Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:59:43 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaYS2.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 56 16 1662 1246 193 Max 69 57 17 1665 1261 195 Sum 2449 2029 589 59891 45047 6965 bravais-lattice index = 14 lattice parameter (alat) = 13.2394 a.u. unit-cell volume = 607.0386 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.239355 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.840224 celldm(5)= 0.840224 celldm(6)= 0.840224 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.840224 0.542240 0.000000 ) a(3) = ( 0.840224 0.247580 0.482419 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.549543 -0.946455 ) b(2) = ( 0.000000 1.844203 -0.946455 ) b(3) = ( 0.000000 0.000000 2.072887 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Na 9.00 22.98980 Na( 1.00) Y 11.00 88.90590 Y( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0106383 -0.0164845 -0.0100687), wk = 0.0032258 k( 3) = ( 0.0212766 -0.0329690 -0.0201373), wk = 0.0032258 k( 4) = ( 0.0319149 -0.0494535 -0.0302060), wk = 0.0032258 k( 5) = ( 0.0425532 -0.0659380 -0.0402747), wk = 0.0032258 k( 6) = ( 0.0531915 -0.0824225 -0.0503433), wk = 0.0032258 k( 7) = ( 0.0638298 -0.0989070 -0.0604120), wk = 0.0032258 k( 8) = ( 0.0744681 -0.1153915 -0.0704807), wk = 0.0032258 k( 9) = ( 0.0851064 -0.1318760 -0.0805494), wk = 0.0032258 k( 10) = ( 0.0957447 -0.1483605 -0.0906180), wk = 0.0032258 k( 11) = ( 0.1063830 -0.1648450 -0.1006867), wk = 0.0032258 k( 12) = ( 0.1170213 -0.1813295 -0.1107554), wk = 0.0032258 k( 13) = ( 0.1276596 -0.1978140 -0.1208240), wk = 0.0032258 k( 14) = ( 0.1382979 -0.2142985 -0.1308927), wk = 0.0032258 k( 15) = ( 0.1489362 -0.2307830 -0.1409614), wk = 0.0032258 k( 16) = ( 0.1595745 -0.2472675 -0.1510300), wk = 0.0032258 k( 17) = ( 0.1702128 -0.2637520 -0.1610987), wk = 0.0032258 k( 18) = ( 0.1808511 -0.2802365 -0.1711674), wk = 0.0032258 k( 19) = ( 0.1914894 -0.2967210 -0.1812361), wk = 0.0032258 k( 20) = ( 0.2021277 -0.3132055 -0.1913047), wk = 0.0032258 k( 21) = ( 0.2127660 -0.3296900 -0.2013734), wk = 0.0032258 k( 22) = ( 0.2234043 -0.3461745 -0.2114421), wk = 0.0032258 k( 23) = ( 0.2340425 -0.3626590 -0.2215107), wk = 0.0032258 k( 24) = ( 0.2446809 -0.3791435 -0.2315794), wk = 0.0032258 k( 25) = ( 0.2553191 -0.3956280 -0.2416481), wk = 0.0032258 k( 26) = ( 0.2659574 -0.4121125 -0.2517167), wk = 0.0032258 k( 27) = ( 0.2765957 -0.4285970 -0.2617854), wk = 0.0032258 k( 28) = ( 0.2872340 -0.4450815 -0.2718541), wk = 0.0032258 k( 29) = ( 0.2978723 -0.4615660 -0.2819228), wk = 0.0032258 k( 30) = ( 0.3085106 -0.4780505 -0.2919914), wk = 0.0032258 k( 31) = ( 0.3191489 -0.4945350 -0.3020601), wk = 0.0032258 k( 32) = ( 0.3297872 -0.5110195 -0.3121288), wk = 0.0032258 k( 33) = ( 0.3404255 -0.5275040 -0.3221974), wk = 0.0032258 k( 34) = ( 0.3510638 -0.5439885 -0.3322661), wk = 0.0032258 k( 35) = ( 0.3617021 -0.5604730 -0.3423348), wk = 0.0032258 k( 36) = ( 0.3723404 -0.5769575 -0.3524034), wk = 0.0032258 k( 37) = ( 0.3829787 -0.5934420 -0.3624721), wk = 0.0032258 k( 38) = ( 0.3936170 -0.6099265 -0.3725408), wk = 0.0032258 k( 39) = ( 0.4042553 -0.6264110 -0.3826094), wk = 0.0032258 k( 40) = ( 0.4148936 -0.6428955 -0.3926781), wk = 0.0032258 k( 41) = ( 0.4255319 -0.6593800 -0.4027468), wk = 0.0032258 k( 42) = ( 0.4361702 -0.6758645 -0.4128155), wk = 0.0032258 k( 43) = ( 0.4468085 -0.6923490 -0.4228841), wk = 0.0032258 k( 44) = ( 0.4574468 -0.7088335 -0.4329528), wk = 0.0032258 k( 45) = ( 0.4680851 -0.7253180 -0.4430215), wk = 0.0032258 k( 46) = ( 0.4787234 -0.7418024 -0.4530901), wk = 0.0032258 k( 47) = ( 0.4893617 -0.7582870 -0.4631588), wk = 0.0032258 k( 48) = ( 0.5000000 -0.7747715 -0.4732275), wk = 0.0032258 k( 49) = ( 0.5000000 -0.7747715 -0.4732275), wk = 0.0032258 k( 50) = ( 0.5000000 -0.7633044 -0.4920013), wk = 0.0032258 k( 51) = ( 0.5000000 -0.7518374 -0.5107752), wk = 0.0032258 k( 52) = ( 0.5000000 -0.7403704 -0.5295491), wk = 0.0032258 k( 53) = ( 0.5000000 -0.7289034 -0.5483229), wk = 0.0032258 k( 54) = ( 0.5000000 -0.7174364 -0.5670968), wk = 0.0032258 k( 55) = ( 0.5000000 -0.7059694 -0.5858707), wk = 0.0032258 k( 56) = ( 0.5000000 -0.6945024 -0.6046445), wk = 0.0032258 k( 57) = ( 0.5000000 -0.6830354 -0.6234184), wk = 0.0032258 k( 58) = ( 0.5000000 -0.6715684 -0.6421923), wk = 0.0032258 k( 59) = ( 0.5000000 -0.6601014 -0.6609661), wk = 0.0032258 k( 60) = ( 0.5000000 -0.6486344 -0.6797400), wk = 0.0032258 k( 61) = ( 0.5000000 -0.6371674 -0.6985139), wk = 0.0032258 k( 62) = ( 0.5000000 -0.6257004 -0.7172877), wk = 0.0032258 k( 63) = ( 0.5000000 -0.6142334 -0.7360616), wk = 0.0032258 k( 64) = ( 0.5000000 -0.6027663 -0.7548355), wk = 0.0032258 k( 65) = ( 0.5000000 -0.5912994 -0.7736093), wk = 0.0032258 k( 66) = ( 0.5000000 -0.5798323 -0.7923832), wk = 0.0032258 k( 67) = ( 0.5000000 -0.5683653 -0.8111571), wk = 0.0032258 k( 68) = ( 0.5000000 -0.5568983 -0.8299309), wk = 0.0032258 k( 69) = ( 0.5000000 -0.5454313 -0.8487048), wk = 0.0032258 k( 70) = ( 0.5000000 -0.5339643 -0.8674787), wk = 0.0032258 k( 71) = ( 0.5000000 -0.5224973 -0.8862525), wk = 0.0032258 k( 72) = ( 0.5000000 -0.5110303 -0.9050264), wk = 0.0032258 k( 73) = ( 0.5000000 -0.4995633 -0.9238003), wk = 0.0032258 k( 74) = ( 0.5000000 -0.4880963 -0.9425741), wk = 0.0032258 k( 75) = ( 0.5000000 -0.4766293 -0.9613480), wk = 0.0032258 k( 76) = ( 0.5000000 -0.4651623 -0.9801219), wk = 0.0032258 k( 77) = ( 0.5000000 -0.4536953 -0.9988957), wk = 0.0032258 k( 78) = ( 0.5000000 -0.4422283 -1.0176696), wk = 0.0032258 k( 79) = ( 0.5000000 -0.4307613 -1.0364435), wk = 0.0032258 k( 80) = ( 0.8134640 -0.3383961 -0.8564664), wk = 0.0032258 k( 81) = ( 0.8071947 -0.3286815 -0.8375373), wk = 0.0032258 k( 82) = ( 0.8009254 -0.3189670 -0.8186082), wk = 0.0032258 k( 83) = ( 0.7946562 -0.3092525 -0.7996791), wk = 0.0032258 k( 84) = ( 0.7883869 -0.2995380 -0.7807500), wk = 0.0032258 k( 85) = ( 0.7821176 -0.2898235 -0.7618209), wk = 0.0032258 k( 86) = ( 0.7758483 -0.2801089 -0.7428918), wk = 0.0032258 k( 87) = ( 0.7695790 -0.2703944 -0.7239627), wk = 0.0032258 k( 88) = ( 0.7633098 -0.2606799 -0.7050336), wk = 0.0032258 k( 89) = ( 0.7570405 -0.2509654 -0.6861045), wk = 0.0032258 k( 90) = ( 0.7507712 -0.2412509 -0.6671754), wk = 0.0032258 k( 91) = ( 0.7445019 -0.2315364 -0.6482463), wk = 0.0032258 k( 92) = ( 0.7382326 -0.2218218 -0.6293172), wk = 0.0032258 k( 93) = ( 0.7319634 -0.2121073 -0.6103881), wk = 0.0032258 k( 94) = ( 0.7256941 -0.2023928 -0.5914590), wk = 0.0032258 k( 95) = ( 0.7194248 -0.1926783 -0.5725299), wk = 0.0032258 k( 96) = ( 0.7131555 -0.1829638 -0.5536008), wk = 0.0032258 k( 97) = ( 0.7068862 -0.1732492 -0.5346717), wk = 0.0032258 k( 98) = ( 0.7006170 -0.1635347 -0.5157426), wk = 0.0032258 k( 99) = ( 0.6943477 -0.1538202 -0.4968135), wk = 0.0032258 k( 100) = ( 0.6880784 -0.1441057 -0.4778844), wk = 0.0032258 k( 101) = ( 0.6818091 -0.1343912 -0.4589553), wk = 0.0032258 k( 102) = ( 0.6755398 -0.1246767 -0.4400262), wk = 0.0032258 k( 103) = ( 0.6692706 -0.1149621 -0.4210971), wk = 0.0032258 k( 104) = ( 0.6630013 -0.1052476 -0.4021680), wk = 0.0032258 k( 105) = ( 0.6567320 -0.0955331 -0.3832389), wk = 0.0032258 k( 106) = ( 0.6504627 -0.0858186 -0.3643098), wk = 0.0032258 k( 107) = ( 0.6441934 -0.0761041 -0.3453808), wk = 0.0032258 k( 108) = ( 0.6379242 -0.0663896 -0.3264517), wk = 0.0032258 k( 109) = ( 0.6316549 -0.0566750 -0.3075226), wk = 0.0032258 k( 110) = ( 0.6253856 -0.0469605 -0.2885935), wk = 0.0032258 k( 111) = ( 0.6191163 -0.0372460 -0.2696644), wk = 0.0032258 k( 112) = ( 0.6128470 -0.0275315 -0.2507353), wk = 0.0032258 k( 113) = ( 0.6065778 -0.0178170 -0.2318062), wk = 0.0032258 k( 114) = ( 0.6003085 -0.0081024 -0.2128771), wk = 0.0032258 k( 115) = ( 0.5940392 0.0016121 -0.1939480), wk = 0.0032258 k( 116) = ( 0.5877699 0.0113266 -0.1750189), wk = 0.0032258 k( 117) = ( 0.5815006 0.0210411 -0.1560898), wk = 0.0032258 k( 118) = ( 0.5752314 0.0307556 -0.1371607), wk = 0.0032258 k( 119) = ( 0.5689621 0.0404701 -0.1182316), wk = 0.0032258 k( 120) = ( 0.5626928 0.0501847 -0.0993025), wk = 0.0032258 k( 121) = ( 0.5564235 0.0598992 -0.0803734), wk = 0.0032258 k( 122) = ( 0.5501542 0.0696137 -0.0614443), wk = 0.0032258 k( 123) = ( 0.5438850 0.0793282 -0.0425152), wk = 0.0032258 k( 124) = ( 0.5376157 0.0890427 -0.0235861), wk = 0.0032258 k( 125) = ( 0.5313464 0.0987573 -0.0046570), wk = 0.0032258 k( 126) = ( 0.5250771 0.1084718 0.0142721), wk = 0.0032258 k( 127) = ( 0.5188078 0.1181863 0.0332012), wk = 0.0032258 k( 128) = ( 0.5125386 0.1279008 0.0521303), wk = 0.0032258 k( 129) = ( 0.5062693 0.1376153 0.0710594), wk = 0.0032258 k( 130) = ( 0.5000000 0.1473298 0.0899885), wk = 0.0032258 k( 131) = ( 0.5000000 0.1473298 0.0899885), wk = 0.0032258 k( 132) = ( 0.4791667 0.1411911 0.0862390), wk = 0.0032258 k( 133) = ( 0.4583333 0.1350524 0.0824895), wk = 0.0032258 k( 134) = ( 0.4375000 0.1289136 0.0787399), wk = 0.0032258 k( 135) = ( 0.4166667 0.1227749 0.0749904), wk = 0.0032258 k( 136) = ( 0.3958333 0.1166361 0.0712409), wk = 0.0032258 k( 137) = ( 0.3750000 0.1104974 0.0674914), wk = 0.0032258 k( 138) = ( 0.3541667 0.1043586 0.0637419), wk = 0.0032258 k( 139) = ( 0.3333333 0.0982199 0.0599923), wk = 0.0032258 k( 140) = ( 0.3125000 0.0920812 0.0562428), wk = 0.0032258 k( 141) = ( 0.2916667 0.0859424 0.0524933), wk = 0.0032258 k( 142) = ( 0.2708333 0.0798037 0.0487438), wk = 0.0032258 k( 143) = ( 0.2500000 0.0736649 0.0449943), wk = 0.0032258 k( 144) = ( 0.2291667 0.0675262 0.0412447), wk = 0.0032258 k( 145) = ( 0.2083333 0.0613874 0.0374952), wk = 0.0032258 k( 146) = ( 0.1875000 0.0552487 0.0337457), wk = 0.0032258 k( 147) = ( 