.6313 12.2150 12.4361 13.1604 13.4784 14.2528 14.5572 14.9816 15.4538 k =-0.3039-0.1559 0.1816 ( 3275 PWs) bands (ev): -13.5903 -13.5848 -12.6314 -12.6202 -12.0386 -12.0309 -11.2879 -11.2840 -10.8250 -10.8224 -10.1248 -10.1205 -3.4166 -3.4008 -1.6578 -1.6520 -0.4624 -0.4584 0.0865 0.1414 0.2115 0.2781 1.0092 1.0696 1.5285 1.5815 2.3012 2.4254 2.8864 2.8976 3.2542 3.3204 3.9122 3.9256 4.4883 4.5706 5.0147 5.0294 5.3354 5.3467 5.7117 5.7445 6.0852 6.0899 6.3277 6.3595 6.7343 6.7424 7.3888 7.4197 10.4915 10.6639 12.2597 12.4829 13.1840 13.5136 14.2385 14.5427 14.9582 15.4320 k =-0.3137-0.1609 0.1875 ( 3279 PWs) bands (ev): -13.5568 -13.5514 -12.6308 -12.6198 -12.0571 -12.0494 -11.2931 -11.2891 -10.8379 -10.8354 -10.1201 -10.1158 -3.4657 -3.4506 -1.6661 -1.6603 -0.4623 -0.4588 0.1001 0.1619 0.2037 0.2597 0.9782 1.0407 1.5454 1.5967 2.2979 2.4256 2.8978 2.9070 3.2462 3.3081 3.9448 3.9610 4.4794 4.5603 5.0293 5.0488 5.3315 5.3449 5.7302 5.7664 6.0933 6.0980 6.3370 6.3690 6.7259 6.7341 7.3855 7.4185 10.5298 10.6980 12.3048 12.5300 13.2092 13.5506 14.2248 14.5278 14.9366 15.4112 k =-0.3235-0.1659 0.1933 ( 3279 PWs) bands (ev): -13.5230 -13.5175 -12.6300 -12.6193 -12.0765 -12.0688 -11.2981 -11.2941 -10.8506 -10.8481 -10.1154 -10.1112 -3.5131 -3.4987 -1.6744 -1.6686 -0.4625 -0.4593 0.1079 0.1794 0.2068 0.2442 0.9486 1.0129 1.5605 1.6095 2.2963 2.4259 2.9088 2.9162 3.2361 3.2929 3.9794 3.9981 4.4689 4.5476 5.0445 5.0689 5.3278 5.3438 5.7475 5.7865 6.0987 6.1046 6.3473 6.3787 6.7182 6.7266 7.3800 7.4151 10.5695 10.7334 12.3501 12.5769 13.2359 13.5890 14.2119 14.5122 14.9169 15.3914 k =-0.3333-0.1710 0.1992 ( 3281 PWs) bands (ev): -13.4887 -13.4832 -12.6294 -12.6189 -12.0969 -12.0891 -11.3029 -11.2989 -10.8628 -10.8604 -10.1108 -10.1067 -3.5587 -3.5451 -1.6825 -1.6767 -0.4627 -0.4599 0.1081 0.1903 0.2190 0.2386 0.9205 0.9864 1.5737 1.6198 2.2969 2.4268 2.9184 2.9249 3.2247 3.2756 4.0147 4.0358 4.4577 4.5331 5.0611 5.0895 5.3244 5.3435 5.7631 5.8042 6.1030 6.1099 6.3576 6.3879 6.7111 6.7198 7.3727 7.4097 10.6103 10.7695 12.3954 12.6233 13.2641 13.6284 14.1998 14.4960 14.8991 15.3725 k =-0.3431-0.1760 0.2051 ( 3279 PWs) bands (ev): -13.4541 -13.4487 -12.6288 -12.6186 -12.1180 -12.1102 -11.3076 -11.3035 -10.8746 -10.8723 -10.1063 -10.1023 -3.6024 -3.5895 -1.6904 -1.6848 -0.4632 -0.4605 0.1028 0.1890 0.2313 0.2549 0.8938 0.9611 1.5846 1.6273 2.2998 2.4286 2.9257 2.9332 3.2129 3.2572 4.0494 4.0731 4.4466 4.5175 5.0793 5.1102 5.3215 5.3441 5.7763 5.8190 6.1070 6.1144 6.3674 6.3961 6.7048 6.7138 7.3640 7.4026 10.6519 10.8061 12.4405 12.6688 13.2937 13.6686 14.1887 14.4792 14.8833 15.3542 k =-0.3529-0.1810 0.2109 ( 3281 PWs) bands (ev): -13.4194 -13.4140 -12.6284 -12.6185 -12.1398 -12.1318 -11.3120 -11.3080 -10.8860 -10.8837 -10.1019 -10.0981 -3.6440 -3.6319 -1.6982 -1.6926 -0.4637 -0.4611 0.0950 0.1781 0.2507 0.2801 0.8687 0.9372 1.5929 1.6319 2.3054 2.4316 2.9301 2.9406 3.2012 3.2384 4.0823 4.1090 4.4368 4.5019 5.0987 5.1306 5.3192 5.3462 5.7866 5.8302 6.1114 6.1189 6.3761 6.4031 6.6990 6.7084 7.3544 7.3941 10.6939 10.8426 12.4853 12.7131 13.3248 13.7088 14.1787 14.4617 14.8695 15.3365 k =-0.3627-0.1861 0.2168 ( 3280 PWs) bands (ev): -13.3845 -13.3792 -12.6283 -12.6188 -12.1620 -12.1539 -11.3163 -11.3123 -10.8968 -10.8946 -10.0977 -10.0940 -3.6834 -3.6722 -1.7056 -1.7002 -0.4644 -0.4618 0.0868 0.1651 0.2742 0.3075 0.8451 0.9146 1.5987 1.6338 2.3137 2.4361 2.9318 2.9464 3.1901 3.2194 4.1123 4.1425 4.4293 4.4873 5.1189 5.1499 5.3181 5.3505 5.7937 5.8377 6.1164 6.1236 6.3834 6.4087 6.6935 6.7035 7.3445 7.3845 10.7359 10.8787 12.5295 12.7556 13.3573 13.7486 14.1700 14.4436 14.8579 15.3191 k =-0.3725-0.1911 0.2226 ( 3274 PWs) bands (ev): -13.3496 -13.3444 -12.6286 -12.6194 -12.1844 -12.1763 -11.3204 -11.3164 -10.9070 -10.9049 -10.0936 -10.0900 -3.7205 -3.7101 -1.7128 -1.7076 -0.4652 -0.4625 0.0788 0.1521 0.2994 0.3359 0.8231 0.8935 1.6017 1.6332 2.3245 2.4422 2.9308 2.9503 3.1797 3.2009 4.1385 4.1728 4.4251 4.4748 5.1391 5.1674 5.3190 5.3577 5.7974 5.8414 6.1224 6.1288 6.3894 6.4130 6.6882 6.6989 7.3345 7.3743 10.7776 10.9139 12.5730 12.7961 13.3910 13.7871 14.1629 14.4252 14.8483 15.3017 k =-0.3824-0.1961 0.2285 ( 3274 PWs) bands (ev): -13.3149 -13.3098 -12.6295 -12.6206 -12.2069 -12.1987 -11.3242 -11.3204 -10.9166 -10.9146 -10.0896 -10.0863 -3.7553 -3.7457 -1.7196 -1.7146 -0.4660 -0.4632 0.0715 0.1398 0.3254 0.3648 0.8025 0.8737 1.6020 1.6304 2.3378 2.4499 2.9274 2.9521 3.1697 3.1829 4.1601 4.1989 4.4249 4.4655 5.1580 5.1821 5.3228 5.3686 5.7976 5.8412 6.1290 6.1345 6.3940 6.4161 6.6826 6.6942 7.3250 7.3638 10.8186 10.9479 12.6155 12.8340 13.4258 13.8232 14.1579 14.4066 14.8408 15.2840 k =-0.3922-0.2011 0.2344 ( 3275 PWs) bands (ev): -13.2804 -13.2755 -12.6310 -12.6225 -12.2291 -12.2208 -11.3278 -11.3241 -10.9255 -10.9237 -10.0859 -10.0828 -3.7876 -3.7789 -1.7260 -1.7213 -0.4669 -0.4640 0.0652 0.1283 0.3517 0.3936 0.7834 0.8552 1.5997 1.6257 2.3533 2.4591 2.9219 2.9516 3.1594 3.1664 4.1773 4.2200 4.4288 4.4602 5.1744 5.1936 5.3308 5.3837 5.7946 5.8377 6.1362 6.1406 6.3975 6.4181 6.6765 6.6892 7.3162 7.3533 10.8585 10.9802 12.6570 12.8690 13.4615 13.8559 14.1555 14.3881 14.8355 15.2657 k =-0.4020-0.2062 0.2402 ( 3280 PWs) bands (ev): -13.2464 -13.2417 -12.6333 -12.6252 -12.2508 -12.2425 -11.3312 -11.3277 -10.9338 -10.9321 -10.0825 -10.0796 -3.8174 -3.8094 -1.7319 -1.7275 -0.4677 -0.4648 0.0598 0.1176 0.3778 0.4221 0.7659 0.8381 1.5952 1.6196 2.3705 2.4696 2.9149 2.9492 3.1460 3.1536 4.1904 4.2359 4.4360 4.4594 5.1873 5.2020 5.3438 5.4028 5.7884 5.8311 6.1434 6.1468 6.4000 6.4195 6.6698 6.6836 7.3084 7.3433 10.8970 11.0105 12.6971 12.9006 13.4979 13.8837 14.1564 14.3700 14.8326 15.2464 k =-0.4118-0.2112 0.2461 ( 3281 PWs) bands (ev): -13.2131 -13.2086 -12.6365 -12.6288 -12.2716 -12.2635 -11.3343 -11.3310 -10.9414 -10.9398 -10.0793 -10.0766 -3.8445 -3.8374 -1.7374 -1.7333 -0.4684 -0.4655 0.0555 0.1078 0.4034 0.4499 0.7499 0.8221 1.5889 1.6122 2.3891 2.4810 2.9070 2.9451 3.1303 3.1433 4.2005 4.2469 4.4455 4.4625 5.1965 5.2079 5.3620 5.4253 5.7795 5.8219 6.1503 6.1529 6.4019 6.4203 6.6623 6.6774 7.3019 7.3340 10.9337 11.0383 12.7358 12.9286 13.5348 13.9052 14.1612 14.3527 14.8323 15.2260 k =-0.4216-0.2162 0.2519 ( 3283 PWs) bands (ev): -13.1808 -13.1766 -12.6407 -12.6334 -12.2912 -12.2833 -11.3372 -11.3341 -10.9482 -10.9468 -10.0763 -10.0739 -3.8690 -3.8626 -1.7424 -1.7387 -0.4691 -0.4663 0.0521 0.0989 0.4282 0.4765 0.7355 0.8073 1.5815 1.6040 2.4087 2.4930 2.8988 2.9397 3.1148 3.1331 4.2088 4.2540 4.4558 4.4686 5.2027 5.2118 5.3844 5.4502 5.7681 5.8106 6.1566 6.1586 6.4036 6.4208 6.6541 6.6702 7.2967 7.3256 10.9683 11.0633 12.7729 12.9527 13.5717 13.9196 14.1698 14.3367 14.8348 15.2041 k =-0.4314-0.2213 0.2578 ( 3287 PWs) bands (ev): -13.1497 -13.1458 -12.6459 -12.6392 -12.3092 -12.3017 -11.3397 -11.3369 -10.9542 -10.9530 -10.0737 -10.0715 -3.8906 -3.8851 -1.7468 -1.7435 -0.4698 -0.4671 0.0496 0.0908 0.4520 0.5015 0.7227 0.7935 1.5735 1.5951 2.4288 2.5050 2.8910 2.9332 3.1000 3.1223 4.2160 4.2583 4.4660 4.4762 5.2070 5.2144 5.4099 5.4766 5.7546 5.7974 6.1621 6.1637 6.4051 6.4213 6.6455 6.6623 7.2927 7.3182 11.0005 11.0853 12.8081 12.9725 13.6085 13.9267 14.1815 14.3222 14.8406 15.1806 k =-0.4412-0.2263 0.2636 ( 3290 PWs) bands (ev): -13.1203 -13.1168 -12.6522 -12.6461 -12.3253 -12.3183 -11.3419 -11.3395 -10.9595 -10.9584 -10.0713 -10.0694 -3.9095 -3.9048 -1.7507 -1.7478 -0.4703 -0.4678 0.0480 0.0835 0.4743 0.5243 0.7119 0.7805 1.5656 1.5859 2.4489 2.5164 2.8842 2.9260 3.0863 3.1110 4.2229 4.2609 4.4753 4.4839 5.2100 5.2162 5.4373 5.5037 5.7394 5.7826 6.1666 6.1681 6.4067 6.4217 6.6369 6.6537 7.2900 7.3118 11.0300 11.1040 12.8413 12.9878 13.6447 13.9271 14.1950 14.3096 14.8499 15.1554 k =-0.4510-0.2313 0.2695 ( 3289 PWs) bands (ev): -13.0932 -13.0901 -12.6591 -12.6537 -12.3391 -12.3329 -11.3438 -11.3417 -10.9640 -10.9631 -10.0692 -10.0677 -3.9254 -3.9215 -1.7540 -1.7515 -0.4707 -0.4685 0.0472 0.0769 0.4952 0.5441 0.7034 0.7682 1.5583 1.5767 2.4684 2.5267 2.8787 2.9185 3.0741 3.0994 4.2296 4.2625 4.4833 4.4909 5.2125 5.2176 5.4656 5.5307 5.7226 5.7666 6.1701 6.1716 6.4086 6.4221 6.6287 6.6447 7.2884 7.3065 11.0565 11.1192 12.8722 12.9986 13.6801 13.9217 14.2087 14.2989 14.8630 15.1285 k =-0.4608-0.2363 0.2754 ( 3287 PWs) bands (ev): -13.0690 -13.0664 -12.6664 -12.6619 -12.3505 -12.3452 -11.3453 -11.3436 -10.9676 -10.9669 -10.0675 -10.0663 -3.9385 -3.9354 -1.7566 -1.7546 -0.4710 -0.4691 0.0472 0.0710 0.5142 0.5598 0.6979 0.7564 1.5521 1.5680 2.4868 2.5350 2.8750 2.9106 3.0640 3.0878 4.2363 4.2632 4.4899 4.4964 5.2147 5.2187 5.4941 5.5568 5.7049 5.7495 6.1728 6.1741 6.4108 6.4224 6.6215 6.6359 7.2876 7.3020 11.0798 11.1306 12.9007 13.0047 13.7142 13.9114 14.2216 14.2898 14.8799 15.1002 k =-0.4706-0.2414 0.2812 ( 3286 PWs) bands (ev): -13.0485 -13.0465 -12.6733 -12.6698 -12.3592 -12.3551 -11.3464 -11.3451 -10.9704 -10.9699 -10.0661 -10.0652 -3.9486 -3.9462 -1.7587 -1.7572 -0.4711 -0.4697 0.0479 0.0658 0.5313 0.5703 0.6960 0.7450 1.5475 1.5601 2.5035 2.5407 2.8734 2.9028 3.0566 3.0769 4.2426 4.2632 4.4951 4.5003 5.2166 5.2196 5.5221 5.5809 5.6869 5.7315 6.1747 6.1759 6.4132 6.4224 6.6158 6.6276 7.2876 7.2984 11.0996 11.1381 12.9263 13.0061 13.7469 13.8969 14.2331 14.2820 14.9006 15.0707 k =-0.4804-0.2464 0.2871 ( 3289 PWs) bands (ev): -13.0328 -13.0314 -12.6790 -12.6766 -12.3652 -12.3624 -11.3472 -11.3463 -10.9725 -10.9721 -10.0651 -10.0645 -3.9557 -3.9541 -1.7601 -1.7590 -0.4712 -0.4702 0.0493 0.0613 0.5462 0.5750 0.6984 0.7338 1.5446 1.5534 2.5179 2.5433 2.8741 2.8950 3.0523 3.0672 4.2485 4.2624 4.4989 4.5026 5.2181 5.2202 5.5491 5.6004 5.6712 5.7127 6.1760 6.1769 6.4156 6.4221 6.6120 6.6205 7.2883 7.2953 11.1158 11.1417 12.9489 13.0030 13.7778 13.8788 14.2433 14.2749 14.9246 15.0404 k =-0.4902-0.2514 0.2929 ( 3287 PWs) bands (ev): -13.0227 -13.0219 -12.6827 -12.6814 -12.3685 -12.3671 -11.3475 -11.3471 -10.9736 -10.9734 -10.0644 -10.0641 -3.9598 -3.9590 -1.7608 -1.7603 -0.4711 -0.4706 0.0514 0.0574 0.5587 0.5739 0.7044 0.7231 1.5438 1.5483 2.5294 2.5424 2.8769 2.8878 3.0514 3.0593 4.2535 4.2605 4.5016 4.5035 5.2194 5.2204 5.5741 5.6072 5.6657 5.6938 6.1769 6.1773 6.4179 6.4212 6.6106 6.6150 7.2894 7.2929 11.1282 11.1412 12.9682 12.9955 13.8067 13.8575 14.2523 14.2679 14.9513 15.0100 k =-0.5000-0.2565 0.2988 ( 3294 PWs) bands (ev): -13.0189 -13.0189 -12.6836 -12.6836 -12.3692 -12.3692 -11.3475 -11.3475 -10.9740 -10.9740 -10.0641 -10.0641 -3.9610 -3.9610 -1.7609 -1.7609 -0.4709 -0.4709 0.0540 0.0540 0.5682 0.5682 0.7130 0.7130 1.5450 1.5450 2.5377 2.5377 2.8816 2.8816 3.0538 3.0538 4.2576 4.2576 4.5031 4.5031 5.2201 5.2201 5.5954 5.5954 5.6762 5.6762 6.1773 6.1773 6.4198 6.4198 6.6116 6.6116 7.2909 7.2909 11.1367 11.1367 12.9838 12.9838 13.8333 13.8333 14.2604 14.2604 14.9800 14.9800 k =-0.5000-0.7826 0.1772 ( 3274 PWs) bands (ev): -13.0365 -13.0365 -12.4311 -12.4311 -11.9708 -11.9708 -11.7454 -11.7454 -11.2878 -11.2878 -10.2540 -10.2540 -3.6355 -3.6355 -1.6854 -1.6854 0.0465 0.0465 0.1720 0.1720 0.3821 0.3821 1.1861 1.1861 1.6677 1.6677 1.9212 1.9212 2.9900 2.9900 3.5766 3.5766 3.6354 3.6354 4.7021 4.7021 4.9158 4.9158 5.4410 5.4410 5.8141 5.8141 