0.1666667 0.0491099 0.0299962), wk = 0.0032258 k( 148) = ( 0.1458333 0.0429712 0.0262466), wk = 0.0032258 k( 149) = ( 0.1250000 0.0368325 0.0224971), wk = 0.0032258 k( 150) = ( 0.1041667 0.0306937 0.0187476), wk = 0.0032258 k( 151) = ( 0.0833333 0.0245550 0.0149981), wk = 0.0032258 k( 152) = ( 0.0625000 0.0184162 0.0112486), wk = 0.0032258 k( 153) = ( 0.0416667 0.0122775 0.0074990), wk = 0.0032258 k( 154) = ( 0.0208333 0.0061387 0.0037495), wk = 0.0032258 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 157) = ( 0.0062412 -0.0096711 -0.0188444), wk = 0.0032258 k( 158) = ( 0.0124825 -0.0193421 -0.0376888), wk = 0.0032258 k( 159) = ( 0.0187237 -0.0290132 -0.0565333), wk = 0.0032258 k( 160) = ( 0.0249649 -0.0386843 -0.0753777), wk = 0.0032258 k( 161) = ( 0.0312062 -0.0483553 -0.0942221), wk = 0.0032258 k( 162) = ( 0.0374474 -0.0580264 -0.1130666), wk = 0.0032258 k( 163) = ( 0.0436887 -0.0676975 -0.1319110), wk = 0.0032258 k( 164) = ( 0.0499299 -0.0773685 -0.1507554), wk = 0.0032258 k( 165) = ( 0.0561711 -0.0870396 -0.1695998), wk = 0.0032258 k( 166) = ( 0.0624124 -0.0967106 -0.1884443), wk = 0.0032258 k( 167) = ( 0.0686536 -0.1063817 -0.2072887), wk = 0.0032258 k( 168) = ( 0.0748948 -0.1160528 -0.2261331), wk = 0.0032258 k( 169) = ( 0.0811361 -0.1257238 -0.2449775), wk = 0.0032258 k( 170) = ( 0.0873773 -0.1353949 -0.2638220), wk = 0.0032258 k( 171) = ( 0.0936185 -0.1450660 -0.2826664), wk = 0.0032258 k( 172) = ( 0.0998598 -0.1547370 -0.3015108), wk = 0.0032258 k( 173) = ( 0.1061010 -0.1644081 -0.3203553), wk = 0.0032258 k( 174) = ( 0.1123423 -0.1740792 -0.3391997), wk = 0.0032258 k( 175) = ( 0.1185835 -0.1837502 -0.3580441), wk = 0.0032258 k( 176) = ( 0.1248247 -0.1934213 -0.3768885), wk = 0.0032258 k( 177) = ( 0.1310660 -0.2030923 -0.3957330), wk = 0.0032258 k( 178) = ( 0.1373072 -0.2127634 -0.4145774), wk = 0.0032258 k( 179) = ( 0.1435484 -0.2224345 -0.4334218), wk = 0.0032258 k( 180) = ( 0.1497897 -0.2321055 -0.4522663), wk = 0.0032258 k( 181) = ( 0.1560309 -0.2417766 -0.4711107), wk = 0.0032258 k( 182) = ( 0.1622722 -0.2514477 -0.4899551), wk = 0.0032258 k( 183) = ( 0.1685134 -0.2611187 -0.5087995), wk = 0.0032258 k( 184) = ( 0.1747546 -0.2707898 -0.5276439), wk = 0.0032258 k( 185) = ( 0.1809959 -0.2804609 -0.5464884), wk = 0.0032258 k( 186) = ( 0.1872371 -0.2901319 -0.5653328), wk = 0.0032258 k( 187) = ( 0.1934783 -0.2998030 -0.5841772), wk = 0.0032258 k( 188) = ( 0.1997196 -0.3094740 -0.6030217), wk = 0.0032258 k( 189) = ( 0.2059608 -0.3191451 -0.6218661), wk = 0.0032258 k( 190) = ( 0.2122020 -0.3288162 -0.6407105), wk = 0.0032258 k( 191) = ( 0.2184433 -0.3384872 -0.6595549), wk = 0.0032258 k( 192) = ( 0.2246845 -0.3481583 -0.6783993), wk = 0.0032258 k( 193) = ( 0.2309258 -0.3578294 -0.6972438), wk = 0.0032258 k( 194) = ( 0.2371670 -0.3675004 -0.7160882), wk = 0.0032258 k( 195) = ( 0.2434082 -0.3771715 -0.7349326), wk = 0.0032258 k( 196) = ( 0.2496495 -0.3868425 -0.7537771), wk = 0.0032258 k( 197) = ( 0.2558907 -0.3965136 -0.7726215), wk = 0.0032258 k( 198) = ( 0.2621319 -0.4061847 -0.7914659), wk = 0.0032258 k( 199) = ( 0.2683732 -0.4158557 -0.8103103), wk = 0.0032258 k( 200) = ( 0.2746144 -0.4255268 -0.8291548), wk = 0.0032258 k( 201) = ( 