6.0030 6.0030 6.3667 6.3667 6.6112 6.6112 6.8729 6.8729 10.2740 10.2740 12.6872 12.6872 13.8151 13.8151 14.6836 14.6836 15.7457 15.7457 k =-0.4934-0.7723 0.1749 ( 3275 PWs) bands (ev): -13.0361 -13.0358 -12.4316 -12.4313 -11.9711 -11.9705 -11.7456 -11.7453 -11.2883 -11.2881 -10.2541 -10.2538 -3.6360 -3.6353 -1.6863 -1.6858 0.0432 0.0495 0.1709 0.1757 0.3780 0.3865 1.1818 1.1864 1.6635 1.6748 1.9215 1.9229 2.9877 2.9920 3.5657 3.5800 3.6310 3.6468 4.7001 4.7027 4.9097 4.9207 5.4378 5.4417 5.8119 5.8217 6.0011 6.0040 6.3639 6.3664 6.6090 6.6165 6.8733 6.8744 10.2618 10.2889 12.6749 12.6990 13.8115 13.8183 14.6728 14.6920 15.7351 15.7534 k =-0.4868-0.7620 0.1726 ( 3277 PWs) bands (ev): -13.0348 -13.0341 -12.4326 -12.4320 -11.9712 -11.9700 -11.7458 -11.7453 -11.2897 -11.2894 -10.2541 -10.2536 -3.6366 -3.6353 -1.6886 -1.6877 0.0394 0.0520 0.1723 0.1818 0.3739 0.3909 1.1737 1.1827 1.6625 1.6845 1.9239 1.9268 2.9852 2.9936 3.5515 3.5733 3.6361 3.6611 4.6966 4.7016 4.9026 4.9245 5.4326 5.4399 5.8147 5.8337 5.9984 6.0042 6.3585 6.3631 6.6099 6.6244 6.8758 6.8780 10.2522 10.3063 12.6620 12.7102 13.8075 13.8211 14.6596 14.6981 15.7216 15.7579 k =-0.4803-0.7517 0.1702 ( 3276 PWs) bands (ev): -13.0324 -13.0313 -12.4342 -12.4334 -11.9712 -11.9694 -11.7460 -11.7453 -11.2920 -11.2914 -10.2539 -10.2532 -3.6376 -3.6355 -1.6921 -1.6907 0.0352 0.0541 0.1762 0.1902 0.3701 0.3956 1.1620 1.1756 1.6644 1.6964 1.9279 1.9327 2.9827 2.9952 3.5357 3.5603 3.6467 3.6764 4.6912 4.6985 4.8950 4.9274 5.4262 5.4359 5.8220 5.8492 5.9949 6.0037 6.3509 6.3574 6.6137 6.6344 6.8802 6.8836 10.2453 10.3261 12.6485 12.7207 13.8031 13.8236 14.6442 14.7021 15.7056 15.7592 k =-0.4737-0.7414 0.1679 ( 3280 PWs) bands (ev): -13.0289 -13.0275 -12.4365 -12.4354 -11.9711 -11.9688 -11.7462 -11.7453 -11.2950 -11.2943 -10.2537 -10.2528 -3.6387 -3.6360 -1.6967 -1.6949 0.0305 0.0556 0.1824 0.2006 0.3665 0.4006 1.1472 1.1654 1.6690 1.7098 1.9334 1.9406 2.9807 2.9969 3.5190 3.5448 3.6593 3.6922 4.6837 4.6926 4.8876 4.9298 5.4197 5.4307 5.8322 5.8663 5.9911 6.0029 6.3421 6.3499 6.6198 6.6459 6.8865 6.8912 10.2411 10.3484 12.6345 12.7304 13.7983 13.8258 14.6265 14.7040 15.6871 15.7572 k =-0.4671-0.7311 0.1656 ( 3284 PWs) bands (ev): -13.0245 -13.0228 -12.4394 -12.4380 -11.9710 -11.9681 -11.7464 -11.7453 -11.2987 -11.2978 -10.2534 -10.2523 -3.6402 -3.6368 -1.7021 -1.6999 0.0254 0.0565 0.1905 0.2127 0.3634 0.4060 1.1300 1.1528 1.6757 1.7239 1.9401 1.9504 2.9795 2.9993 3.5016 3.5279 3.6724 3.7080 4.6735 4.6831 4.8813 4.9320 5.4137 5.4253 5.8436 5.8832 5.9876 6.0025 6.3326 6.3416 6.6277 6.6583 6.8945 6.9007 10.2396 10.3729 12.6199 12.7393 13.7930 13.8278 14.6067 14.7041 15.6664 15.7517 k =-0.4605-0.7208 0.1632 ( 3284 PWs) bands (ev): -13.0191 -13.0170 -12.4431 -12.4414 -11.9708 -11.9675 -11.7465 -11.7453 -11.3030 -11.3020 -10.2531 -10.2518 -3.6419 -3.6380 -1.7082 -1.7056 0.0199 0.0567 0.2001 0.2258 0.3609 0.4119 1.1112 1.1386 1.6837 1.7378 1.9476 1.9621 2.9799 3.0027 3.4837 3.5102 3.6855 3.7237 4.6602 4.6696 4.8769 4.9346 5.4090 5.4205 5.8541 5.8971 5.9857 6.0036 6.3233 6.3333 6.6370 6.6711 6.9043 6.9121 10.2406 10.3995 12.6046 12.7472 13.7874 13.8295 14.5851 14.7027 15.6435 15.7430 k =-0.4539-0.7105 0.1609 ( 3282 PWs) bands (ev): -13.0126 -13.0102 -12.4476 -12.4456 -11.9707 -11.9670 -11.7464 -11.7452 -11.3079 -11.3067 -10.2526 -10.2512 -3.6440 -3.6395 -1.7146 -1.7116 0.0140 0.0562 0.2105 0.2395 0.3592 0.4186 1.0916 1.1237 1.6920 1.7505 1.9559 1.9757 2.9823 3.0077 3.4651 3.4918 3.6986 3.7391 4.6435 4.6517 4.8747 4.9376 5.4058 5.4168 5.8614 5.9053 5.9872 6.0078 6.3146 6.3257 6.6472 6.6839 6.9155 6.9252 10.2443 10.4280 12.5888 12.7540 13.7813 13.8311 14.5619 14.6999 15.6189 15.7310 k =-0.4474-0.7002 0.1586 ( 3282 PWs) bands (ev): -13.0052 -13.0024 -12.4529 -12.4506 -11.9707 -11.9667 -11.7461 -11.7449 -11.3131 -11.3117 -10.2521 -10.2505 -3.6464 -3.6414 -1.7210 -1.7177 0.0078 0.0550 0.2210 0.2527 0.3588 0.4259 1.0721 1.1090 1.6996 1.7609 1.9651 1.9913 2.9874 3.0148 3.4459 3.4730 3.7114 3.7541 4.6234 4.6298 4.8746 4.9412 5.4045 5.4148 5.8638 5.9064 5.9925 6.0162 6.3071 6.3192 6.6580 6.6967 6.9282 6.9399 10.2504 10.4583 12.5723 12.7594 13.7748 13.8326 14.5372 14.6961 15.5925 15.7160 k =-0.4408-0.6899 0.1562 ( 3281 PWs) bands (ev): -12.9969 -12.9937 -12.4592 -12.4566 -11.9709 -11.9666 -11.7455 -11.7444 -11.3186 -11.3170 -10.2516 -10.2499 -3.6492 -3.6437 -1.7272 -1.7235 0.0013 0.0531 0.2308 0.2647 0.3602 0.4339 1.0536 1.0952 1.7051 1.7683 1.9755 2.0087 2.9957 3.0244 3.4262 3.4538 3.7240 3.7686 4.5998 4.6050 4.8762 4.9451 5.4050 5.4148 5.8606 5.9013 6.0011 6.0281 6.3011 6.3141 6.6692 6.7091 6.9421 6.9561 10.2589 10.4900 12.5551 12.7632 13.7679 13.8342 14.5116 14.6916 15.5646 15.6982 k =-0.4342-0.6796 0.1539 ( 3285 PWs) bands (ev): -12.9876 -12.9841 -12.4665 -12.4636 -11.9713 -11.9669 -11.7446 -11.7435 -11.3241 -11.3223 -10.2510 -10.2492 -3.6525 -3.6465 -1.7329 -1.7287 -0.0053 0.0505 0.2392 0.2743 0.3638 0.4421 1.0372 1.0835 1.7078 1.7718 1.9874 2.0278 3.0075 3.0368 3.4059 3.4343 3.7364 3.7826 4.5726 4.5782 4.8789 4.9490 5.4072 5.4166 5.8525 5.8920 6.0116 6.0416 6.2968 6.3107 6.6807 6.7211 6.9572 6.9735 10.2696 10.5230 12.5372 12.7653 13.7606 13.8357 14.4851 14.6868 15.5355 15.6778 k =-0.4276-0.6693 0.1516 ( 3282 PWs) bands (ev): -12.9774 -12.9737 -12.4748 -12.4716 -11.9721 -11.9675 -11.7433 -11.7423 -11.3296 -11.3275 -10.2504 -10.2485 -3.6562 -3.6497 -1.7378 -1.7332 -0.0120 0.0472 0.2454 0.2810 0.3698 0.4503 1.0240 1.0748 1.7067 1.7711 2.0011 2.0481 3.0229 3.0522 3.3852 3.4149 3.7485 3.7960 4.5428 4.5501 4.8819 4.9525 5.4113 5.4204 5.8409 5.8800 6.0229 6.0551 6.2944 6.3088 6.6922 6.7327 6.9732 6.9920 10.2824 10.5569 12.5188 12.7655 13.7529 13.8374 14.4583 14.6819 15.5053 15.6552 k =-0.4211-0.6590 0.1492 ( 3283 PWs) bands (ev): -12.9664 -12.9623 -12.4843 -12.4808 -11.9732 -11.9687 -11.7415 -11.7406 -11.3349 -11.3325 -10.2498 -10.2478 -3.6603 -3.6534 -1.7417 -1.7366 -0.0189 0.0432 0.2488 0.2849 0.3777 0.4578 1.0148 1.0697 1.7016 1.7660 2.0165 2.0692 3.0418 3.0706 3.3644 3.3960 3.7603 3.8088 4.5115 4.5208 4.8847 4.9551 5.4169 5.4259 5.8270 5.8662 6.0342 6.0675 6.2938 6.3085 6.7037 6.7437 6.9902 7.0114 10.2972 10.5913 12.4998 12.7634 13.7447 13.8392 14.4314 14.6772 15.4743 15.6309 k =-0.4145-0.6487 0.1469 ( 3281 PWs) bands (ev): -12.9546 -12.9502 -12.4951 -12.4912 -11.9748 -11.9704 -11.7393 -11.7384 -11.3399 -11.3371 -10.2492 -10.2471 -3.6647 -3.6575 -1.7443 -1.7387 -0.0259 0.0384 0.2490 0.2863 0.3866 0.4643 1.0105 1.0691 1.6927 1.7567 2.0334 2.0905 3.0632 3.0917 3.3439 3.3783 3.7717 3.8207 4.4795 4.4907 4.8865 4.9564 5.4240 5.4330 5.8119 5.8514 6.0448 6.0784 6.2949 6.3095 6.7151 6.7540 7.0078 7.0315 10.3136 10.6260 12.4803 12.7590 13.7361 13.8412 14.4048 14.6731 15.4428 15.6052 k =-0.4079-0.6384 0.1446 ( 3277 PWs) bands (ev): -12.9421 -12.9374 -12.5071 -12.5029 -11.9769 -11.9726 -11.7366 -11.7355 -11.3443 -11.3411 -10.2486 -10.2465 -3.6695 -3.6620 -1.7456 -1.7395 -0.0331 0.0329 0.2460 0.2858 0.3954 0.4694 1.0116 1.0732 1.6803 1.7435 2.0515 2.1114 3.0855 3.1147 3.3250 3.3631 3.7827 3.8319 4.4476 4.4601 4.8869 4.9559 5.4325 5.4415 5.7965 5.8362 6.0545 6.0875 6.2973 6.3117 6.7261 6.7638 7.0260 7.0520 10.3316 10.6605 12.4604 12.7521 13.7270 13.8434 14.3787 14.6699 15.4110 15.5785 k =-0.4013-0.6281 0.1422 ( 3276 PWs) bands (ev): -12.9290 -12.9239 -12.5204 -12.5159 -11.9795 -11.9754 -11.7334 -11.7319 -11.3481 -11.3445 -10.2480 -10.2458 -3.6746 -3.6668 -1.7452 -1.7387 -0.0405 0.0264 0.2400 0.2834 0.4033 0.4732 1.0183 1.0823 1.6651 1.7271 2.0702 2.1316 3.1060 3.1378 3.3097 3.3526 3.7933 3.8422 4.4163 4.4295 4.8855 4.9532 5.4421 5.4512 5.7812 5.8211 6.0630 6.0951 6.3007 6.3147 6.7367 6.7728 7.0446 7.0728 10.3507 10.6944 12.4404 12.7425 13.7174 13.8457 14.3536 14.6677 15.3792 15.5512 k =-0.3947-0.6178 0.1399 ( 3281 PWs) bands (ev): -12.9153 -12.9099 -12.5350 -12.5302 -11.9827 -11.9789 -11.7296 -11.7278 -11.3510 -11.3470 -10.2474 -10.2452 -3.6800 -3.6719 -1.7433 -1.7362 -0.0482 0.0188 0.2316 0.2791 0.4098 0.4763 1.0302 1.0960 1.6477 1.7081 2.0890 2.1507 3.1207 3.1561 3.3029 3.3499 3.8032 3.8514 4.3861 4.3995 4.8819 4.9479 5.4527 5.4618 5.7666 5.8063 6.0705 6.1012 6.3049 6.3183 6.7468 6.7810 7.0633 7.0936 10.3709 10.7272 12.4202 12.7302 13.7074 13.8481 14.3297 14.6668 15.3477 15.5238 k =-0.3882-0.6075 0.1376 ( 3277 PWs) bands (ev): -12.9012 -12.8955 -12.5507 -12.5456 -11.9863 -11.9828 -11.7252 -11.7230 -11.3530 -11.3486 -10.2468 -10.2446 -3.6854 -3.6772 -1.7397 -1.7321 -0.0564 0.0097 0.2215 0.2726 0.4147 0.4792 1.0469 1.1138 1.6291 1.6872 2.1075 2.1685 3.1260 3.1628 3.3114 3.3584 3.8126 3.8596 4.3574 4.3704 4.8759 4.9400 5.4641 5.4732 5.7530 5.7923 6.0771 6.1062 6.3096 6.3225 6.7563 6.7885 7.0820 7.1141 10.3917 10.7584 12.4002 12.7152 13.6968 13.8506 14.3073 14.6673 15.3169 15.4967 k =-0.3816-0.5972 0.1352 ( 3274 PWs) bands (ev): -12.8871 -12.8811 -12.5675 -12.5620 -11.9905 -11.9874 -11.7203 -11.7177 -11.3540 -11.3491 -10.2463 -10.2441 -3.6908 -3.6825 -1.7343 -1.7263 -0.0653 -0.0010 0.2104 0.2643 0.4184 0.4824 1.0671 1.1346 1.6102 1.6653 2.1254 2.1850 3.1209 3.1552 3.3368 3.3789 3.8212 3.8667 4.3305 4.3427 4.8672 4.9291 5.4762 5.4852 5.7407 5.7793 6.0828 6.1103 6.3144 6.3269 6.7651 6.7951 7.1005 7.1343 10.4129 10.7876 12.3805 12.6976 13.6857 13.8529 14.2867 14.6694 15.2871 15.4703 k =-0.3750-0.5869 0.1329 ( 3274 PWs) bands (ev): -12.8731 -12.8668 -12.5850 -12.5792 -11.9952 -11.9924 -11.7149 -11.7118 -11.3538 -11.3484 -10.2458 -10.2436 -3.6961 -3.6877 -1.7273 -1.7188 -0.0752 -0.0139 0.1991 0.2544 0.4210 0.4862 1.0897 1.1572 1.5922 1.6434 2.1426 2.2001 3.1070 3.1379 3.3740 3.4096 3.8290 3.8725 4.3057 4.3168 4.8558 4.9153 5.4887 5.4975 5.7298 5.7675 6.0879 6.1137 6.3193 6.3315 6.7731 6.8009 7.1186 7.1539 10.4342 10.8142 12.3612 12.6776 13.6741 13.8549 14.2679 14.6730 15.2586 15.4450 k =-0.3684-0.5766 0.1306 ( 3276 PWs) bands (ev): -12.8598 -12.8534 -12.6027 -12.5967 -12.0004 -11.9979 -11.7091 -11.7056 -11.3523 -11.3466 -10.2453 -10.2431 -3.7011 -3.6928 -1.7186 -1.7097 -0.0864 -0.0293 0.1882 0.2437 0.4229 0.4909 1.1132 1.1800 1.5764 1.6226 2.1590 2.2139 3.0870 3.1152 3.4174 3.4474 3.8362 3.8772 4.2829 4.2932 4.8418 4.8987 5.5013 5.5098 5.7204 5.7568 6.0924 6.1167 6.3241 6.3362 6.7803 6.8057 7.1361 7.1726 10.4551 10.8378 12.3424 12.6553 13.6619 13.8565 14.2513 14.6782 15.2317 15.4211 k =-0.3618-0.5663 0.1282 ( 3276 PWs) bands (ev): -12.8480 -12.8415 -12.6198 -12.6136 -12.0061 -12.0038 -11.7028 -11.6990 -11.3496 -11.3434 -10.2449 -10.2426 -3.7057 -3.6974 -1.7083 -1.6990 -0.0993 -0.0473 0.1783 0.2329 0.4245 0.4965 1.1357 1.2014 1.5640 1.6042 2.1745 2.2265 3.0631 3.0896 3.4640 3.4900 3.8428 3.8809 4.2620 4.2724 4.8252 4.8794 5.5139 5.5221 5.7123 5.7475 6.0966 6.1194 6.3288 6.3409 6.7866 6.8097 7.1529 7.1904 10.4754 10.8578 12.3241 12.6312 13.6492 13.8574 14.2371 14.6848 15.2067 15.3991 k =-0.3553-0.5560 0.1259 ( 3276 PWs) bands (ev): -12.8390 -12.8327 -12.6349 -12.6287 -12.0122 -12.0101 -11.6962 -11.6921 -11.3455 -11.3389 -10.2445 -10.2422 -3.7098 -3.7016 -1.6966 -1.6869 -0.1141 -0.0680 0.1698 0.2228 0.4261 0.5028 1.1551 1.2195 1.5564 1.5902 2.1894 2.2381 3.0368 3.0620 3.5114 3.5353 3.8493 3.8840 4.2428 4.2549 