0.2808556 -0.4351979 -0.8479992), wk = 0.0032258 k( 202) = ( 0.2870969 -0.4448689 -0.8668436), wk = 0.0032258 k( 203) = ( 0.2933381 -0.4545400 -0.8856880), wk = 0.0032258 k( 204) = ( 0.2995794 -0.4642111 -0.9045325), wk = 0.0032258 k( 205) = ( 0.3058206 -0.4738821 -0.9233769), wk = 0.0032258 k( 206) = ( 0.3120618 -0.4835532 -0.9422213), wk = 0.0032258 k( 207) = ( 0.3183031 -0.4932242 -0.9610658), wk = 0.0032258 k( 208) = ( 0.3245443 -0.5028953 -0.9799102), wk = 0.0032258 k( 209) = ( 0.3307855 -0.5125664 -0.9987546), wk = 0.0032258 k( 210) = ( 0.3370268 -0.5222374 -1.0175990), wk = 0.0032258 k( 211) = ( 0.3432680 -0.5319085 -1.0364435), wk = 0.0032258 k( 212) = ( 0.6567320 -0.3845786 -0.9464549), wk = 0.0032258 k( 213) = ( 0.6504627 -0.3633023 -0.9464549), wk = 0.0032258 k( 214) = ( 0.6441934 -0.3420260 -0.9464549), wk = 0.0032258 k( 215) = ( 0.6379242 -0.3207497 -0.9464549), wk = 0.0032258 k( 216) = ( 0.6316549 -0.2994733 -0.9464549), wk = 0.0032258 k( 217) = ( 0.6253856 -0.2781970 -0.9464549), wk = 0.0032258 k( 218) = ( 0.6191163 -0.2569206 -0.9464549), wk = 0.0032258 k( 219) = ( 0.6128470 -0.2356443 -0.9464549), wk = 0.0032258 k( 220) = ( 0.6065778 -0.2143679 -0.9464549), wk = 0.0032258 k( 221) = ( 0.6003085 -0.1930916 -0.9464549), wk = 0.0032258 k( 222) = ( 0.5940392 -0.1718153 -0.9464549), wk = 0.0032258 k( 223) = ( 0.5877699 -0.1505389 -0.9464549), wk = 0.0032258 k( 224) = ( 0.5815006 -0.1292626 -0.9464549), wk = 0.0032258 k( 225) = ( 0.5752314 -0.1079862 -0.9464549), wk = 0.0032258 k( 226) = ( 0.5689621 -0.0867099 -0.9464549), wk = 0.0032258 k( 227) = ( 0.5626928 -0.0654336 -0.9464549), wk = 0.0032258 k( 228) = ( 0.5564235 -0.0441572 -0.9464549), wk = 0.0032258 k( 229) = ( 0.5501542 -0.0228809 -0.9464549), wk = 0.0032258 k( 230) = ( 0.5438850 -0.0016045 -0.9464549), wk = 0.0032258 k( 231) = ( 0.5376157 0.0196718 -0.9464549), wk = 0.0032258 k( 232) = ( 0.5313464 0.0409481 -0.9464549), wk = 0.0032258 k( 233) = ( 0.5250771 0.0622245 -0.9464549), wk = 0.0032258 k( 234) = ( 0.5188078 0.0835008 -0.9464549), wk = 0.0032258 k( 235) = ( 0.5125386 0.1047772 -0.9464549), wk = 0.0032258 k( 236) = ( 0.5062693 0.1260535 -0.9464549), wk = 0.0032258 k( 237) = ( 0.5000000 0.1473298 -0.9464549), wk = 0.0032258 k( 238) = ( 0.5000000 0.1473298 -0.9464549), wk = 0.0032258 k( 239) = ( 0.5174147 0.1524612 -0.9364562), wk = 0.0032258 k( 240) = ( 0.5348293 0.1575926 -0.9264575), wk = 0.0032258 k( 241) = ( 0.5522440 0.1627240 -0.9164588), wk = 0.0032258 k( 242) = ( 0.5696587 0.1678554 -0.9064601), wk = 0.0032258 k( 243) = ( 0.5870733 0.1729868 -0.8964613), wk = 0.0032258 k( 244) = ( 0.6044880 0.1781182 -0.8864626), wk = 0.0032258 k( 245) = ( 0.6219027 0.1832496 -0.8764639), wk = 0.0032258 k( 246) = ( 0.6393173 0.1883810 -0.8664652), wk = 0.0032258 k( 247) = ( 0.6567320 0.1935124 -0.8564664), wk = 0.0032258 k( 248) = ( 0.6567320 0.1935124 -0.8564664), wk = 0.0032258 k( 249) = ( 0.6531699 0.1924628 -0.8349561), wk = 0.0032258 k( 250) = ( 0.6496078 0.1914132 -0.8134458), wk = 0.0032258 k( 251) = ( 0.6460457 0.1903636 -0.7919354), wk = 0.0032258 k( 252) = ( 0.6424836 0.1893140 -0.7704251), wk = 0.0032258 k( 253) = ( 0.6389215 0.1882644 -0.7489147), wk = 0.0032258 k( 254) = ( 0.6353595 0.1872148 -0.7274044), wk = 0.0032258 k( 255) = ( 0.6317974 0.1861652 -0.7058941), wk = 0.0032258 k( 256) = ( 0.6282353 0.1851156 -0.6843837), wk = 0.0032258 k( 257) = ( 0.6246732 0.1840660 -0.6628734), wk = 0.0032258 k( 258) = ( 0.6211111 0.1830164 -0.6413630), wk = 0.0032258 k( 259) = ( 0.6175490 0.1819668 -0.6198527), wk = 0.0032258 k( 260) = ( 0.6139869 0.1809172 -0.5983424), wk = 0.0032258 k( 261) = ( 0.6104248 0.1798676 -0.5768320), wk = 0.0032258 k( 262) = ( 0.6068627 0.1788180 -0.5553217), wk = 0.0032258 k( 263) = ( 0.6033006 0.1777684 -0.5338113), wk = 0.0032258 k( 264) = ( 0.5997385 0.1767188 -0.5123010), wk = 0.0032258 k( 265) = ( 0.5961764 0.1756692 -0.4907907), wk = 0.0032258 k( 266) = ( 0.5926144 0.1746196 -0.4692803), wk = 0.0032258 k( 267) = ( 0.5890523 0.1735700 -0.4477700), wk = 0.0032258 k( 268) = ( 0.5854902 0.1725204 -0.4262596), wk = 0.0032258 k( 269) = ( 0.5819281 0.1714708 -0.4047493), wk = 0.0032258 k( 270) = ( 0.5783660 0.1704211 -0.3832390), wk = 0.0032258 k( 271) = ( 0.5748039 0.1693715 -0.3617286), wk = 0.0032258 k( 272) = ( 0.5712418 0.1683219 -0.3402183), wk = 0.0032258 k( 273) = ( 0.5676797 0.1672723 -0.3187080), wk = 0.0032258 k( 274) = ( 0.5641176 0.1662227 -0.2971976), wk = 0.0032258 k( 275) = ( 0.5605555 0.1651731 -0.2756873), wk = 0.0032258 k( 276) = ( 0.5569935 0.1641235 -0.2541769), wk = 0.0032258 k( 277) = ( 0.5534314 0.1630739 -0.2326666), wk = 0.0032258 k( 278) = ( 0.5498693 0.1620243 -0.2111562), wk = 0.0032258 k( 279) = ( 0.5463072 0.1609747 -0.1896459), wk = 0.0032258 k( 280) = ( 0.5427451 0.1599251 -0.1681356), wk = 0.0032258 k( 281) = ( 0.5391830 0.1588755 -0.1466252), wk = 0.0032258 k( 282) = ( 0.5356209 0.1578259 -0.1251149), wk = 0.0032258 k( 283) = ( 0.5320588 0.1567763 -0.1036045), wk = 0.0032258 k( 284) = ( 0.5284967 0.1557267 -0.0820942), wk = 0.0032258 k( 285) = ( 0.5249346 0.1546771 -0.0605839), wk = 0.0032258 k( 286) = ( 0.5213725 0.1536275 -0.0390735), wk = 0.0032258 k( 287) = ( 0.5178105 0.1525779 -0.0175632), wk = 0.0032258 k( 288) = ( 0.5142484 0.1515283 0.0039472), wk = 0.0032258 k( 289) = ( 0.5106863 0.1504787 0.0254575), wk = 0.0032258 k( 290) = ( 0.5071242 0.1494291 0.0469678), wk = 0.0032258 k( 291) = ( 0.5035621 0.1483794 0.0684782), wk = 0.0032258 k( 292) = ( 0.5000000 0.1473298 0.0899885), wk = 0.0032258 k( 293) = ( 0.5000000 -0.7747715 -0.4732275), wk = 0.0032258 k( 294) = ( 0.5184391 -0.7661050 -0.4679340), wk = 0.0032258 k( 295) = ( 0.5368781 -0.7574385 -0.4626406), wk = 0.0032258 k( 296) = ( 0.5553172 -0.7487721 -0.4573471), wk = 0.0032258 k( 297) = ( 0.5737562 -0.7401056 -0.4520537), wk = 0.0032258 k( 298) = ( 0.5921953 -0.7314391 -0.4467603), wk = 0.0032258 k( 299) = ( 0.6106343 -0.7227727 -0.4414668), wk = 0.0032258 k( 300) = ( 0.6290734 -0.7141062 -0.4361734), wk = 0.0032258 k( 301) = ( 0.6475125 -0.7054398 -0.4308799), wk = 0.0032258 k( 302) = ( 0.6659515 -0.6967733 -0.4255865), wk = 0.0032258 k( 303) = ( 0.6843906 -0.6881068 -0.4202930), wk = 0.0032258 k( 304) = ( 0.7028296 -0.6794404 -0.4149996), wk = 0.0032258 k( 305) = ( 0.7212687 -0.6707739 -0.4097062), wk = 0.0032258 k( 306) = ( 0.7397078 -0.6621075 -0.4044127), wk = 0.0032258 k( 307) = ( 0.7581468 -0.6534410 -0.3991193), wk = 0.0032258 k( 308) = ( 0.7765859 -0.6447745 -0.3938258), wk = 0.0032258 k( 309) = ( 0.7950249 -0.6361081 -0.3885324), wk = 0.0032258 k( 310) = ( 0.8134640 -0.6274416 -0.3832390), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0106383 -0.0000000 -0.0000000), wk = 0.0032258 k( 3) = ( 0.0212766 -0.0000000 -0.0000000), wk = 0.0032258 k( 4) = ( 0.0319149 0.0000000 -0.0000000), wk = 0.0032258 k( 5) = ( 0.0425532 -0.0000000 0.0000000), wk = 0.0032258 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0032258 k( 7) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0032258 k( 8) = ( 0.0744681 -0.0000000 0.0000000), wk = 0.0032258 k( 9) = ( 0.0851064 -0.0000000 0.0000000), wk = 0.0032258 k( 10) = ( 0.0957447 -0.0000000 -0.0000000), wk = 0.0032258 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0032258 k( 12) = ( 0.1170213 0.0000000 0.0000000), wk = 0.0032258 k( 13) = ( 0.1276596 0.0000000 -0.0000000), wk = 0.0032258 k( 14) = ( 0.1382979 0.0000000 -0.0000000), wk = 0.0032258 k( 15) = ( 0.1489362 -0.0000000 -0.0000000), wk = 0.0032258 k( 16) = ( 0.1595745 -0.0000000 -0.0000000), wk = 0.0032258 k( 17) = ( 0.1702128 -0.0000000 -0.0000000), wk = 0.0032258 k( 18) = ( 0.1808511 0.0000000 -0.0000000), wk = 0.0032258 k( 19) = ( 0.1914894 -0.0000000 -0.0000000), wk = 0.0032258 k( 20) = ( 0.2021277 0.0000000 -0.0000000), wk = 0.0032258 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0032258 k( 22) = ( 0.2234043 -0.0000000 0.0000000), wk = 0.0032258 k( 23) = ( 0.2340425 0.0000000 0.0000000), wk = 0.0032258 k( 24) = ( 0.2446809 -0.0000000 -0.0000000), wk = 0.0032258 k( 25) = ( 0.2553191 0.0000000 0.0000000), wk = 0.0032258 k( 26) = ( 0.2659574 0.0000000 -0.0000000), wk = 0.0032258 k( 27) = ( 0.2765957 0.0000000 -0.0000000), wk = 0.0032258 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0032258 k( 29) = ( 0.2978723 -0.0000000 -0.0000000), wk = 0.0032258 k( 30) = ( 0.3085106 0.0000000 -0.0000000), wk = 0.0032258 k( 31) = ( 0.3191489 -0.0000000 -0.0000000), wk = 0.0032258 k( 32) = ( 0.3297872 -0.0000000 0.0000000), wk = 0.0032258 k( 33) = ( 0.3404255 -0.0000000 -0.0000000), wk = 0.0032258 k( 34) = ( 0.3510638 -0.0000000 -0.0000000), wk = 0.0032258 k( 35) = ( 0.3617021 0.0000000 0.0000000), wk = 0.0032258 k( 36) = ( 0.3723404 0.0000000 0.0000000), wk = 0.0032258 k( 37) = ( 0.3829787 -0.0000000 -0.0000000), wk = 0.0032258 k( 38) = ( 0.3936170 -0.0000000 -0.0000000), wk = 0.0032258 k( 39) = ( 0.4042553 0.0000000 -0.0000000), wk = 0.0032258 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0032258 k( 41) = ( 0.4255319 0.0000000 0.0000000), wk = 0.0032258 k( 42) = ( 0.4361702 -0.0000000 -0.0000000), wk = 0.0032258 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0032258 k( 44) = ( 0.4574468 0.0000000 0.0000000), wk = 0.0032258 k( 45) = ( 0.4680851 0.0000000 -0.0000000), wk = 0.0032258 k( 46) = ( 0.4787234 0.0000000 -0.0000000), wk = 0.0032258 k( 47) = ( 0.4893617 -0.0000000 -0.0000000), wk = 0.0032258 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032258 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032258 k( 50) = ( 0.5000000 0.0062179 -0.0062179), wk = 0.0032258 k( 51) = ( 0.5000000 0.0124357 -0.0124357), wk = 