4.8063 4.8576 5.5263 5.5341 5.7056 5.7393 6.1006 6.1218 6.3333 6.3458 6.7920 6.8128 7.1687 7.2071 10.4947 10.8741 12.3064 12.6058 13.6360 13.8574 14.2253 14.6927 15.1841 15.3792 k =-0.3487-0.5457 0.1236 ( 3275 PWs) bands (ev): -12.8344 -12.8288 -12.6462 -12.6403 -12.0187 -12.0167 -11.6892 -11.6849 -11.3400 -11.3331 -10.2442 -10.2418 -3.7130 -3.7051 -1.6834 -1.6734 -0.1310 -0.0912 0.1629 0.2140 0.4277 0.5099 1.1693 1.2330 1.5538 1.5831 2.2036 2.2488 3.0090 3.0333 3.5576 3.5821 3.8564 3.8868 4.2254 4.2404 4.7852 4.8337 5.5382 5.5456 5.7001 5.7323 6.1044 6.1240 6.3377 6.3508 6.7963 6.8149 7.1835 7.2226 10.5127 10.8861 12.2890 12.5794 13.6222 13.8564 14.2163 14.7017 15.1640 15.3618 k =-0.3421-0.5354 0.1213 ( 3271 PWs) bands (ev): -12.8362 -12.8318 -12.6515 -12.6463 -12.0257 -12.0235 -11.6820 -11.6775 -11.3331 -11.3259 -10.2439 -10.2414 -3.7154 -3.7077 -1.6691 -1.6588 -0.1503 -0.1168 0.1576 0.2071 0.4294 0.5177 1.1765 1.2410 1.5554 1.5856 2.2174 2.2590 2.9801 3.0038 3.6009 3.6291 3.8648 3.8903 4.2098 4.2286 4.7623 4.8081 5.5493 5.5563 5.6957 5.7264 6.1081 6.1260 6.3421 6.3560 6.7996 6.8160 7.1972 7.2368 10.5289 10.8939 12.2717 12.5528 13.6079 13.8542 14.2100 14.7114 15.1466 15.3471 k =-0.3355-0.5251 0.1189 ( 3272 PWs) bands (ev): -12.8456 -12.8427 -12.6500 -12.6456 -12.0331 -12.0306 -11.6746 -11.6700 -11.3249 -11.3173 -10.2436 -10.2410 -3.7168 -3.7094 -1.6536 -1.6430 -0.1718 -0.1442 0.1540 0.2021 0.4313 0.5262 1.1762 1.2431 1.5612 1.5979 2.2308 2.2688 2.9506 2.9739 3.6393 3.6747 3.8753 3.8962 4.1963 4.2191 4.7379 4.7811 5.5595 5.5662 5.6923 5.7214 6.1118 6.1278 6.3465 6.3614 6.8018 6.8162 7.2097 7.2497 10.5431 10.8971 12.2541 12.5264 13.5931 13.8506 14.2067 14.7217 15.1323 15.3353 k =-0.3289-0.5149 0.1166 ( 3275 PWs) bands (ev): -12.8623 -12.8609 -12.6423 -12.6383 -12.0408 -12.0380 -11.6670 -11.6624 -11.3153 -11.3074 -10.2433 -10.2406 -3.7169 -3.7100 -1.6371 -1.6263 -0.1954 -0.1731 0.1518 0.1989 0.4336 0.5354 1.1693 1.2397 1.5721 1.6171 2.2439 2.2783 2.9208 2.9436 3.6711 3.7173 3.8876 3.9076 4.1845 4.2115 4.7125 4.7531 5.5685 5.5749 5.6898 5.7173 6.1153 6.1293 6.3511 6.3671 6.8027 6.8153 7.2211 7.2612 10.5550 10.8959 12.2358 12.5007 13.5778 13.8457 14.2062 14.7321 15.1211 15.3267 k =-0.3224-0.5046 0.1143 ( 3272 PWs) bands (ev): -12.8851 -12.8845 -12.6297 -12.6258 -12.0487 -12.0456 -11.6593 -11.6547 -11.3044 -11.2963 -10.2430 -10.2402 -3.7156 -3.7092 -1.6198 -1.6089 -0.2209 -0.2031 0.1510 0.1974 0.4363 0.5452 1.1573 1.2315 1.5879 1.6407 2.2568 2.2879 2.8910 2.9133 3.6956 3.7543 3.9017 3.9271 4.1745 4.2054 4.6864 4.7247 5.5760 5.5825 5.6881 5.7139 6.1186 6.1305 6.3558 6.3732 6.8024 6.8136 7.2314 7.2713 10.5643 10.8904 12.2165 12.4764 13.5619 13.8396 14.2085 14.7423 15.1132 15.3212 k =-0.3158-0.4943 0.1119 ( 3271 PWs) bands (ev): -12.9128 -12.9117 -12.6139 -12.6097 -12.0569 -12.0534 -11.6515 -11.6469 -11.2922 -11.2839 -10.2427 -10.2398 -3.7129 -3.7070 -1.6018 -1.5908 -0.2479 -0.2338 0.1514 0.1971 0.4396 0.5558 1.1419 1.2198 1.6071 1.6663 2.2696 2.2975 2.8614 2.8832 3.7133 3.7838 3.9198 3.9536 4.1660 4.2005 4.6603 4.6963 5.5817 5.5887 5.6871 5.7111 6.1217 6.1315 6.3608 6.3796 6.8008 6.8109 7.2406 7.2802 10.5706 10.8808 12.1958 12.4536 13.5456 13.8323 14.2137 14.7521 15.1083 15.3189 k =-0.3092-0.4840 0.1096 ( 3273 PWs) bands (ev): -12.9437 -12.9418 -12.5957 -12.5913 -12.0653 -12.0614 -11.6435 -11.6390 -11.2789 -11.2704 -10.2424 -10.2393 -3.7086 -3.7033 -1.5832 -1.5722 -0.2762 -0.2648 0.1528 0.1977 0.4436 0.5671 1.1246 1.2058 1.6283 1.6925 2.2820 2.3073 2.8323 2.8533 3.7258 3.8050 3.9430 3.9840 4.1590 4.1967 4.6345 4.6687 5.5854 5.5934 5.6867 5.7090 6.1244 6.1322 6.3660 6.3862 6.7978 6.8074 7.2488 7.2878 10.5739 10.8673 12.1738 12.4323 13.5289 13.8240 14.2215 14.7614 15.1065 15.3198 k =-0.3026-0.4737 0.1073 ( 3270 PWs) bands (ev): -12.9768 -12.9743 -12.5760 -12.5715 -12.0737 -12.0695 -11.6355 -11.6311 -11.2644 -11.2557 -10.2421 -10.2389 -3.7025 -3.6979 -1.5643 -1.5533 -0.3055 -0.2957 0.1549 0.1986 0.4487 0.5792 1.1062 1.1905 1.6501 1.7180 2.2939 2.3172 2.8040 2.8241 3.7351 3.8197 3.9694 4.0154 4.1536 4.1939 4.6099 4.6423 5.5870 5.5963 5.6867 5.7075 6.1267 6.1326 6.3714 6.3928 6.7936 6.8030 7.2561 7.2942 10.5740 10.8504 12.1505 12.4123 13.5118 13.8150 14.2317 14.7699 15.1075 15.3236 k =-0.2961-0.4634 0.1049 ( 3269 PWs) bands (ev): -13.0114 -13.0085 -12.5553 -12.5507 -12.0822 -12.0777 -11.6273 -11.6230 -11.2489 -11.2401 -10.2418 -10.2384 -3.6945 -3.6907 -1.5452 -1.5342 -0.3353 -0.3264 0.1574 0.1996 0.4551 0.5922 1.0877 1.1750 1.6715 1.7422 2.3049 2.3271 2.7768 2.7955 3.7426 3.8307 3.9954 4.0451 4.1504 4.1927 4.5870 4.6179 5.5866 5.5973 5.6867 5.7066 6.1285 6.1329 6.3767 6.3992 6.7882 6.7978 7.2627 7.2996 10.5708 10.8302 12.1263 12.3934 13.4944 13.8056 14.2441 14.7778 15.1109 15.3301 k =-0.2895-0.4531 0.1026 ( 3272 PWs) bands (ev): -13.0473 -13.0440 -12.5341 -12.5295 -12.0906 -12.0859 -11.6191 -11.6149 -11.2325 -11.2236 -10.2414 -10.2379 -3.6846 -3.6816 -1.5260 -1.5150 -0.3653 -0.3567 0.1600 0.2002 0.4630 0.6061 1.0694 1.1596 1.6918 1.7644 2.3146 2.3366 2.7510 2.7680 3.7492 3.8397 4.0176 4.0702 4.1510 4.1938 4.5666 4.5962 5.5842 5.5962 5.6867 5.7062 6.1295 6.1332 6.3818 6.4051 6.7819 6.7919 7.2685 7.3040 10.5644 10.8073 12.1015 12.3749 13.4767 13.7959 14.2585 14.7849 15.1164 15.3390 k =-0.2829-0.4428 0.1003 ( 3277 PWs) bands (ev): -13.0842 -13.0805 -12.5127 -12.5082 -12.0988 -12.0939 -11.6107 -11.6067 -11.2152 -11.2062 -10.2410 -10.2374 -3.6728 -3.6706 -1.5070 -1.4961 -0.3952 -0.3864 0.1623 0.2004 0.4727 0.6211 1.0519 1.1448 1.7107 1.7845 2.3223 2.3452 2.7270 2.7418 3.7555 3.8475 4.0337 4.0869 4.1578 4.1986 4.5495 4.5780 5.5796 5.5929 5.6864 5.7062 6.1300 6.1336 6.3862 6.4101 6.7750 6.7855 7.2738 7.3075 10.5546 10.7820 12.0766 12.3565 13.4588 13.7862 14.2745 14.7916 15.1236 15.3499 k =-0.2763-0.4325 0.0979 ( 3278 PWs) bands (ev): -13.1217 -13.1178 -12.4913 -12.4871 -12.1066 -12.1017 -11.6023 -11.5983 -11.1971 -11.1881 -10.2405 -10.2368 -3.6589 -3.6573 -1.4881 -1.4774 -0.4246 -0.4154 0.1640 0.1998 0.4844 0.6371 1.0353 1.1308 1.7278 1.8022 2.3275 2.3525 2.7053 2.7174 3.7613 3.8540 4.0429 4.0939 4.1711 4.2078 4.5362 4.5638 5.5731 5.5872 5.6857 5.7064 6.1300 6.1341 6.3895 6.4136 6.7679 6.7788 7.2786 7.3102 10.5417 10.7548 12.0520 12.3376 13.4408 13.7766 14.2919 14.7979 15.1321 15.3625 k =-0.2697-0.4222 0.0956 ( 3279 PWs) bands (ev): -13.1598 -13.1557 -12.4704 -12.4666 -12.1138 -12.1091 -11.5937 -11.5899 -11.1783 -11.1693 -10.2400 -10.2361 -3.6432 -3.6416 -1.4698 -1.4592 -0.4533 -0.4435 0.1648 0.1985 0.4981 0.6541 1.0199 1.1178 1.7432 1.8177 2.3296 2.3578 2.6863 2.6951 3.7661 3.8585 4.0468 4.0939 4.1877 4.2213 4.5273 4.5541 5.5644 5.5791 5.6846 5.7066 6.1299 6.1344 6.3910 6.4151 6.7611 6.7721 7.2830 7.3122 10.5258 10.7261 12.0280 12.3181 13.4227 13.7674 14.3104 14.8041 15.1415 15.3764 k =-0.2632-0.4119 0.0933 ( 3283 PWs) bands (ev): -13.1983 -13.1940 -12.4503 -12.4469 -12.1201 -12.1158 -11.5850 -11.5812 -11.1589 -11.1499 -10.2394 -10.2354 -3.6256 -3.6233 -1.4520 -1.4417 -0.4809 -0.4706 0.1643 0.1967 0.5140 0.6723 1.0059 1.1059 1.7568 1.8310 2.3281 2.3603 2.6698 2.6759 3.7692 3.8595 4.0481 4.0905 4.2048 4.2375 4.5229 4.5490 5.5536 5.5685 5.6830 5.7067 6.1297 6.1346 6.3901 6.4139 6.7549 6.7659 7.2871 7.3136 10.5071 10.6964 12.0047 12.2975 13.4048 13.7586 14.3295 14.8103 15.1515 15.3912 k =-0.2566-0.4016 0.0909 ( 3282 PWs) bands (ev): -13.2369 -13.2325 -12.4314 -12.4286 -12.1253 -12.1215 -11.5761 -11.5724 -11.1390 -11.1301 -10.2387 -10.2345 -3.6059 -3.6027 -1.4351 -1.4249 -0.5073 -0.4964 0.1623 0.1943 0.5319 0.6915 0.9934 1.0951 1.7688 1.8422 2.3227 2.3595 2.6550 2.6612 3.7693 3.8554 4.0496 4.0862 4.2214 4.2551 4.5230 4.5484 5.5404 5.5555 5.6811 5.7063 6.1297 6.1346 6.3862 6.4097 6.7499 6.7606 7.2909 7.3143 10.4858 10.6662 11.9824 12.2759 13.3869 13.7503 14.3490 14.8168 15.1619 15.4066 k =-0.2500-0.3913 0.0886 ( 3281 PWs) bands (ev): -13.2757 -13.2712 -12.4143 -12.4118 -12.1290 -12.1260 -11.5670 -11.5633 -11.1187 -11.1098 -10.2379 -10.2337 -3.5840 -3.5797 -1.4192 -1.4092 -0.5321 -0.5207 0.1588 0.1916 0.5517 0.7116 0.9825 1.0853 1.7793 1.8515 2.3135 2.3550 2.6419 2.6513 3.7653 3.8451 4.0531 4.0829 4.2375 4.2737 4.5271 4.5519 5.5249 5.5400 5.6788 5.7056 6.1298 6.1344 6.3788 6.4019 6.7464 6.7567 7.2944 7.3144 10.4621 10.6361 11.9610 12.2532 13.3692 13.7423 14.3685 14.8238 15.1724 15.4223 k =-0.2434-0.3810 0.0863 ( 3279 PWs) bands (ev): -13.3144 -13.3098 -12.3996 -12.3969 -12.1309 -12.1288 -11.5578 -11.5540 -11.0979 -11.0892 -10.2370 -10.2327 -3.5599 -3.5544 -1.4045 -1.3947 -0.5552 -0.5433 0.1540 0.1886 0.5734 0.7324 0.9733 1.0766 1.7884 1.8590 2.3008 2.3467 2.6314 2.6448 3.7562 3.8284 4.0585 4.0823 4.2536 4.2930 4.5348 4.5590 5.5068 5.5222 5.6760 5.7042 6.1299 6.1341 6.3677 6.3905 6.7445 6.7543 7.2976 7.3140 10.4362 10.6065 11.9407 12.2294 13.3517 13.7348 14.3878 14.8316 15.1828 15.4381 k =-0.2368-0.3707 0.0839 ( 3284 PWs) bands (ev): -13.3530 -13.3483 -12.3879 -12.3843 -12.1308 -12.1292 -11.5482 -11.5445 -11.0769 -11.0683 -10.2360 -10.2316 -3.5336 -3.5268 -1.3912 -1.3816 -0.5763 -0.5640 0.1479 0.1852 0.5965 0.7534 0.9662 1.0689 1.7962 1.8647 2.2854 2.3348 2.6237 2.6410 3.7418 3.8060 4.0645 4.0855 4.2701 4.3134 4.5455 4.5692 5.4859 5.5022 5.6727 5.7021 6.1300 6.1336 6.3528 6.3755 6.7443 6.7535 7.3003 7.3129 10.4084 10.5780 11.9214 12.2046 13.3345 13.7275 14.4066 14.8404 15.1931 15.4538 k =-0.2303-0.3604 0.0816 ( 3287 PWs) bands (ev): -13.3913 -13.3867 -12.3794 -12.3743 -12.1289 -12.1266 -11.5384 -11.5346 -11.0557 -11.0472 -10.2349 -10.2305 -3.5049 -3.4969 -1.3796 -1.3701 -0.5952 -0.5825 0.1410 0.1814 0.6209 0.7740 0.9614 1.0621 1.8029 1.8685 2.2681 2.3199 2.6184 2.6392 3.7221 3.7792 4.0699 4.0926 4.2872 4.3346 4.5589 4.5822 5.4622 5.4800 5.6690 5.6993 6.1295 6.1327 6.3347 6.3573 6.7455 6.7544 7.3023 7.3113 10.3792 10.5510 11.9029 12.1791 13.3175 13.7203 14.4247 14.8504 15.2031 15.4692 k =-0.2237-0.3501 0.0793 ( 3288 PWs) bands (ev): -13.4294 -13.4247 -12.3741 -12.3675 -12.1247 -12.1212 -11.5283 -11.5244 -11.0342 -11.0259 -10.2337 -10.2293 -3.4741 -3.4648 -1.3699 -1.3605 -0.6116 -0.5987 0.1335 0.1773 0.6462 0.7933 0.9597 1.0565 1.8083 1.8703 2.2498 2.3028 2.6150 2.6389 3.6981 3.7490 4.0748 4.1020 4.3050 4.3563 4.5748 4.5977 5.4357 5.4558 5.6647 5.6955 6.1279 6.1315 6.3141 6.3365 6.7480 6.7566 7.3032 7.3096 10.3490 10.5257 11.8853 12.1529 13.3007 13.7130 14.4420 14.8618 15.2128 15.4842 k =-0.2171-0.3398 0.0769 ( 3283 PWs) bands (ev): -13.4671 -13.4623 -12.3720 -12.3638 -12.1182 -12.1132 -11.5178 -11.5138 -11.0127 -11.0046 -10.2324 -10.2280 -3.4410 -3.4304 -1.3623 -1.3529 -0.6254 -0.6123 0.1258 0.1728 0.6720 0.8101 0.9620 1.0520 1.8125 1.8699 2.2314 2.2845 2.6132 2.6398 3.6705 3.7164 4.0796 4.1120 4.3231 4.3778 4.5931 4.6159 5.4064 5.4298 5.6598 5.6907 6.1239 6.1293 6.2925 6.3144 6.7513 6.7597 7.3020 7.3085 10.3183 10.5024 11.8685 12.1263 13.2843 13.7054 14.4585 14.8746 15.2222 15.4986 k =-0.2105-0.3295 0.0746 ( 3282 PWs) bands (ev): -13.5042 -13.4995 -12.3726 -12.3630 -12.1095 -12.1032 -11.5068 -11.5027 -10.9912 -10.9833 -10.2311 -10.2266 -3.4057 -3.3938 -1.3568 -1.3475 -0.6364 -0.6231 0.1181 0.1682 0.6978 0.8230 0.9693 1.0488 1.8153 1.8667 2.2139 2.2657 2.6123 2.6416 3.6404 3.6822 4.0847 4.1216 4.3412 4.3982 4.6135 4.6366 5.3744 5.4020 5.6542 5.6848 6.1164 6.1249 6.2718 6.2923 6.7551 6.7636 7.2987 7.3081 10.2877 10.4811 11.8524 12.0996 13.2681 13.6972 14.4742 14.8889 15.2313 15.5123 k =-0.2039-0.3192 0.0723 ( 3282 PWs) bands (ev): -13.5409 -13.5362 -12.3756 -12.3649 -12.0991 -12.0917 -11.4954 -11.4913 -10.9696 -10.9620 -10.2296 -10.2251 -3.3682 -3.3551 -1.3537 -1.3444 -0.6444 -0.6311 0.1105 0.1635 0.7228 0.8312 0.9820 1.0474 1.8163 1.8606 2.1979 2.2475 2.6122 2.6440 3.6087 3.6470 4.0898 4.1305 4.3585 4.4168 4.6356 4.6600 5.3401 5.3727 5.6480 5.6777 6.1036 6.1166 6.2545 6.2725 6.7591 6.7677 7.2940 7.3074 10.2578 10.4619 11.8368 12.0729 13.2522 13.6883 14.4895 14.9045 15.2401 15.5252 k =-0.1974-0.3089 0.0700 ( 3284 PWs) bands (ev): -13.5769 -13.5723 -12.3805 -12.3689 -12.0874 -12.0792 -11.4835 -11.4793 -10.9482 -10.9408 -10.2281 -10.2236 -3.3287 -3.3144 -1.3530 -1.3437 -0.6494 -0.6362 0.1034 0.1589 0.7462 0.8352 0.9994 1.0483 1.8152 1.8512 2.1841 2.2309 2.6125 2.6471 3.5760 3.6114 4.0950 4.1385 4.3745 4.4332 4.6588 4.6855 5.3036 5.3422 5.6409 5.6693 6.0841 6.1024 6.2427 6.2573 6.7629 6.7718 7.2883 7.3059 10.2291 10.4448 11.8218 12.0464 13.2365 13.6784 14.5044 14.9213 15.2487 15.5371 k =-0.1908-0.2986 0.0676 ( 3281 PWs) bands (ev): -13.6123 -13.6077 -12.3870 -12.3747 -12.0750 -12.0661 -11.4711 -11.4668 -10.9268 -10.9197 -10.2265 -10.2220 -3.2872 -3.2716 -1.3546 -1.3454 -0.6515 -0.6384 0.0969 0.1545 0.7670 0.8358 1.0199 1.0525 1.8109 1.8388 2.1727 2.2170 2.6132 2.6506 3.5430 3.5758 4.1002 4.1456 4.3888 4.4473 4.6820 4.7125 5.2656 5.3109 5.6330 5.6594 6.0578 6.0811 6.2372 6.2482 6.7664 6.7756 7.2819 7.3035 10.2019 10.4298 11.8073 12.0205 13.2213 13.6674 14.5194 14.9388 15.2570 15.5477 k =-0.1842-0.2883 0.0653 ( 3277 PWs) bands (ev): -13.6469 -13.6423 -12.3945 -12.3817 -12.0622 -12.0529 -11.4581 -11.4537 -10.9056 -10.8988 -10.2248 -10.2204 -3.2437 -3.2270 -1.3585 -1.3494 -0.6506 -0.6378 0.0911 0.1504 0.7836 0.8346 1.0407 1.0620 1.8017 1.8248 2.1638 2.2068 2.6140 2.6547 3.5104 3.5408 4.1056 4.1519 4.4013 4.4593 4.7039 4.7397 5.2264 5.2794 5.6241 5.6480 6.0260 6.0532 6.2372 6.2453 6.7692 6.7790 7.2748 7.3002 10.1769 10.4168 11.7934 11.9952 13.2064 13.6552 14.5346 14.9567 15.2652 15.5567 k =-0.1776-0.2780 0.0630 ( 3269 PWs) bands (ev): -13.6807 -13.6762 -12.4028 -12.3898 -12.0496 -12.0399 -11.4446 -11.4401 -10.8847 -10.8781 -10.2231 -10.2187 -3.1984 -3.1807 -1.3646 -1.3556 -0.6471 -0.6345 0.0862 0.1467 0.7945 0.8333 1.0587 1.0795 1.7855 1.8112 2.1573 2.2010 2.6150 2.6592 3.4785 3.5067 4.1110 4.1576 4.4119 4.4698 4.7227 4.7658 5.1870 5.2487 5.6141 5.6349 5.9904 6.0205 6.2415 6.2475 6.7713 6.7817 7.2672 7.2960 10.1542 10.4057 11.7798 11.9708 13.1919 13.6417 14.5503 14.9746 15.2731 15.5636 k =-0.1711-0.2677 0.0606 ( 3272 PWs) bands (ev): -13.7137 -13.7093 -12.4117 -12.3985 -12.0372 -12.0274 -11.4305 -11.4260 -10.8640 -10.8577 -10.2214 -10.2170 -3.1515 -3.1327 -1.3726 -1.3637 -0.6410 -0.6288 0.0822 0.1436 0.7981 0.8333 1.0754 1.1023 1.7628 1.7978 2.1532 2.1999 2.6159 2.6643 3.4480 3.4738 4.1163 4.1625 4.4209 4.4790 4.7364 4.7888 5.1485 5.2196 5.6027 5.6200 5.9524 5.9845 6.2490 6.2537 6.7725 6.7835 7.2592 7.2909 10.1340 10.3964 11.7668 11.9474 13.1780 13.6270 14.5666 14.9918 15.2808 15.5679 k =-0.1645-0.2574 0.0583 ( 3269 PWs) bands (ev): -13.7458 -13.7415 -12.4211 -12.4078 -12.0255 -12.0155 -11.4158 -11.4113 -10.8436 -10.8376 -10.2197 -10.2153 -3.1029 -3.0831 -1.3823 -1.3736 -0.6326 -0.6209 0.0793 0.1411 0.7955 0.8339 1.0942 1.1263 1.7359 1.7830 2.1520 2.2028 2.6168 2.6697 3.4193 3.4426 4.1217 4.1667 4.4284 4.4874 4.7431 4.8068 5.1126 5.1934 5.5898 5.6031 5.9134 5.9470 6.2590 6.2633 6.7727 6.7845 7.2512 7.2852 10.1167 10.3888 11.7543 11.9252 13.1647 13.6112 14.5837 15.0077 15.2880 15.5690 k =-0.1579-0.2471 0.0560 ( 3268 PWs) bands (ev): -13.7769 -13.7728 -12.4306 -12.4173 -12.0144 -12.0044 -11.4007 -11.3961 -10.8235 -10.8178 -10.2180 -10.2137 -3.0528 -3.0323 -1.3935 -1.3850 -0.6223 -0.6110 0.0774 0.1393 0.7891 0.8334 1.1154 1.1496 1.7063 1.7664 2.1537 2.2092 2.6176 2.6756 3.3926 3.4134 4.1268 4.1702 4.4347 4.4951 4.7409 4.8172 5.0816 5.1711 5.5745 5.5842 5.8743 5.9091 6.2710 6.2756 6.7721 6.7846 7.2431 7.2789 10.1022 10.3827 11.7424 11.9042 13.1522 13.5944 14.6016 15.0218 15.2944 15.5660 k =-0.1513-0.2368 0.0536 ( 3266 PWs) bands (ev): -13.8071 -13.8030 -12.4402 -12.4271 -12.0042 -11.9942 -11.3850 -11.3805 -10.8039 -10.7985 -10.2163 -10.2120 -3.0014 -2.9802 -1.4059 -1.3976 -0.6104 -0.5994 0.0766 0.1383 0.7806 0.8310 1.1382 1.1712 1.6751 1.7482 2.1586 2.2184 2.6181 2.6817 3.3686 3.3867 4.1316 4.1729 4.4398 4.5024 4.7291 4.8174 5.0578 5.1532 5.5557 5.5635 5.8362 5.8721 6.2847 6.2902 6.7705 6.7837 7.2353 7.2722 10.0905 10.3779 11.7310 11.8847 13.1406 13.5768 14.6200 15.0332 15.2997 15.5581 k =-0.1447-0.2265 0.0513 ( 3269 PWs) bands (ev): -13.8363 -13.8323 -12.4499 -12.4369 -11.9948 -11.9849 -11.3690 -11.3645 -10.7846 -10.7795 -10.2146 -10.2104 -2.9489 -2.9270 -1.4192 -1.4112 -0.5970 -0.5865 0.0769 0.1379 0.7709 0.8266 1.1615 1.1902 1.6429 1.7292 2.1665 2.2298 2.6185 2.6882 3.3474 3.3629 4.1358 4.1746 4.4436 4.5090 4.7082 4.8065 5.0425 5.1392 5.5321 5.5411 5.8001 5.8372 6.3000 6.3066 6.7682 6.7819 7.2279 7.2654 10.0817 10.3743 11.7204 11.8665 13.1299 13.5586 14.6389 15.0412 15.3030 15.5448 k =-0.1382-0.2162 0.0490 ( 3268 PWs) bands (ev): -13.8644 -13.8605 -12.4594 -12.4467 -11.9864 -11.9766 -11.3527 -11.3483 -10.7659 -10.7610 -10.2130 -10.2089 -2.8955 -2.8730 -1.4333 -1.4254 -0.5824 -0.5724 0.0783 0.1381 0.7604 0.8206 1.1842 1.2059 1.6107 1.7100 2.1771 2.2430 2.6185 2.6947 3.3295 3.3423 4.1393 4.1752 4.4457 4.5141 4.6803 4.7865 5.0342 5.1278 5.5040 5.5157 5.7670 5.8052 6.3166 6.3244 6.7652 6.7794 7.2212 7.2588 10.0756 10.3715 11.7105 11.8498 13.1204 13.5402 14.6580 15.0449 15.3035 15.5261 k =-0.1316-0.2059 0.0466 ( 3272 PWs) bands (ev): -13.8914 -13.8877 -12.4688 -12.4564 -11.9788 -11.9693 -11.3362 -11.3318 -10.7476 -10.7430 -10.2115 -10.2075 -2.8412 -2.8184 -1.4479 -1.4402 -0.5670 -0.5574 0.0806 0.1390 0.7494 0.8135 1.2045 1.2182 1.5795 1.6916 2.1903 2.2576 2.6182 2.7012 3.3152 3.3255 4.1418 4.1745 4.4450 4.5161 4.6489 4.7615 5.0297 5.1176 5.4721 5.4861 5.7375 5.7770 6.3341 6.3430 6.7619 6.7762 7.2153 7.2525 10.0721 10.3695 11.7015 11.8346 13.1121 13.5216 14.6768 15.0435 15.2997 15.5032 k =-0.1250-0.1956 0.0443 ( 3271 PWs) bands (ev): -13.9172 -13.9137 -12.4780 -12.4659 -11.9722 -11.9628 -11.3195 -11.3152 -10.7298 -10.7255 -10.2101 -10.2061 -2.7864 -2.7634 -1.4627 -1.4552 -0.5508 -0.5417 0.0837 0.1403 0.7382 0.8056 1.2182 1.2291 1.5504 1.6746 2.2057 2.2733 2.6177 2.7077 3.3046 3.3127 4.1430 4.1722 4.4400 4.5113 4.6197 4.7365 5.0258 5.1072 5.4369 5.4520 5.7121 5.7524 6.3522 6.3620 6.7584 6.7727 7.2102 7.2467 10.0710 10.3680 11.6935 11.8208 13.1052 13.5033 14.6948 15.0361 15.2902 15.4784 k =-0.1184-0.1853 0.0420 ( 3267 PWs) bands (ev): -13.9419 -13.9385 -12.4869 -12.4752 -11.9663 -11.9572 -11.3029 -11.2987 -10.7126 -10.7086 -10.2088 -10.2049 -2.7313 -2.7082 -1.4777 -1.4704 -0.5341 -0.5255 0.0875 0.1419 0.7270 0.7973 1.2216 1.2404 1.5248 1.6596 2.2231 2.2899 2.6170 2.7140 3.2981 3.3043 4.1424 4.1681 4.4284 4.4947 4.5996 4.7161 5.0204 5.0956 5.3988 5.4144 5.6905 5.7312 6.3704 6.3809 6.7553 6.7692 7.2062 7.2418 10.0721 10.3668 11.6864 11.8084 13.0997 13.4853 14.7115 15.0218 15.2739 15.4544 k =-0.1118-0.1750 0.0396 ( 3268 PWs) bands (ev): -13.9655 -13.9622 -12.4955 -12.4842 -11.9613 -11.9525 -11.2863 -11.2822 -10.6960 -10.6922 -10.2076 -10.2038 -2.6762 -2.6531 -1.4926 -1.4854 -0.5170 -0.5089 0.0917 0.1436 0.7161 0.7888 1.2179 1.2475 1.5042 1.6467 2.2422 2.3071 2.6164 2.7200 3.2957 3.3006 4.1395 4.1616 4.4083 4.4664 4.5907 4.7034 5.0118 5.0826 5.3583 5.3751 5.6719 5.7128 6.3880 6.3988 6.7529 6.7660 7.2034 7.2377 10.0753 10.3657 11.6804 11.7974 13.0959 13.4679 14.7258 15.0001 15.2511 15.4332 k =-0.1053-0.1648 0.0373 ( 3274 PWs) bands (ev): -13.9878 -13.9847 -12.5038 -12.4929 -11.9570 -11.9485 -11.2700 -11.2660 -10.6801 -10.6765 -10.2065 -10.2028 -2.6213 -2.5983 -1.5072 -1.5002 -0.4996 -0.4922 0.0961 0.1451 0.7055 0.7803 1.2088 1.2478 1.4896 1.6358 2.2627 2.3247 2.6161 2.7260 3.2975 3.3016 4.1335 4.1522 4.3798 4.4324 4.5886 4.6988 4.9992 5.0681 5.3160 5.3363 5.6554 5.6963 6.4045 6.4153 6.7516 6.7636 7.2016 7.2348 10.0802 10.3645 11.6756 11.7876 13.0937 13.4512 14.7367 14.9708 15.2238 15.4157 k =-0.0987-0.1545 0.0350 ( 3274 PWs) bands (ev): -14.0089 -14.0059 -12.5116 -12.5013 -11.9533 -11.9452 -11.2540 -11.2502 -10.6648 -10.6614 -10.2056 -10.2020 -2.5668 -2.5443 -1.5215 -1.5146 -0.4821 -0.4753 0.1002 0.1462 0.6956 0.7720 1.1951 1.2411 1.4812 1.6264 2.2841 2.3423 2.6166 2.7320 3.3037 3.3071 4.1232 4.1389 4.3467 4.3972 4.5894 4.7007 4.9825 5.0523 5.2733 5.2994 5.6402 5.6810 6.4192 6.4296 6.7519 6.7624 7.2011 7.2329 10.0868 10.3630 11.6719 11.7791 13.0933 13.4355 14.7427 14.9348 15.1954 15.4012 k =-0.0921-0.1442 0.0326 ( 3277 PWs) bands (ev): -14.0287 -14.0259 -12.5191 -12.5093 -11.9502 -11.9426 -11.2385 -11.2348 -10.6502 -10.6470 -10.2048 -10.2014 -2.5133 -2.4912 -1.5352 -1.5285 -0.4645 -0.4585 0.1039 0.1467 0.6865 0.7641 1.1780 1.2288 1.4778 1.6178 2.3060 2.3597 2.6184 2.7384 3.3141 3.3170 4.1071 4.1210 4.3138 4.3630 4.5904 4.7058 4.9623 5.0356 5.2323 5.2651 5.6255 5.6662 6.4317 6.4414 6.7540 6.7628 7.2018 7.2322 10.0948 10.3611 11.6693 11.7716 13.0946 13.4207 14.7420 14.8934 15.1692 15.3891 k =-0.0855-0.1339 0.0303 ( 3277 PWs) bands (ev): -14.0472 -14.0446 -12.5260 -12.5168 -11.9477 -11.9404 -11.2235 -11.2200 -10.6363 -10.6334 -10.2042 -10.2009 -2.4609 -2.4394 -1.5484 -1.5418 -0.4469 -0.4417 0.1068 0.1462 0.6784 0.7564 1.1588 1.2128 1.4773 1.6095 2.3279 2.3764 2.6222 2.7455 3.3286 3.3311 4.0838 4.0976 4.2851 4.3313 4.5895 4.7109 4.9404 5.0185 5.1951 5.2341 5.6107 5.6514 6.4414 6.4503 6.7580 6.7649 7.2036 7.2326 10.1039 10.3587 11.6678 11.7651 13.0977 13.4069 14.7327 14.8485 15.1481 15.3787 k =-0.0789-0.1236 0.0280 ( 3279 PWs) bands (ev): -14.0644 -14.0620 -12.5326 -12.5239 -11.9456 -11.9388 -11.2092 -11.2059 -10.6232 -10.6205 -10.2036 -10.2005 -2.4100 -2.3894 -1.5608 -1.5543 -0.4294 -0.4250 0.1085 0.1445 0.6713 0.7490 1.1388 1.1952 1.4780 1.6008 2.3489 2.3920 2.6287 2.7538 3.3464 3.3491 4.0528 4.0693 4.2623 4.3034 4.5846 4.7122 4.9197 5.0024 5.1632 5.2066 5.5954 5.6361 6.4483 6.4563 6.7638 6.7688 7.2066 7.2341 10.1140 10.3557 11.6675 11.7595 13.1027 13.3941 14.7138 14.8025 15.1338 15.3694 k =-0.0724-0.1133 0.0256 ( 3277 PWs) bands (ev): -14.0803 -14.0781 -12.5386 -12.5306 -11.9439 -11.9376 -11.1956 -11.1926 -10.6109 -10.6084 -10.2032 -10.2003 -2.3611 -2.3414 -1.5724 -1.5660 -0.4120 -0.4085 0.1089 0.1415 0.6653 0.7417 1.1193 1.1774 1.4786 1.5912 2.3685 2.4061 2.6388 2.7636 3.3671 3.3706 4.0155 4.0371 4.2444 4.2796 4.5743 4.7050 4.9036 4.9893 5.1370 5.1833 5.5794 5.6199 6.4525 6.4597 6.7710 6.7743 7.2107 7.2366 10.1250 10.3519 11.6681 11.7546 13.1094 13.3823 14.6852 14.7571 15.1269 15.3609 k =-0.0658-0.1030 0.0233 ( 3277 PWs) bands (ev): -14.0949 -14.0929 -12.5441 -12.5368 -11.9425 -11.9367 -11.1829 -11.1801 -10.5995 -10.5972 -10.2030 -10.2002 -2.3145 -2.2959 -1.5830 -1.5769 -0.3948 -0.3922 0.1077 0.1370 0.6604 0.7342 1.1015 1.1607 1.4782 1.5805 2.3861 2.4182 2.6529 2.7752 3.3903 3.3947 3.9747 4.0024 4.2291 4.2598 4.5578 4.6862 4.8952 4.9810 5.1162 5.1645 5.5625 5.6028 6.4544 6.4609 6.7791 6.7810 7.2157 7.2400 10.1366 10.3475 11.6697 11.7503 13.1178 13.3713 14.6491 14.7133 15.1266 15.3527 k =-0.0592-0.0927 0.0210 ( 3279 PWs) bands (ev): -14.1081 -14.1063 -12.5491 -12.5424 -11.9414 -11.9361 -11.1711 -11.1685 -10.5889 -10.5868 -10.2028 -10.2002 -2.2707 -2.2533 -1.5927 -1.5868 -0.3780 -0.3762 0.1049 0.1310 0.6564 0.7265 1.0865 1.1458 1.4766 1.5686 2.4012 2.4280 2.6713 2.7886 3.4154 3.4203 3.9328 3.9676 4.2134 4.2437 4.5359 4.6558 4.8943 4.9781 5.1003 5.1511 5.5446 5.5847 6.4544 6.4603 6.7876 6.7883 7.2215 7.2440 10.1488 10.3422 11.6721 11.7465 13.1278 13.3610 14.6090 14.6708 15.1316 15.3446 k =-0.0526-0.0824 0.0187 ( 3284 PWs) bands (ev): -14.1199 -14.1183 -12.5536 -12.5476 -11.9406 -11.9358 -11.1603 -11.1580 -10.5793 -10.5775 -10.2027 -10.2004 -2.2300 -2.2140 -1.6013 -1.5956 -0.3616 -0.3605 0.1005 0.1237 0.6533 0.7182 1.0749 1.1331 1.4735 1.5555 2.4137 2.4357 2.6936 2.8036 3.4414 3.4462 3.8922 3.9350 4.1952 4.2306 4.5106 4.6173 4.8982 4.9789 5.0893 5.1435 5.5259 5.5654 6.4530 6.4584 6.7959 6.7960 7.2278 7.2483 10.1613 10.3362 11.6753 11.7429 13.1394 13.3512 14.5683 14.6293 15.1404 15.3363 k =-0.0461-0.0721 0.0163 ( 3285 PWs) bands (ev): -14.1304 -14.1290 -12.5575 -12.5522 -11.9399 -11.9357 -11.1507 -11.1486 -10.5707 -10.5690 -10.2027 -10.2006 -2.1928 -2.1784 -1.6087 -1.6035 -0.3460 -0.3453 0.0948 0.1151 0.6508 0.7094 1.0671 1.1228 1.4694 1.5416 2.4237 2.4414 2.7190 2.8198 3.4663 3.4713 3.8550 3.9073 4.1737 4.2188 4.4842 4.5747 4.9041 4.9803 5.0847 5.1417 5.5065 5.5452 6.4509 6.4557 6.8033 6.8039 7.2344 7.2529 10.1740 10.3294 11.6791 11.7395 13.1523 13.3416 14.5297 14.5892 15.1518 15.3277 k =-0.0395-0.0618 0.0140 ( 3286 PWs) bands (ev): -14.1395 -14.1382 -12.5609 -12.5563 -11.9393 -11.9357 -11.1421 -11.1403 -10.5631 -10.5617 -10.2027 -10.2009 -2.1596 -2.1468 -1.6150 -1.6102 -0.3315 -0.3307 0.0882 0.1057 0.6490 0.7002 1.0630 1.1148 1.4646 1.5271 2.4316 2.4454 2.7465 2.8364 3.4872 3.4948 3.8238 3.8870 4.1489 4.2061 4.4589 4.5317 4.9101 4.9794 5.0877 5.1451 5.4868 5.5243 6.4483 6.4525 6.8102 6.8110 7.2412 7.2573 10.1869 10.3218 11.6833 11.7361 13.1663 13.3319 14.4948 14.5511 15.1649 15.3186 k =-0.0329-0.0515 0.0117 ( 3287 PWs) bands (ev): -14.1471 -14.1461 -12.5637 -12.5599 -11.9389 -11.9358 -11.1348 -11.1333 -10.5566 -10.5554 -10.2028 -10.2012 -2.1307 -2.1198 -1.6202 -1.6160 -0.3182 -0.3170 0.0812 0.0959 0.6478 0.6910 1.0624 1.1087 1.4596 1.5124 2.4376 2.4481 2.7747 2.8523 3.5020 3.5143 3.8018 3.8762 4.1213 4.1908 4.4365 4.4913 4.9155 4.9751 5.0980 5.1523 5.4675 5.5031 6.4457 6.4493 6.8163 6.8172 7.2476 7.2614 10.1999 10.3134 11.6879 11.7327 13.1813 13.3219 14.4648 14.5160 15.1789 15.3089 k =-0.0263-0.0412 0.0093 ( 3285 PWs) bands (ev): -14.1534 -14.1526 -12.5659 -12.5628 -11.9385 -11.9360 -11.1287 -11.1275 -10.5512 -10.5502 -10.2028 -10.2015 -2.1063 -2.0974 -1.6242 -1.6206 -0.3063 -0.3050 0.0743 0.0863 0.6472 0.6819 1.0647 1.1040 1.4553 1.4982 2.4422 2.4499 2.8023 2.8664 3.5104 3.5267 3.7922 3.8752 4.0924 4.1713 4.4181 4.4562 4.9202 4.9682 5.1134 5.1616 5.4495 5.4820 6.4433 6.4462 6.8215 6.8223 7.2537 7.2648 10.2127 10.3044 11.6928 11.7292 13.1969 13.3113 14.4406 14.4845 15.1935 15.2986 k =-0.0197-0.0309 0.0070 ( 3285 PWs) bands (ev): -14.1583 -14.1577 -12.5676 -12.5652 -11.9381 -11.9363 -11.1239 -11.1230 -10.5469 -10.5461 -10.2028 -10.2019 -2.0868 -2.0800 -1.6271 -1.6243 -0.2962 -0.2949 0.0682 0.0774 0.6475 0.6735 1.0690 1.1000 1.4522 1.4849 2.4455 2.4509 2.8280 2.8774 3.5137 3.5307 3.7966 3.8808 4.0655 4.1469 4.4041 4.4284 4.9245 4.9604 5.1312 5.1709 5.4342 5.4620 6.4414 6.4436 6.8256 6.8262 7.2589 7.2674 10.2255 10.2947 11.6978 11.7254 13.2128 13.2999 14.4228 14.4576 15.2081 15.2876 k =-0.0132-0.0206 0.0047 ( 3286 PWs) bands (ev): -14.1617 -14.1613 -12.5686 -12.5671 -11.9378 -11.9366 -11.1204 -11.1198 -10.5437 -10.5432 -10.2028 -10.2021 -2.0725 -2.0678 -1.6290 -1.6271 -0.2884 -0.2874 0.0637 0.0700 0.6487 0.6660 1.0746 1.0960 1.4510 1.4732 2.4479 2.4513 2.8502 2.8839 3.5144 3.5281 3.8130 3.8856 4.0470 4.1183 4.3947 4.4085 4.9288 4.9526 5.1488 5.1775 5.4232 5.4440 6.4400 6.4415 6.8285 6.8290 7.2633 7.2690 10.2380 10.2843 11.7028 11.7213 13.2288 13.2875 14.4118 14.4359 15.2226 15.2759 k =-0.0066-0.0103 0.0023 ( 3282 PWs) bands (ev): -14.1638 -14.1635 -12.5691 -12.5683 -11.9375 -11.9369 -11.1182 -11.1179 -10.5418 -10.5415 -10.2027 -10.2024 -2.0633 -2.0610 -1.6299 -1.6289 -0.2833 -0.2828 0.0614 0.0646 0.6511 0.6597 1.0806 1.0915 1.4524 1.4636 2.4496 2.4512 2.8677 2.8848 3.5151 3.5227 3.8367 3.8800 4.0453 4.0883 4.3900 4.3962 4.9335 4.9454 5.1640 5.1793 5.4183 5.4296 6.4393 6.4400 6.8304 6.8306 7.2666 7.2694 10.2502 10.2734 11.7077 11.7170 13.2445 13.2740 14.4077 14.4200 15.2368 15.2635 k = 0.0000 0.0000 0.0000 ( 3281 PWs) bands (ev): -14.1644 -14.1644 -12.5690 -12.5690 -11.9372 -11.9372 -11.1174 -11.1174 -10.5411 -10.5411 -10.2026 -10.2026 -2.0594 -2.0594 -1.6299 -1.6299 -0.2814 -0.2814 0.0617 0.0617 0.6547 0.6547 1.0864 1.0864 1.4566 1.4566 2.4506 2.4506 2.8794 2.8794 3.5178 3.5178 3.8615 3.8615 4.0615 4.0615 4.3903 4.3903 4.9390 4.9390 5.1747 5.1747 5.4206 5.4206 6.4393 6.4393 6.8311 6.8311 7.2686 7.2686 10.2620 10.2620 11.7125 11.7125 13.2597 13.2597 14.4105 14.4105 15.2504 15.2504 k = 0.0000 0.0000 0.0000 ( 3281 PWs) bands (ev): -14.1644 -14.1644 -12.5690 -12.5690 -11.9372 -11.9372 -11.1174 -11.1174 -10.5411 -10.5411 -10.2026 -10.2026 -2.0594 -2.0594 -1.6299 -1.6299 -0.2814 -0.2814 0.0617 0.0617 0.6547 0.6547 1.0864 1.0864 1.4566 1.4566 2.4506 2.4506 2.8794 2.8794 3.5178 3.5178 3.8615 3.8615 4.0615 4.0615 4.3903 4.3903 4.9390 4.9390 5.1747 5.1747 5.4206 5.4206 6.4393 6.4393 6.8311 6.8311 7.2686 7.2686 10.2620 10.2620 11.7125 11.7125 13.2597 13.2597 14.4105 14.4105 15.2504 15.2504 k = 0.0000 0.0000 0.0125 ( 3278 PWs) bands (ev): -14.1639 -14.1637 -12.5726 -12.5714 -11.9350 -11.9339 -11.1176 -11.1173 -10.5414 -10.5411 -10.2026 -10.2022 -2.0596 -2.0593 -1.6309 -1.6298 -0.2816 -0.2812 0.0602 0.0625 0.6516 0.6578 1.0821 1.0926 1.4545 1.4591 2.4476 2.4535 2.8766 2.8829 3.5131 3.5235 3.8388 3.8716 4.0416 4.0894 4.3880 4.3933 4.9313 4.9420 5.1696 5.1838 5.4220 5.4229 6.4370 6.4390 6.8309 6.8326 7.2680 7.2713 10.2542 10.2677 11.7070 11.7139 13.2560 13.2643 14.4079 14.4194 15.2444 15.2576 k = 0.0000 0.0000 0.0250 ( 3282 PWs) bands (ev): -14.1625 -14.1621 -12.5820 -12.5798 -11.9276 -11.9254 -11.1180 -11.1174 -10.5420 -10.5414 -10.2023 -10.2015 -2.0597 -2.0592 -1.6329 -1.6308 -0.2819 -0.2810 0.0581 0.0627 0.6484 0.6606 1.0799 1.1007 1.4528 1.4620 2.4444 2.4561 2.8746 2.8872 3.5093 3.5299 3.8089 3.8641 4.0349 4.1190 4.3870 4.3969 4.9200 4.9396 5.1692 5.1951 5.4271 5.4292 6.4323 6.4361 6.8321 6.8355 7.2693 7.2761 10.2441 10.2711 11.6977 11.7113 13.2533 13.2698 14.4116 14.4343 15.2396 15.2659 k = 0.0000 0.0000 0.0375 ( 3281 PWs) bands (ev): -14.1600 -14.1594 -12.5968 -12.5935 -11.9154 -11.9123 -11.1186 -11.1176 -10.5429 -10.5420 -10.2017 -10.2004 -2.0599 -2.0592 -1.6358 -1.6328 -0.2821 -0.2808 0.0555 0.0623 0.6454 0.6631 1.0798 1.1103 1.4515 1.4652 2.4410 2.4585 2.8734 2.8923 3.5065 3.5367 3.7752 3.8409 4.0392 4.1460 4.3887 4.4015 4.9067 4.9325 5.1728 5.2068 5.4360 5.4401 6.4254 6.4309 6.8345 6.8395 7.2726 7.2827 10.2320 10.2720 11.6850 11.7049 13.2519 13.2759 14.4211 14.4545 15.2363 15.2754 k = 0.0000 0.0000 0.0499 ( 3277 PWs) bands (ev): -14.1565 -14.1557 -12.6161 -12.6120 -11.8990 -11.8951 -11.1193 -11.1180 -10.5440 -10.5428 -10.2007 -10.1990 -2.0600 -2.0591 -1.6396 -1.6356 -0.2823 -0.2806 0.0523 0.0613 0.6428 0.6653 1.0818 1.1211 1.4509 1.4691 2.4374 2.4606 2.8729 2.8981 3.5047 3.5434 3.7395 3.8090 4.0474 4.1665 4.3949 4.4077 4.8925 4.9222 5.1787 5.2171 5.4491 5.4558 6.4164 6.4235 6.8382 6.8445 7.2775 7.2911 10.2178 10.2705 11.6693 11.6950 13.2517 13.2827 14.4358 14.4791 15.2349 15.2864 k = 0.0000 0.0000 0.0624 ( 3276 PWs) bands (ev): -14.1520 -14.1510 -12.6392 -12.6344 -11.8793 -11.8747 -11.1201 -11.1185 -10.5454 -10.5440 -10.1994 -10.1973 -2.0602 -2.0590 -1.6443 -1.6394 -0.2826 -0.2805 0.0487 0.0596 0.6405 0.6672 1.0856 1.1327 1.4510 1.4736 2.4337 2.4624 2.8733 2.9048 3.5035 3.5493 3.7031 3.7740 4.0540 4.1778 4.4072 4.4163 4.8782 4.9101 5.1854 5.2253 5.4664 5.4765 6.4058 6.4144 6.8429 6.8505 7.2839 7.3010 10.2016 10.2663 11.6512 11.6822 13.2528 13.2900 14.4548 14.5070 15.2358 15.2990 k = 0.0000 0.0000 0.0749 ( 3280 PWs) bands (ev): -14.1465 -14.1454 -12.6653 -12.6600 -11.8570 -11.8519 -11.1212 -11.1193 -10.5470 -10.5453 -10.1978 -10.1954 -2.0604 -2.0590 -1.6497 -1.6441 -0.2828 -0.2804 0.0445 0.0572 0.6388 0.6688 1.0911 1.1447 1.4522 1.4790 2.4298 2.4639 2.8743 2.9122 3.5026 3.5533 3.6668 3.7396 4.0558 4.1791 4.4247 4.4289 4.8643 4.8975 5.1915 5.2312 5.4879 5.5018 6.3937 6.4038 6.8485 6.8571 7.2915 7.3121 10.1834 10.2593 11.6314 11.6670 13.2552 13.2977 14.4767 14.5370 15.2394 15.3135 k = 0.0000 0.0000 0.0874 ( 3279 PWs) bands (ev): -14.1401 -14.1388 -12.6938 -12.6881 -11.8328 -11.8273 -11.1224 -11.1202 -10.5488 -10.5469 -10.1959 -10.1933 -2.0605 -2.0590 -1.6557 -1.6494 -0.2831 -0.2803 0.0399 0.0543 0.6377 0.6701 1.0979 1.1567 1.4546 1.4854 2.4258 2.4650 2.8762 2.9205 3.5010 3.5537 3.6318 3.7089 4.0518 4.1714 4.4407 4.4509 4.8513 4.8850 5.1964 5.2354 5.5134 5.5308 6.3805 6.3924 6.8549 6.8644 7.3000 7.3242 10.1634 10.2495 11.6105 11.6502 13.2588 13.3058 14.5004 14.5677 15.2460 15.3300 k = 0.0000 0.0000 0.0999 ( 3281 PWs) bands (ev): -14.1328 -14.1314 -12.7239 -12.7180 -11.8072 -11.8015 -11.1237 -11.1213 -10.5507 -10.5487 -10.1939 -10.1910 -2.0607 -2.0590 -1.6624 -1.6555 -0.2833 -0.2803 0.0350 0.0508 0.6373 0.6714 1.1057 1.1682 1.4585 1.4931 2.4216 2.4658 2.8786 2.9294 3.4971 3.5480 3.5999 3.6853 4.0419 4.1567 4.4574 4.4772 4.8393 4.8731 5.2000 5.2384 5.5422 5.5629 6.3664 6.3805 6.8620 6.8721 7.3091 7.3369 10.1416 10.2367 11.5892 11.6324 13.2635 13.3141 14.5243 14.5980 15.2558 15.3485 k = 0.0000 0.0000 0.1124 ( 3283 PWs) bands (ev): -14.1248 -14.1231 -12.7553 -12.7492 -11.7809 -11.7750 -11.1253 -11.1226 -10.5527 -10.5506 -10.1916 -10.1885 -2.0608 -2.0590 -1.6695 -1.6621 -0.2836 -0.2804 0.0297 0.0467 0.6374 0.6725 1.1141 1.1789 1.4642 1.5022 2.4173 2.4661 2.8817 2.9390 3.4885 3.5332 3.5753 3.6707 4.0269 4.1367 4.4754 4.5043 4.8286 4.8617 5.2026 5.2411 5.5738 5.5973 6.3516 6.3684 6.8696 6.8803 7.3185 7.3498 10.1181 10.2209 11.5682 11.6144 13.2692 13.3226 14.5471 14.6269 15.2684 15.3684 k = 0.0000 0.0000 0.1249 ( 3283 PWs) bands (ev): -14.1159 -14.1141 -12.7874 -12.7811 -11.7543 -11.7482 -11.1270 -11.1241 -10.5548 -10.5526 -10.1892 -10.1859 -2.0610 -2.0590 -1.6769 -1.6692 -0.2839 -0.2805 0.0243 0.0422 0.6382 0.6737 1.1227 1.1883 1.4718 1.5128 2.4128 2.4660 2.8853 2.9492 3.4727 3.5090 3.5621 3.6640 4.0078 4.1128 4.4938 4.5304 4.8193 4.8512 5.2046 5.2438 5.6073 5.6333 6.3364 6.3566 6.8777 6.8887 7.3280 7.3627 10.0932 10.2021 11.5480 11.5966 13.2757 13.3311 14.5678 14.6538 15.2834 15.3885 k = 0.0000 0.0000 0.1373 ( 3280 PWs) bands (ev): -14.1063 -14.1045 -12.8197 -12.8135 -11.7276 -11.7215 -11.1290 -11.1258 -10.5570 -10.5546 -10.1867 -10.1833 -2.0611 -2.0591 -1.6846 -1.6767 -0.2842 -0.2807 0.0187 0.0372 0.6396 0.6749 1.1313 1.1963 1.4816 1.5250 2.4083 2.4653 2.8892 2.9596 3.4506 3.4808 3.5574 3.6621 3.9858 4.0864 4.5114 4.5540 4.8120 4.8417 5.2064 5.2469 5.6422 5.6703 6.3210 6.3452 6.8862 6.8975 7.3372 7.3753 10.0672 10.1805 11.5291 11.5796 13.2828 13.3395 14.5858 14.6782 15.2994 15.4070 k = 0.0000 0.0000 0.1498 ( 3280 PWs) bands (ev): -14.0962 -14.0942 -12.8521 -12.8458 -11.7013 -11.6953 -11.1311 -11.1277 -10.5591 -10.5567 -10.1841 -10.1807 -2.0612 -2.0591 -1.6925 -1.6845 -0.2845 -0.2810 0.0130 0.0319 0.6415 0.6761 1.1396 1.2027 1.4933 1.5388 2.4038 2.4641 2.8933 2.9701 3.4252 3.4528 3.5569 3.6624 3.9621 4.0583 4.5269 4.5740 4.8070 4.8338 5.2084 5.2506 5.6779 5.7079 6.3057 6.3345 6.8950 6.9064 7.3460 7.3873 10.0403 10.1563 11.5118 11.5636 13.2904 13.3477 14.6007 14.6999 15.3149 15.4221 k = 0.0000 0.0000 0.1623 ( 3277 PWs) bands (ev): -14.0855 -14.0835 -12.8840 -12.8779 -11.6756 -11.6696 -11.1333 -11.1299 -10.5612 -10.5588 -10.1814 -10.1780 -2.0613 -2.0591 -1.7003 -1.6923 -0.2849 -0.2813 0.0074 0.0264 0.6439 0.6775 1.1475 1.2076 1.5070 1.5539 2.3992 2.4624 2.8974 2.9803 3.3990 3.4270 3.5583 3.6628 3.9378 4.0294 4.5393 4.5890 4.8048 4.8284 5.2109 5.2547 5.7139 5.7457 6.2906 6.3244 6.9041 6.9156 7.3543 7.3983 10.0130 10.1298 11.4966 11.5490 13.2981 13.3554 14.6130 14.7188 15.3282 15.4322 k = 0.0000 0.0000 0.1748 ( 3278 PWs) bands (ev): -14.0745 -14.0724 -12.9153 -12.9093 -11.6507 -11.6449 -11.1358 -11.1322 -10.5632 -10.5609 -10.1788 -10.1754 -2.0613 -2.0592 -1.7081 -1.7002 -0.2853 -0.2818 0.0019 0.0207 0.6466 0.6788 1.1547 1.2110 1.5224 1.5702 2.3948 2.4599 2.9013 2.9897 3.3740 3.4043 3.5600 3.6621 3.9141 4.0006 4.5476 4.5981 4.8058 4.8263 5.2140 5.2592 5.7496 5.7831 6.2760 6.3150 6.9134 6.9249 7.3618 7.4082 9.9856 10.1014 11.4835 11.5358 13.3060 13.3625 14.6230 14.7350 15.3376 15.4367 k = 0.0000 0.0000 0.1873 ( 3281 PWs) bands (ev): -14.0633 -14.0611 -12.9456 -12.9398 -11.6269 -11.6212 -11.1384 -11.1348 -10.5652 -10.5629 -10.1762 -10.1729 -2.0614 -2.0593 -1.7156 -1.7080 -0.2857 -0.2823 -0.0034 0.0150 0.6496 0.6802 1.1613 1.2133 1.5392 1.5873 2.3904 2.4568 2.9049 2.9977 3.3515 3.3851 3.5611 3.6594 3.8920 3.9728 4.5513 4.6009 4.8101 4.8281 5.2178 5.2638 5.7848 5.8199 6.2619 6.3064 6.9229 6.9343 7.3686 7.4168 9.9585 10.0715 11.4726 11.5241 13.3138 13.3689 14.6315 14.7486 15.3421 15.4360 k = 0.0000 0.0000 0.1998 ( 3282 PWs) bands (ev): -14.0519 -14.0498 -12.9746 -12.9691 -11.6043 -11.5988 -11.1411 -11.1375 -10.5670 -10.5648 -10.1737 -10.1706 -2.0614 -2.0593 -1.7229 -1.7156 -0.2862 -0.2829 -0.0083 0.0093 0.6528 0.6816 1.1673 1.2145 1.5570 1.6047 2.3864 2.4530 2.9081 3.0037 3.3327 3.3697 3.5608 3.6541 3.8723 3.9467 4.5507 4.5979 4.8173 4.8337 5.2221 5.2682 5.8190 5.8557 6.2485 6.2983 6.9325 6.9437 7.3746 7.4239 9.9323 10.0408 11.4639 11.5138 13.3213 13.3745 14.6392 14.7597 15.3416 15.4311 k = 0.0000 0.0000 0.2123 ( 3283 PWs) bands (ev): -14.0406 -14.0385 -13.0021 -12.9970 -11.5830 -11.5778 -11.1439 -11.1403 -10.5687 -10.5666 -10.1713 -10.1683 -2.0614 -2.0594 -1.7297 -1.7229 -0.2866 -0.2835 -0.0129 0.0037 0.6562 0.6828 1.1726 1.2148 1.5755 1.6220 2.3827 2.4485 2.9108 3.0071 3.3183 3.3582 3.5584 3.6459 3.8557 3.9232 4.5464 4.5900 4.8268 4.8420 5.2270 5.2723 5.8518 5.8900 6.2361 6.2907 6.9420 6.9529 7.3798 7.4294 9.9075 10.0098 11.4573 11.5049 13.3286 13.3791 14.6467 14.7684 15.3369 15.4228 k = 0.0000 0.0000 0.2247 ( 3283 PWs) bands (ev): -14.0296 -14.0276 -13.0278 -13.0230 -11.5633 -11.5584 -11.1467 -11.1432 -10.5702 -10.5683 -10.1690 -10.1663 -2.0613 -2.0595 -1.7360 -1.7297 -0.2871 -0.2842 -0.0170 -0.0016 0.6596 0.6839 1.1773 1.2146 1.5941 1.6388 2.3796 2.4433 2.9131 3.0073 3.3091 3.3507 3.5533 3.6347 3.8426 3.9029 4.5393 4.5788 4.8378 4.8521 5.2323 5.2757 5.8830 5.9225 6.2246 6.2833 6.9515 6.9620 7.3844 7.4333 9.8845 9.9792 11.4526 11.4970 13.3356 13.3826 14.6545 14.7748 15.3295 15.4120 k = 0.0000 0.0000 0.2372 ( 3283 PWs) bands (ev): -14.0191 -14.0172 -13.0513 -13.0470 -11.5454 -11.5409 -11.1494 -11.1461 -10.5716 -10.5698 -10.1670 -10.1645 -2.0613 -2.0596 -1.7418 -1.7361 -0.2875 -0.2849 -0.0207 -0.0067 0.6631 0.6848 1.1816 1.2138 1.6125 1.6544 2.3772 2.4374 2.9152 3.0045 3.3049 3.3469 3.5455 3.6208 3.8328 3.8863 4.5306 4.5657 4.8495 4.8627 5.2377 5.2784 5.9121 5.9527 6.2144 6.2761 6.9608 6.9707 7.3884 7.4355 9.8638 9.9496 11.4496 11.4902 13.3422 13.3852 14.6630 14.7789 15.3207 15.3992 k = 0.0000 0.0000 0.2497 ( 3285 PWs) bands (ev): -14.0093 -14.0076 -13.0725 -13.0686 -11.5293 -11.5252 -11.1521 -11.1490 -10.5727 -10.5712 -10.1651 -10.1629 -2.0612 -2.0597 -1.7468 -1.7418 -0.2879 -0.2856 -0.0237 -0.0114 0.6664 0.6855 1.1854 1.2127 1.6303 1.6686 2.3756 2.4309 2.9173 2.9988 3.3055 3.3465 3.5352 3.6047 3.8263 3.8732 4.5213 4.5517 4.8612 4.8730 5.2433 5.2803 5.9390 5.9801 6.2058 6.2686 6.9696 6.9789 7.3922 7.4361 9.8458 9.9215 11.4481 11.4843 13.3484 13.3867 14.6724 14.7805 15.3120 15.3851 k = 0.0000 0.0000 0.2622 ( 3287 PWs) bands (ev): -14.0004 -13.9989 -13.0909 -13.0876 -11.5153 -11.5117 -11.1545 -11.1518 -10.5737 -10.5724 -10.1634 -10.1615 -2.0611 -2.0598 -1.7512 -1.7469 -0.2883 -0.2862 -0.0262 -0.0156 0.6696 0.6858 1.1889 1.2114 1.6469 1.6807 2.3750 2.4240 2.9196 2.9909 3.3099 3.3490 3.5235 3.5870 3.8228 3.8630 4.5122 4.5379 4.8721 4.8824 5.2488 5.2812 5.9634 6.0040 6.1991 6.2607 6.9778 6.9862 7.3957 7.4352 9.8310 9.8955 11.4479 11.4790 13.3542 13.3872 14.6827 14.7798 15.3047 15.3704 k = 0.0000 0.0000 0.2747 ( 3287 PWs) bands (ev): -13.9927 -13.9914 -13.1064 -13.1037 -11.5034 -11.5005 -11.1566 -11.1543 -10.5745 -10.5735 -10.1619 -10.1604 -2.0610 -2.0599 -1.7547 -1.7513 -0.2886 -0.2869 -0.0280 -0.0194 0.6726 0.6858 1.1920 1.2099 1.6621 1.6904 2.3756 2.4168 2.9225 2.9816 3.3173 3.3531 3.5118 3.5683 3.8218 3.8551 4.5043 4.5250 4.8819 4.8903 5.2542 5.2811 5.9851 6.0233 6.1950 6.2522 6.9852 6.9924 7.3994 7.4330 9.8196 9.8723 11.4487 11.4742 13.3596 13.3867 14.6939 14.7766 15.2995 15.3557 k = 0.0000 0.0000 0.2872 ( 3283 PWs) bands (ev): -13.9864 -13.9854 -13.1187 -13.1166 -11.4939 -11.4916 -11.1583 -11.1565 -10.5751 -10.5743 -10.1608 -10.1596 -2.0608 -2.0600 -1.7575 -1.7548 -0.2887 -0.2875 -0.0292 -0.0227 0.6754 0.6854 1.1949 1.2082 1.6753 1.6973 2.3773 2.4095 2.9263 2.9717 3.3266 3.3575 3.5020 3.5494 3.8229 3.8486 4.4980 4.5138 4.8901 4.8966 5.2593 5.2802 6.0041 6.0372 6.1943 6.2429 6.9915 6.9973 7.4032 7.4297 9.8121 9.8521 11.4504 11.4699 13.3646 13.3854 14.7059 14.7710 15.2970 15.3415 k = 0.0000 0.0000 0.2997 ( 3278 PWs) bands (ev): -13.9817 -13.9810 -13.1275 -13.1260 -11.4869 -11.4853 -11.1595 -11.1582 -10.5755 -10.5749 -10.1598 -10.1591 -2.0607 -2.0601 -1.7593 -1.7575 -0.2888 -0.2879 -0.0297 -0.0253 0.6779 0.6847 1.1975 1.2063 1.6862 1.7013 2.3803 2.4024 2.9311 2.9619 3.3367 3.3602 3.4963 3.5314 3.8255 3.8431 4.4940 4.5046 4.8965 4.9009 5.2642 5.2784 6.0201 6.0447 6.1974 6.2331 6.9966 7.0007 7.4073 7.4257 9.8085 9.8355 11.4527 11.4659 13.3693 13.3834 14.7183 14.7632 15.2976 15.3285 k = 0.0000 0.0000 0.3121 ( 3282 PWs) bands (ev): -13.9787 -13.9784 -13.1327 -13.1320 -11.4825 -11.4817 -11.1601 -11.1594 -10.5756 -10.5754 -10.1592 -10.1588 -2.0605 -2.0602 -1.7602 -1.7593 -0.2888 -0.2883 -0.0296 -0.0274 0.6801 0.6835 1.2000 1.2043 1.6944 1.7021 2.3844 2.3956 2.9371 2.9527 3.3465 3.3594 3.4966 3.5155 3.8291 3.8381 4.4925 4.4978 4.9009 4.9031 5.2686 5.2758 6.0327 6.0460 6.2038 6.2228 7.0002 7.0023 7.4118 7.4212 9.8090 9.8226 11.4555 11.4621 13.3735 13.3806 14.7306 14.7536 15.3013 15.3171 k = 0.0000 0.0000 0.3246 ( 3278 PWs) bands (ev): -13.9776 -13.9776 -13.1342 -13.1342 -11.4807 -11.4807 -11.1601 -11.1601 -10.5756 -10.5756 -10.1589 -10.1589 -2.0604 -2.0604 -1.7602 -1.7602 -0.2886 -0.2886 -0.0288 -0.0288 0.6820 0.6820 1.2022 1.2022 1.6998 1.6998 2.3896 2.3896 2.9443 2.9443 3.3545 3.3545 3.5033 3.5033 3.8334 3.8334 4.4938 4.4938 4.9031 4.9031 5.2725 5.2725 6.0417 6.0417 6.2127 6.2127 7.0021 7.0021 7.4165 7.4165 9.8138 9.8138 11.4586 11.4586 13.3773 13.3773 14.7426 14.7426 15.3079 15.3079 k = 0.0000-0.5261 0.2030 ( 3268 PWs) bands (ev): -13.1577 -13.1577 -12.5033 -12.5033 -12.2693 -12.2693 -11.6883 -11.6883 -10.9908 -10.9908 -10.3277 -10.3277 -3.1416 -3.1416 -1.3552 -1.3552 -0.7163 -0.7163 0.2202 0.2202 1.0571 1.0571 1.6140 1.6140 1.9056 1.9056 2.5796 2.5796 3.0581 3.0581 3.2053 3.2053 3.6448 3.6448 4.2280 4.2280 4.7661 4.7661 5.0932 5.0932 5.6034 5.6034 6.0039 6.0039 6.2736 6.2736 6.8280 6.8280 7.0313 7.0313 9.8691 9.8691 12.0964 12.0964 13.4005 13.4005 14.8183 14.8183 15.2757 15.2757 k = 0.0000-0.5147 0.1986 ( 3269 PWs) bands (ev): -13.1611 -13.1605 -12.5018 -12.5009 -12.2696 -12.2681 -11.6880 -11.6870 -10.9907 -10.9904 -10.3279 -10.3275 -3.1414 -3.1401 -1.3560 -1.3547 -0.7166 -0.7141 0.2176 0.2231 1.0560 1.0592 1.6008 1.6206 1.8977 1.9163 2.5758 2.5805 3.0537 3.0553 3.1977 3.2131 3.6423 3.6538 4.2290 4.2316 4.7662 4.7669 5.0901 5.0939 5.6020 5.6046 6.0019 6.0044 6.2666 6.2753 6.8264 6.8331 7.0309 7.0323 9.8602 9.8790 12.0919 12.0983 13.3920 13.4086 14.8059 14.8309 15.2650 15.2862 k = 0.0000-0.5032 0.1942 ( 3267 PWs) bands (ev): -13.1703 -13.1691 -12.4967 -12.4948 -12.2688 -12.2659 -11.6861 -11.6841 -10.9901 -10.9895 -10.3280 -10.3272 -3.1396 -3.1371 -1.3572 -1.3545 -0.7148 -0.7100 0.2153 0.2261 1.0557 1.0623 1.5824 1.6196 1.8934 1.9287 2.5690 2.5782 3.0436 3.0449 3.1917 3.2193 3.6465 3.6686 4.2344 4.2395 4.7672 4.7687 5.0847 5.0923 5.6002 5.6053 5.9983 6.0033 6.2547 6.2717 6.8281 6.8411 7.0314 7.0341 9.8522 9.8897 12.0849 12.0977 13.3832 13.4162 14.7938 14.8438 15.2542 15.2964 k = 0.0000-0.4918 0.1898 ( 3269 PWs) bands (ev): -13.1850 -13.1832 -12.4889 -12.4859 -12.2668 -12.2624 -11.6826 -11.6797 -10.9890 -10.9881 -10.3280 -10.3268 -3.1362 -3.1324 -1.3587 -1.3546 -0.7111 -0.7040 0.2132 0.2293 1.0563 1.0664 1.5601 1.6111 1.8930 1.9416 2.5592 2.5726 3.0267 3.0303 3.1878 3.2231 3.6570 3.6880 4.2442 4.2516 4.7691 4.7714 5.0769 5.0885 5.5981 5.6056 5.9932 6.0007 6.2391 6.2631 6.8321 6.8508 7.0330 7.0372 9.8452 9.9013 12.0754 12.0945 13.3742 13.4233 14.7822 14.8567 15.2435 15.3062 k = 0.0000-0.4804 0.1854 ( 3270 PWs) bands (ev): -13.2043 -13.2021 -12.4796 -12.4752 -12.2627 -12.2570 -11.6777 -11.6740 -10.9874 -10.9861 -10.3279 -10.3264 -3.1312 -3.1262 -1.3605 -1.3551 -0.7056 -0.6961 0.2115 0.2324 1.0574 1.0715 1.5353 1.5959 1.8957 1.9542 2.5461 2.5631 3.0038 3.0142 3.1856 3.2241 3.6732 3.7111 4.2579 4.2674 4.7718 4.7751 5.0668 5.0824 5.5957 5.6054 5.9866 5.9966 6.2209 6.2506 6.8368 6.8607 7.0365 7.0423 9.8391 9.9137 12.0636 12.0888 13.3649 13.4299 14.7711 14.8697 15.2330 15.3155 k = 0.0000-0.4689 0.1810 ( 3272 PWs) bands (ev): -13.2277 -13.2250 -12.4700 -12.4642 -12.2561 -12.2491 -11.6714 -11.6670 -10.9851 -10.9836 -10.3277 -10.3258 -3.1246 -3.1183 -1.3625 -1.3560 -0.6981 -0.6865 0.2099 0.2355 1.0589 1.0775 1.5092 1.5754 1.9005 1.9658 2.5295 2.5494 2.9777 2.9971 3.1843 3.2227 3.6936 3.7368 4.2751 4.2865 4.7754 4.7798 5.0543 5.0744 5.5928 5.6046 5.9785 5.9911 6.2012 6.2352 6.8402 6.8691 7.0424 7.0505 9.8340 9.9269 12.0496 12.0807 13.3556 13.4358 14.7606 14.8825 15.2230 15.3245 k = 0.0000-0.4575 0.1766 ( 3272 PWs) bands (ev): -13.2542 -13.2513 -12.4616 -12.4542 -12.2461 -12.2380 -11.6638 -11.6588 -10.9823 -10.9804 -10.3274 -10.3251 -3.1162 -3.1087 -1.3649 -1.3574 -0.6889 -0.6753 0.2086 0.2383 1.0605 1.0843 1.4828 1.5512 1.9061 1.9760 2.5089 2.5311 2.9504 2.9800 3.1835 3.2198 3.7172 3.7642 4.2952 4.3080 4.7798 4.7856 5.0397 5.0644 5.5896 5.6031 5.9694 5.9843 6.1810 6.2182 6.8409 6.8745 7.0516 7.0620 9.8298 9.9408 12.0334 12.0703 13.3463 13.4410 14.7508 14.8951 15.2136 15.3331 k = 0.0000-0.4461 0.1721 ( 3273 PWs) bands (ev): -13.2834 -13.2801 -12.4553 -12.4464 -12.2322 -12.2232 -11.6551 -11.6497 -10.9789 -10.9767 -10.3270 -10.3244 -3.1063 -3.0976 -1.3677 -1.3591 -0.6780 -0.6625 0.2073 0.2408 1.0617 1.0918 1.4574 1.5247 1.9115 1.9847 2.4843 2.5082 2.9230 2.9636 3.1831 3.2159 3.7426 3.7925 4.3175 4.3311 4.7852 4.7926 5.0231 5.0529 5.5858 5.6008 5.9593 5.9764 6.1613 6.2005 6.8379 6.8758 7.0642 7.0769 9.8266 9.9554 12.0154 12.0577 13.3370 13.4455 14.7416 14.9075 15.2051 15.3413 k = 0.0000-0.4346 0.1677 ( 3273 PWs) bands (ev): -13.3145 -13.3109 -12.4516 -12.4414 -12.2144 -12.2049 -11.6454 -11.6397 -10.9748 -10.9723 -10.3264 -10.3234 -3.0946 -3.0847 -1.3707 -1.3613 -0.6656 -0.6484 0.2062 0.2426 1.0622 1.0998 1.4337 1.4972 1.9161 1.9915 2.4557 2.4808 2.8967 2.9483 3.1831 3.2119 3.7690 3.8210 4.3410 4.3548 4.7914 4.8006 5.0049 5.0400 5.5814 5.5975 5.9490 5.9678 6.1424 6.1829 6.8312 6.8728 7.0800 7.0944 9.8244 9.9705 11.9958 12.0431 13.3277 13.4493 14.7332 14.9194 15.1977 15.3494 k = 0.0000-0.4232 0.1633 ( 3272 PWs) bands (ev): -13.3470 -13.3433 -12.4506 -12.4394 -12.1931 -12.1833 -11.6347 -11.6289 -10.9701 -10.9672 -10.3256 -10.3224 -3.0813 -3.0702 -1.3742 -1.3639 -0.6517 -0.6330 0.2050 0.2437 1.0615 1.1082 1.4126 1.4697 1.9192 1.9965 2.4233 2.4493 2.8719 2.9341 3.1836 3.2083 3.7954 3.8492 4.3647 4.3780 4.7985 4.8098 4.9857 5.0264 5.5763 5.5930 5.9388 5.9588 6.1248 6.1658 6.8210 6.8658 7.0982 7.1138 9.8231 9.9862 11.9746 12.0267 13.3186 13.4524 14.7256 14.9308 15.1915 15.3573 k = 0.0000-0.4117 0.1589 ( 3271 PWs) bands (ev): -13.3806 -13.3768 -12.4519 -12.4399 -12.1691 -12.1591 -11.6234 -11.6175 -10.9646 -10.9614 -10.3246 -10.3211 -3.0662 -3.0541 -1.3780 -1.3671 -0.6364 -0.6166 0.2038 0.2439 1.0593 1.1165 1.3948 1.4434 1.9204 1.9994 2.3877 2.4144 2.8488 2.9212 3.1847 3.2056 3.8214 3.8767 4.3872 4.3994 4.8064 4.8196 4.9666 5.0128 5.5703 5.5872 5.9295 5.9500 6.1086 6.1496 6.8078 6.8553 7.1179 7.1343 9.8229 10.0022 11.9523 12.0087 13.3096 13.4547 14.7188 14.9415 15.1868 15.3652 k = 0.0000-0.4003 0.1545 ( 3273 PWs) bands (ev): -13.4150 -13.4110 -12.4552 -12.4425 -12.1431 -12.1331 -11.6113 -11.6056 -10.9583 -10.9548 -10.3235 -10.3196 -3.0495 -3.0362 -1.3822 -1.3708 -0.6201 -0.5994 0.2024 0.2430 1.0552 1.1245 1.3803 1.4194 1.9192 2.0001 2.3497 2.3769 2.8276 2.9093 3.1865 3.2041 3.8464 3.9031 4.4070 4.4181 4.8143 4.8288 4.9497 5.0003 5.5635 5.5801 5.9215 5.9419 6.0938 6.1344 6.7923 6.8419 7.1381 7.1551 9.8237 10.0186 11.9290 11.9892 13.3008 13.4563 14.7128 14.9515 15.1837 15.3733 k = 0.0000-0.3889 0.1501 ( 3274 PWs) bands (ev): -13.4497 -13.4456 -12.4599 -12.4467 -12.1160 -12.1060 -11.5986 -11.5932 -10.9513 -10.9474 -10.3220 -10.3180 -3.0310 -3.0167 -1.3868 -1.3751 -0.6027 -0.5815 0.2008 0.2409 1.0494 1.1317 1.3682 1.3994 1.9154 1.9984 2.3103 2.3381 2.8080 2.8983 3.1893 3.2039 3.8701 3.9282 4.4225 4.4333 4.8205 4.8345 4.9390 4.9906 5.5557 5.5717 5.9154 5.9350 6.0803 6.1201 6.7748 6.8261 7.1581 7.1758 9.8255 10.0352 11.9051 11.9686 13.2923 13.4573 14.7075 14.9606 15.1823 15.3816 k = 0.0000-0.3774 0.1457 ( 3269 PWs) bands (ev): -13.4846 -13.4805 -12.4657 -12.4521 -12.0885 -12.0786 -11.5854 -11.5803 -10.9434 -10.9392 -10.3203 -10.3160 -3.0108 -2.9955 -1.3919 -1.3799 -0.5845 -0.5631 0.1991 0.2375 1.0420 1.1376 1.3565 1.3860 1.9085 1.9941 2.2704 2.2990 2.7899 2.8880 3.1930 3.2054 3.8922 3.9517 4.4322 4.4449 4.8205 4.8348 4.9391 4.9860 5.5472 5.5622 5.9114 5.9298 6.0680 6.1069 6.7559 6.8085 7.1774 7.1958 9.8283 10.0519 11.8807 11.9471 13.2839 13.4575 14.7030 14.9689 15.1824 15.3903 k = 0.0000-0.3660 0.1412 ( 3267 PWs) bands (ev): -13.5196 -13.5154 -12.4723 -12.4583 -12.0613 -12.0514 -11.5716 -11.5669 -10.9346 -10.9302 -10.3184 -10.3139 -2.9889 -2.9726 -1.3975 -1.3854 -0.5657 -0.5446 0.1971 0.2329 1.0334 1.1417 1.3442 1.3800 1.8981 1.9866 2.2312 2.2610 2.7733 2.8784 3.1977 3.2085 3.9125 3.9734 4.4356 4.4522 4.8098 4.8319 4.9501 4.9885 5.5380 5.5520 5.9095 5.9264 6.0568 6.0946 6.7359 6.7894 7.1956 7.2150 9.8322 10.0687 11.8563 11.9249 13.2758 13.4571 14.6993 14.9763 15.1841 15.3996 k = 0.0000-0.3546 0.1368 ( 3267 PWs) bands (ev): -13.5543 -13.5501 -12.4792 -12.4651 -12.0348 -12.0250 -11.5573 -11.5530 -10.9250 -10.9203 -10.3161 -10.3115 -2.9653 -2.9481 -1.4036 -1.3915 -0.5465 -0.5260 0.1950 0.2270 1.0242 1.1434 1.3331 1.3793 1.8841 1.9756 2.1941 2.2253 2.7580 2.8694 3.2036 3.2133 3.9309 3.9933 4.4329 4.4547 4.7920 4.8249 4.9679 4.9984 5.5286 5.5415 5.9095 5.9250 6.0469 6.0835 6.7152 6.7692 7.2125 7.2329 9.8372 10.0853 11.8320 11.9023 13.2680 13.4561 14.6962 14.9828 15.1871 15.4093 k = 0.0000-0.3431 0.1324 ( 3265 PWs) bands (ev): -13.5888 -13.5846 -12.4865 -12.4723 -12.0096 -11.9997 -11.5424 -11.5384 -10.9145 -10.9096 -10.3136 -10.3088 -2.9400 -2.9219 -1.4102 -1.3983 -0.5272 -0.5078 0.1929 0.2202 1.0146 1.1423 1.3246 1.3813 1.8663 1.9605 2.1602 2.1932 2.7440 2.8610 3.2107 3.2196 3.9471 4.0111 4.4248 4.4524 4.7715 4.8135 4.9883 5.0138 5.5192 5.5312 5.9106 5.9255 6.0385 6.0736 6.6943 6.7482 7.2280 7.2496 9.8432 10.1017 11.8081 11.8796 13.2604 13.4544 14.6938 14.9885 15.1910 15.4197 k = 0.0000-0.3317 0.1280 ( 3264 PWs) bands (ev): -13.6228 -13.6186 -12.4938 -12.4795 -11.9860 -11.9761 -11.5268 -11.5232 -10.9031 -10.8980 -10.3108 -10.3058 -2.9131 -2.8941 -1.4174 -1.4058 -0.5078 -0.4900 0.1908 0.2126 1.0050 1.1384 1.3189 1.3845 1.8450 1.9415 2.1304 2.1654 2.7313 2.8533 3.2191 3.2275 3.9610 4.0267 4.4121 4.4457 4.7504 4.7988 5.0087 5.0318 5.5103 5.5216 5.9117 5.9277 6.0323 6.0656 6.6737 6.7270 7.2420 7.2648 9.8502 10.1178 11.7849 11.8571 13.2531 13.4522 14.6920 14.9936 15.1956 15.4305 k = 0.0000-0.3202 0.1236 ( 3265 PWs) bands (ev): -13.6562 -13.6521 -12.5011 -12.4868 -11.9644 -11.9544 -11.5106 -11.5071 -10.8909 -10.8857 -10.3077 -10.3026 -2.8846 -2.8648 -1.4252 -1.4139 -0.4888 -0.4729 0.1888 0.2047 0.9953 1.1318 1.3154 1.3875 1.8211 1.9193 2.1050 2.1421 2.7198 2.8465 3.2288 3.2369 3.9724 4.0397 4.3959 4.4354 4.7298 4.7820 5.0272 5.0494 5.5022 5.5132 5.9111 5.9311 6.0290 6.0604 6.6537 6.7058 7.2545 7.2786 9.8583 10.1335 11.7626 11.8349 13.2461 13.4495 14.6907 14.9979 15.2004 15.4418 k = 0.0000-0.3088 0.1192 ( 3270 PWs) bands (ev): -13.6891 -13.6850 -12.5083 -12.4940 -11.9450 -11.9349 -11.4936 -11.4903 -10.8779 -10.8726 -10.3042 -10.2990 -2.8545 -2.8340 -1.4335 -1.4227 -0.4703 -0.4567 0.1870 0.1969 0.9854 1.1227 1.3133 1.3891 1.7959 1.8952 2.0838 2.1231 2.7098 2.8405 3.2399 3.2477 3.9810 4.0499 4.3773 4.4226 4.7100 4.7637 5.0422 5.0646 5.4951 5.5063 5.9078 5.9337 6.0301 6.0594 6.6349 6.6851 7.2654 7.2908 9.8673 10.1487 11.7415 11.8135 13.2394 13.4463 14.6897 15.0017 15.2051 15.4534 k = 0.0000-0.2974 0.1148 ( 3267 PWs) bands (ev): -13.7212 -13.7171 -12.5152 -12.5010 -11.9281 -11.9179 -11.4759 -11.4725 -10.8642 -10.8587 -10.3005 -10.2953 -2.8229 -2.8018 -1.4425 -1.4322 -0.4526 -0.4415 0.1846 0.1908 0.9750 1.1112 1.3115 1.3882 1.7707 1.8711 2.0663 2.1079 2.7012 2.8354 3.2523 3.2599 3.9867 4.0567 4.3576 4.4085 4.6912 4.7443 5.0529 5.0757 5.4890 5.5006 5.9009 5.9333 6.0367 6.0640 6.6178 6.6655 7.2749 7.3015 9.8773 10.1633 11.7218 11.7929 13.2331 13.4425 14.6890 15.0047 15.2092 15.4648 k = 0.0000-0.2859 0.1104 ( 3270 PWs) bands (ev): -13.7525 -13.7485 -12.5218 -12.5078 -11.9136 -11.9034 -11.4575 -11.4540 -10.8497 -10.8443 -10.2966 -10.2912 -2.7899 -2.7682 -1.4520 -1.4422 -0.4359 -0.4277 0.1797 0.1886 0.9636 1.0972 1.3094 1.3840 1.7471 1.8484 2.0519 2.0960 2.6942 2.8314 3.2660 3.2735 3.9890 4.0596 4.3382 4.3944 4.6730 4.7240 5.0586 5.0821 5.4838 5.4957 5.8903 5.9285 6.0495 6.0747 6.6027 6.6473 7.2830 7.3106 9.8881 10.1773 11.7036 11.7735 13.2271 13.4384 14.6885 15.0070 15.2125 15.4756 k = 0.0000-0.2745 0.1059 ( 3271 PWs) bands (ev): -13.7830 -13.7791 -12.5281 -12.5142 -11.9016 -11.8914 -11.4383 -11.4347 -10.8346 -10.8292 -10.2924 -10.2870 -2.7556 -2.7333 -1.4620 -1.4529 -0.4204 -0.4151 0.1743 0.1889 0.9508 1.0808 1.3063 1.3760 1.7261 1.8282 2.0404 2.0870 2.6888 2.8286 3.2808 3.2885 3.9878 4.0579 4.3206 4.3813 4.6555 4.7030 5.0595 5.0835 5.4787 5.4908 5.8763 5.9193 6.0677 6.0913 6.5901 6.6310 7.2897 7.3184 9.8999 10.1905 11.6872 11.7553 13.2215 13.4338 14.6878 15.0082 15.2145 15.4853 k = 0.0000-0.2631 0.1015 ( 3268 PWs) bands (ev): -13.8125 -13.8088 -12.5340 -12.5203 -11.8920 -11.8819 -11.4186 -11.4149 -10.8190 -10.8137 -10.2879 -10.2825 -2.7200 -2.6973 -1.4725 -1.4641 -0.4064 -0.4037 0.1699 0.1905 0.9362 1.0616 1.3020 1.3642 1.7082 1.8110 2.0319 2.0808 2.6852 2.8268 3.2967 3.3046 3.9827 4.0509 4.3062 4.3700 4.6384 4.6814 5.0561 5.0802 5.4729 5.4852 5.8596 5.9065 6.0903 6.1128 6.5804 6.6171 7.2951 7.3248 9.9124 10.2030 11.6726 11.7387 13.2163 13.4288 14.6869 15.0080 15.2152 15.4929 k = 0.0000-0.2516 0.0971 ( 3268 PWs) bands (ev): -13.8412 -13.8375 -12.5395 -12.5260 -11.8848 -11.8748 -11.3984 -11.3946 -10.8029 -10.7977 -10.2833 -10.2778 -2.6834 -2.6603 -1.4835 -1.4758 -0.3947 -0.3928 0.1670 0.1930 0.9192 1.0398 1.2963 1.3491 1.6932 1.7964 2.0264 2.0777 2.6832 2.8262 3.3137 3.3220 3.9740 4.0387 4.2957 4.3612 4.6215 4.6591 5.0491 5.0727 5.4653 5.4777 5.8406 5.8910 6.1159 6.1380 6.5738 6.6061 7.2993 7.3298 9.9257 10.2146 11.6600 11.7238 13.2115 13.4235 14.6855 15.0060 15.2146 15.4974 k = 0.0000-0.2402 0.0927 ( 3268 PWs) bands (ev): -13.8687 -13.8652 -12.5445 -12.5313 -11.8798 -11.8699 -11.3779 -11.3741 -10.7864 -10.7814 -10.2784 -10.2730 -2.6458 -2.6224 -1.4948 -1.4879 -0.3858 -0.3819 0.1658 0.1963 0.8997 1.0154 1.2893 1.3318 1.6804 1.7836 2.0243 2.0780 2.6830 2.8268 3.3314 3.3403 3.9618 4.0215 4.2895 4.3549 4.6044 4.6367 5.0394 5.0620 5.4552 5.4676 5.8202 5.8736 6.1436 6.1659 6.5704 6.5983 7.3024 7.3336 9.9396 10.2254 11.6494 11.7105 13.2071 13.4179 14.6833 15.0016 15.2128 15.4975 k = 0.0000-0.2287 0.0883 ( 3269 PWs) bands (ev): -13.8953 -13.8918 -12.5491 -12.5362 -11.8767 -11.8670 -11.3573 -11.3535 -10.7697 -10.7648 -10.2735 -10.2681 -2.6074 -2.5838 -1.5064 -1.5002 -0.3783 -0.3723 0.1661 0.2000 0.8777 0.9889 1.2810 1.3132 1.6689 1.7716 2.0260 2.0821 2.6845 2.8285 3.3500 3.3594 3.9466 4.0005 4.2870 4.3509 4.5867 4.6147 5.0279 5.0488 5.4416 5.4544 5.7990 5.8548 6.1723 6.1952 6.5705 6.5941 7.3043 7.3361 9.9542 10.2354 11.6409 11.6992 13.2032 13.4120 14.6799 14.9941 15.2101 15.4921 k = 0.0000-0.2173 0.0839 ( 3267 PWs) bands (ev): -13.9207 -13.9174 -12.5532 -12.5407 -11.8754 -11.8659 -11.3369 -11.3331 -10.7528 -10.7481 -10.2684 -10.2631 -2.5684 -2.5447 -1.5182 -1.5127 -0.3718 -0.3639 0.1677 0.2040 0.8534 0.9609 1.2714 1.2944 1.6579 1.7595 2.0318 2.0901 2.6876 2.8312 3.3690 3.3791 3.9291 3.9766 4.2876 4.3486 4.5674 4.5941 5.0154 5.0341 5.4242 5.4377 5.7776 5.8352 6.2013 6.2247 6.5740 6.5935 7.3052 7.3376 9.9693 10.2446 11.6344 11.6898 13.1999 13.4058 14.6751 14.9827 15.2072 15.4808 k = 0.0000-0.2059 0.0795 ( 3268 PWs) bands (ev): -13.9451 -13.9419 -12.5569 -12.5447 -11.8756 -11.8663 -11.3167 -11.3130 -10.7358 -10.7314 -10.2633 -10.2580 -2.5290 -2.5052 -1.5301 -1.5252 -0.3662 -0.3568 0.1703 0.2077 0.8273 0.9321 1.2599 1.2764 1.6465 1.7464 2.0417 2.1022 2.6923 2.8348 3.3884 3.3992 3.9100 3.9512 4.2903 4.3473 4.5458 4.5760 5.0027 5.0186 5.4027 5.4173 5.7563 5.8149 6.2296 6.2533 6.5810 6.5968 7.3052 7.3379 9.9850 10.2529 11.6299 11.6822 13.1971 13.3994 14.6685 14.9668 15.2046 15.4639 k = 0.0000-0.1944 0.0750 ( 3273 PWs) bands (ev): -13.9682 -13.9652 -12.5601 -12.5483 -11.8771 -11.8681 -11.2970 -11.2934 -10.7189 -10.7147 -10.2581 -10.2530 -2.4894 -2.4657 -1.5419 -1.5376 -0.3611 -0.3505 0.1735 0.2107 0.8000 0.9032 1.2460 1.2602 1.6344 1.7319 2.0558 2.1182 2.6984 2.8393 3.4079 3.4195 3.8901 3.9253 4.2939 4.3460 4.5226 4.5605 4.9906 5.0032 5.3772 5.3935 5.7354 5.7944 6.2566 6.2803 6.5913 6.6040 7.3044 7.3372 10.0011 10.2605 11.6274 11.6766 13.1948 13.3928 14.6596 14.9460 15.2028 15.4426 k = 0.0000-0.1830 0.0706 ( 3271 PWs) bands (ev): -13.9902 -13.9873 -12.5628 -12.5515 -11.8797 -11.8710 -11.2778 -11.2744 -10.7022 -10.6983 -10.2530 -10.2480 -2.4498 -2.4263 -1.5536 -1.5498 -0.3565 -0.3451 0.1765 0.2125 0.7725 0.8750 1.2298 1.2459 1.6213 1.7159 2.0739 2.1376 2.7059 2.8444 3.4271 3.4397 3.8697 3.9001 4.2974 4.3438 4.4989 4.5468 4.9796 4.9887 5.3483 5.3666 5.7150 5.7738 6.2817 6.3049 6.6048 6.6147 7.3027 7.3357 10.0176 10.2674 11.6267 11.6728 13.1932 13.3860 14.6484 14.9205 15.2022 15.4188 k = 0.0000-0.1716 0.0662 ( 3272 PWs) bands (ev): -14.0110 -14.0082 -12.5652 -12.5543 -11.8831 -11.8748 -11.2595 -11.2562 -10.6858 -10.6820 -10.2479 -10.2430 -2.4106 -2.3874 -1.5649 -1.5615 -0.3520 -0.3401 0.1788 0.2126 0.7457 0.8483 1.2126 1.2324 1.6072 1.6985 2.0954 2.1601 2.7144 2.8501 3.4456 3.4596 3.8492 3.8766 4.2996 4.3397 4.4762 4.5345 4.9704 4.9761 5.3167 5.3370 5.6949 5.7530 6.3046 6.3267 6.6210 6.6287 7.3005 7.3332 10.0344 10.2735 11.6278 11.6708 13.1922 13.3791 14.6344 14.8906 15.2028 15.3942 k = 0.0000-0.1601 0.0618 ( 3274 PWs) bands (ev): -14.0305 -14.0279 -12.5671 -12.5567 -11.8873 -11.8793 -11.2420 -11.2388 -10.6697 -10.6662 -10.2430 -10.2382 -2.3720 -2.3493 -1.5758 -1.5726 -0.3477 -0.3354 0.1796 0.2107 0.7206 0.8236 1.1953 1.2188 1.5923 1.6800 2.1200 2.1848 2.7240 2.8561 3.4628 3.4790 3.8288 3.8563 4.2991 4.3325 4.4564 4.5232 4.9633 4.9663 5.2832 5.3053 5.6751 5.7322 6.3251 6.3458 6.6394 6.6453 7.2977 7.3300 10.0515 10.2789 11.6304 11.6704 13.1918 13.3720 14.6178 14.8569 15.2044 15.3703 k = 0.0000-0.1487 0.0574 ( 3275 PWs) bands (ev): -14.0488 -14.0464 -12.5686 -12.5588 -11.8920 -11.8844 -11.2254 -11.2224 -10.6541 -10.6509 -10.2382 -10.2336 -2.3344 -2.3122 -1.5860 -1.5829 -0.3433 -0.3308 0.1785 0.2064 0.6979 0.8013 1.1782 1.2050 1.5769 1.6605 2.1471 2.2114 2.7344 2.8623 3.4783 3.4975 3.8087 3.8399 4.2942 4.3215 4.4409 4.5124 4.9577 4.9611 5.2486 5.2725 5.6551 5.7111 6.3433 6.3622 6.6592 6.6639 7.2944 7.3262 10.0688 10.2836 11.6344 11.6714 13.1922 13.3648 14.5986 14.8202 15.2070 15.3482 k = 0.0000-0.1372 0.0530 ( 3278 PWs) bands (ev): -14.0658 -14.0635 -12.5698 -12.5606 -11.8970 -11.8898 -11.2099 -11.2071 -10.6392 -10.6362 -10.2335 -10.2292 -2.2980 -2.2765 -1.5954 -1.5924 -0.3387 -0.3262 0.1750 0.1995 0.6783 0.7816 1.1618 1.1913 1.5613 1.6405 2.1760 2.2390 2.7455 2.8685 3.4915 3.5147 3.7899 3.8278 4.2830 4.3075 4.4303 4.5016 4.9547 4.9603 5.2140 5.2394 5.6349 5.6897 6.3592 6.3762 6.6796 6.6838 7.2908 7.3218 10.0862 10.2875 11.6397 11.6737 13.1933 13.3574 14.5771 14.7814 15.2103 15.3285 k = 0.0000-0.1258 0.0486 ( 3279 PWs) bands (ev): -14.0814 -14.0794 -12.5707 -12.5621 -11.9021 -11.8955 -11.1955 -11.1929 -10.6249 -10.6222 -10.2291 -10.2250 -2.2632 -2.2426 -1.6039 -1.6008 -0.3338 -0.3214 0.1688 0.1901 0.6623 0.7644 1.1462 1.1777 1.5457 1.6202 2.2062 2.2673 2.7571 2.8745 3.5020 3.5300 3.7735 3.8203 4.2644 4.2926 4.4237 4.4904 4.9552 4.9633 5.1799 5.2073 5.6141 5.6677 6.3731 6.3882 6.7001 6.7044 7.2871 7.3169 10.1036 10.2908 11.6459 11.6770 13.1951 13.3499 14.5540 14.7414 15.2141 15.3117 k = 0.0000-0.1144 0.0441 ( 3278 PWs) bands (ev): -14.0958 -14.0939 -12.5713 -12.5633 -11.9074 -11.9011 -11.1822 -11.1798 -10.6115 -10.6090 -10.2250 -10.2211 -2.2303 -2.2108 -1.6113 -1.6082 -0.3288 -0.3165 0.1599 0.1784 0.6500 0.7496 1.1317 1.1645 1.5304 1.5999 2.2370 2.2954 2.7690 2.8802 3.5096 3.5425 3.7609 3.8173 4.2399 4.2769 4.4194 4.4788 4.9589 4.9699 5.1472 5.1776 5.5928 5.6451 6.3852 6.3985 6.7201 6.7247 7.2833 7.3118 10.1209 10.2932 11.6529 11.6811 13.1977 13.3423 14.5300 14.7008 15.2181 15.2977 k = 0.0000-0.1029 0.0397 ( 3280 PWs) bands (ev): -14.1088 -14.1071 -12.5716 -12.5643 -11.9125 -11.9068 -11.1701 -11.1679 -10.5990 -10.5967 -10.2211 -10.2175 -2.1997 -2.1815 -1.6175 -1.6144 -0.3234 -0.3114 0.1488 0.1648 0.6412 0.7366 1.1186 1.1520 1.5157 1.5798 2.2678 2.3228 2.7813 2.8852 3.5144 3.5513 3.7531 3.8186 4.2122 4.2594 4.4158 4.4667 4.9642 4.9803 5.1162 5.1525 5.5707 5.6218 6.3958 6.4073 6.7392 6.7441 7.2796 7.3064 10.1380 10.2949 11.6604 11.6858 13.2010 13.3346 14.5058 14.6604 15.2222 15.2864 k = 0.0000-0.0915 0.0353 ( 3282 PWs) bands (ev): -14.1205 -14.1190 -12.5717 -12.5651 -11.9173 -11.9122 -11.1592 -11.1573 -10.5875 -10.5854 -10.2175 -10.2143 -2.1717 -2.1549 -1.6224 -1.6193 -0.3178 -0.3062 0.1361 0.1499 0.6356 0.7252 1.1074 1.1404 1.5018 1.5604 2.2980 2.3491 2.7936 2.8896 3.5168 3.5558 3.7511 3.8238 4.1832 4.2401 4.4121 4.4545 4.9685 4.9938 5.0877 5.1346 5.5479 5.5977 6.4049 6.4148 6.7570 6.7621 7.2762 7.3010 10.1548 10.2956 11.6681 11.6908 13.2050 13.3268 14.4824 14.6210 15.2263 15.2775 k = 0.0000-0.0801 0.0309 ( 3282 PWs) bands (ev): -14.1308 -14.1295 -12.5717 -12.5658 -11.9219 -11.9173 -11.1496 -11.1478 -10.5771 -10.5753 -10.2143 -10.2114 -2.1465 -2.1314 -1.6261 -1.6231 -0.3120 -0.3010 0.1224 0.1343 0.6326 0.7147 1.0981 1.1299 1.4892 1.5417 2.3271 2.3734 2.8059 2.8930 3.5173 3.5560 3.7550 3.8322 4.1539 4.2188 4.4080 4.4425 4.9694 5.0079 5.0645 5.1261 5.5247 5.5729 6.4128 6.4212 6.7733 6.7784 7.2731 7.2956 10.1711 10.2954 11.6759 11.6958 13.2098 13.3188 14.4607 14.5832 15.2303 15.2707 k = 0.0000-0.0686 0.0265 ( 3284 PWs) bands (ev): -14.1398 -14.1386 -12.5715 -12.5664 -11.9260 -11.9220 -11.1412 -11.1397 -10.5679 -10.5663 -10.2115 -10.2089 -2.1244 -2.1111 -1.6286 -1.6259 -0.3062 -0.2959 0.1085 0.1188 0.6318 0.7049 1.0909 1.1205 1.4780 1.5242 2.3543 2.3954 2.8181 2.8953 3.5166 3.5527 3.7639 3.8429 4.1255 4.1960 4.4035 4.4312 4.9657 5.0115 5.0573 5.1275 5.5012 5.5476 6.4196 6.4266 6.7878 6.7927 7.2705 7.2904 10.1868 10.2942 11.6835 11.7006 13.2153 13.3107 14.4414 14.5477 15.2341 15.2655 k = 0.0000-0.0572 0.0221 ( 3282 PWs) bands (ev): -14.1474 -14.1464 -12.5712 -12.5669 -11.9295 -11.9261 -11.1340 -11.1327 -10.5600 -10.5586 -10.2090 -10.2068 -2.1054 -2.0941 -1.6301 -1.6276 -0.3005 -0.2913 0.0952 0.1040 0.6328 0.6955 1.0859 1.1124 1.4686 1.5080 2.3791 2.4144 2.8301 2.8964 3.5153 3.5471 3.7769 3.8547 4.0991 4.1719 4.3989 4.4209 4.9588 4.9978 5.0723 5.1367 5.4782 5.5220 6.4252 6.4310 6.8004 6.8048 7.2684 7.2856 10.2018 10.2919 11.6906 11.7049 13.2214 13.3024 14.4253 14.5149 15.2375 15.2616 k = 0.0000-0.0457 0.0177 ( 3280 PWs) bands (ev): -14.1535 -14.1528 -12.5708 -12.5673 -11.9325 -11.9297 -11.1281 -11.1271 -10.5534 -10.5523 -10.2069 -10.2051 -2.0897 -2.0805 -1.6307 -1.6287 -0.2952 -0.2872 0.0834 0.0906 0.6351 0.6865 1.0829 1.1053 1.4613 1.4934 2.4010 2.4299 2.8416 2.8960 3.5141 3.5404 3.7926 3.8659 4.0763 4.1473 4.3947 4.4118 4.9509 4.9806 5.0952 5.1503 5.4564 5.4966 6.4299 6.4344 6.8110 6.8147 7.2671 7.2811 10.2160 10.2884 11.6970 11.7085 13.2282 13.2939 14.4131 14.4856 15.2407 15.2586 k = 0.0000-0.0343 0.0132 ( 3280 PWs) bands (ev): -14.1583 -14.1578 -12.5704 -12.5678 -11.9348 -11.9327 -11.1235 -11.1228 -10.5481 -10.5473 -10.2052 -10.2038 -2.0773 -2.0703 -1.6308 -1.6292 -0.2903 -0.2840 0.0736 0.0792 0.6386 0.6777 1.0817 1.0993 1.4562 1.4808 2.4195 2.4416 2.8524 2.8942 3.5134 3.5336 3.8101 3.8742 4.0592 4.1228 4.3915 4.4041 4.9439 4.9652 5.1194 5.1643 5.4376 5.4723 6.4336 6.4370 6.8193 6.8223 7.2664 7.2771 10.2292 10.2837 11.7025 11.7112 13.2355 13.2854 14.4052 14.4601 15.2436 15.2562 k = 0.0000-0.0229 0.0088 ( 3283 PWs) bands (ev): -14.1618 -14.1614 -12.5699 -12.5682 -11.9363 -11.9349 -11.1202 -11.1197 -10.5443 -10.5438 -10.2039 -10.2030 -2.0682 -2.0634 -1.6306 -1.6295 -0.2863 -0.2818 0.0664 0.0703 0.6431 0.6695 1.0821 1.0942 1.4537 1.4703 2.4341 2.4491 2.8625 2.8908 3.5137 3.5272 3.8283 3.8771 4.0503 4.0994 4.3895 4.3979 4.9392 4.9530 5.1423 5.1751 5.4238 5.4502 6.4364 6.4386 6.8255 6.8275 7.2664 7.2736 10.2413 10.2778 11.7070 11.7129 13.2432 13.2768 14.4020 14.4389 15.2461 15.2542 k = 0.0000-0.0114 0.0044 ( 3281 PWs) bands (ev): -14.1638 -14.1636 -12.5695 -12.5686 -11.9371 -11.9364 -11.1181 -11.1179 -10.5420 -10.5417 -10.2030 -10.2026 -2.0622 -2.0598 -1.6302 -1.6296 -0.2832 -0.2809 0.0624 0.0643 0.6485 0.6617 1.0837 1.0899 1.4538 1.4622 2.4446 2.4522 2.8715 2.8858 3.5151 3.5219 3.8459 3.8726 4.0513 4.0784 4.3891 4.3933 4.9374 4.9442 5.1616 5.1793 5.4176 5.4322 6.4383 6.4394 6.8294 6.8305 7.2671 7.2708 10.2523 10.2705 11.7104 11.7133 13.2513 13.2682 14.4038 14.4223 15.2484 15.2523 k = 0.0000 0.0000 0.0000 ( 3281 PWs) bands (ev): -14.1644 -14.1644 -12.5690 -12.5690 -11.9372 -11.9372 -11.1174 -11.1174 -10.5411 -10.5411 -10.2026 -10.2026 -2.0594 -2.0594 -1.6299 -1.6299 -0.2814 -0.2814 0.0617 0.0617 0.6547 0.6547 1.0864 1.0864 1.4566 1.4566 2.4506 2.4506 2.8794 2.8794 3.5178 3.5178 3.8615 3.8615 4.0615 4.0615 4.3903 4.3903 4.9390 4.9390 5.1747 5.1747 5.4206 5.4206 6.4393 6.4393 6.8311 6.8311 7.2686 7.2686 10.2620 10.2620 11.7125 11.7125 13.2597 13.2597 14.4105 14.4105 15.2504 15.2504 Writing output data file BixBO2x3.save init_run : 1.69s CPU 12.07s WALL ( 1 calls) electrons : 1065.95s CPU 1076.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 1065.92s CPU 1075.82s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.84s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.16s CPU 0.61s WALL ( 1 calls) newd : 0.07s CPU 0.37s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 342 calls) cegterg : 1002.45s CPU 1009.11s WALL ( 1032 calls) Called by sum_band: Called by *egterg: h_psi : 366.56s CPU 376.73s WALL ( 18653 calls) s_psi : 24.01s CPU 24.76s WALL ( 18653 calls) g_psi : 0.77s CPU 0.80s WALL ( 17279 calls) cdiaghg : 473.64s CPU 472.45s WALL ( 17621 calls) cegterg:over : 79.18s CPU 76.33s WALL ( 17279 calls) cegterg:upda : 19.64s CPU 22.86s WALL ( 17279 calls) cegterg:last : 13.89s CPU 14.58s WALL ( 2400 calls) Called by h_psi: h_psi:vloc : 294.68s CPU 303.34s WALL ( 18653 calls) h_psi:vnl : 71.42s CPU 72.47s WALL ( 18653 calls) add_vuspsi : 19.41s CPU 23.53s WALL ( 18653 calls) General routines calbec : 51.95s CPU 48.82s WALL ( 18653 calls) fft : 0.64s CPU 1.51s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 282.73s CPU 287.40s WALL ( 1746892 calls) interpolate : 0.05s CPU 0.08s WALL ( 4 calls) davcio : 0.07s CPU 2.99s WALL ( 684 calls) Parallel routines fft_scatter : 177.24s CPU 181.98s WALL ( 1746915 calls) PWSCF : 18m49.37s CPU 20m23.58s WALL This run was terminated on: 16: 1:51 18Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=