0.0032258 k( 52) = ( 0.5000000 0.0186536 -0.0186536), wk = 0.0032258 k( 53) = ( 0.5000000 0.0248715 -0.0248715), wk = 0.0032258 k( 54) = ( 0.5000000 0.0310893 -0.0310893), wk = 0.0032258 k( 55) = ( 0.5000000 0.0373072 -0.0373072), wk = 0.0032258 k( 56) = ( 0.5000000 0.0435251 -0.0435251), wk = 0.0032258 k( 57) = ( 0.5000000 0.0497429 -0.0497429), wk = 0.0032258 k( 58) = ( 0.5000000 0.0559608 -0.0559608), wk = 0.0032258 k( 59) = ( 0.5000000 0.0621787 -0.0621787), wk = 0.0032258 k( 60) = ( 0.5000000 0.0683965 -0.0683965), wk = 0.0032258 k( 61) = ( 0.5000000 0.0746144 -0.0746144), wk = 0.0032258 k( 62) = ( 0.5000000 0.0808323 -0.0808323), wk = 0.0032258 k( 63) = ( 0.5000000 0.0870501 -0.0870501), wk = 0.0032258 k( 64) = ( 0.5000000 0.0932680 -0.0932680), wk = 0.0032258 k( 65) = ( 0.5000000 0.0994859 -0.0994859), wk = 0.0032258 k( 66) = ( 0.5000000 0.1057037 -0.1057037), wk = 0.0032258 k( 67) = ( 0.5000000 0.1119216 -0.1119216), wk = 0.0032258 k( 68) = ( 0.5000000 0.1181395 -0.1181395), wk = 0.0032258 k( 69) = ( 0.5000000 0.1243573 -0.1243573), wk = 0.0032258 k( 70) = ( 0.5000000 0.1305752 -0.1305752), wk = 0.0032258 k( 71) = ( 0.5000000 0.1367931 -0.1367931), wk = 0.0032258 k( 72) = ( 0.5000000 0.1430109 -0.1430109), wk = 0.0032258 k( 73) = ( 0.5000000 0.1492288 -0.1492288), wk = 0.0032258 k( 74) = ( 0.5000000 0.1554467 -0.1554467), wk = 0.0032258 k( 75) = ( 0.5000000 0.1616645 -0.1616645), wk = 0.0032258 k( 76) = ( 0.5000000 0.1678824 -0.1678824), wk = 0.0032258 k( 77) = ( 0.5000000 0.1741003 -0.1741003), wk = 0.0032258 k( 78) = ( 0.5000000 0.1803181 -0.1803181), wk = 0.0032258 k( 79) = ( 0.5000000 0.1865360 -0.1865360), wk = 0.0032258 k( 80) = ( 0.8134640 0.5000000 0.1865360), wk = 0.0032258 k( 81) = ( 0.8071947 0.5000000 0.1928053), wk = 0.0032258 k( 82) = ( 0.8009254 0.5000000 0.1990746), wk = 0.0032258 k( 83) = ( 0.7946562 0.5000000 0.2053438), wk = 0.0032258 k( 84) = ( 0.7883869 0.5000000 0.2116131), wk = 0.0032258 k( 85) = ( 0.7821176 0.5000000 0.2178824), wk = 0.0032258 k( 86) = ( 0.7758483 0.5000000 0.2241517), wk = 0.0032258 k( 87) = ( 0.7695790 0.5000000 0.2304210), wk = 0.0032258 k( 88) = ( 0.7633098 0.5000000 0.2366903), wk = 0.0032258 k( 89) = ( 0.7570405 0.5000000 0.2429595), wk = 0.0032258 k( 90) = ( 0.7507712 0.5000000 0.2492288), wk = 0.0032258 k( 91) = ( 0.7445019 0.5000000 0.2554981), wk = 0.0032258 k( 92) = ( 0.7382326 0.5000000 0.2617674), wk = 0.0032258 k( 93) = ( 0.7319634 0.5000000 0.2680366), wk = 0.0032258 k( 94) = ( 0.7256941 0.5000000 0.2743059), wk = 0.0032258 k( 95) = ( 0.7194248 0.5000000 0.2805752), wk = 0.0032258 k( 96) = ( 0.7131555 0.5000000 0.2868445), wk = 0.0032258 k( 97) = ( 0.7068862 0.5000000 0.2931138), wk = 0.0032258 k( 98) = ( 0.7006170 0.5000000 0.2993830), wk = 0.0032258 k( 99) = ( 0.6943477 0.5000000 0.3056523), wk = 0.0032258 k( 100) = ( 0.6880784 0.5000000 0.3119216), wk = 0.0032258 k( 101) = ( 0.6818091 0.5000000 0.3181909), wk = 0.0032258 k( 102) = ( 0.6755398 0.5000000 0.3244602), wk = 0.0032258 k( 103) = ( 0.6692706 0.5000000 0.3307294), wk = 0.0032258 k( 104) = ( 0.6630013 0.5000000 0.3369987), wk = 0.0032258 k( 105) = ( 0.6567320 0.5000000 0.3432680), wk = 0.0032258 k( 106) = ( 0.6504627 0.5000000 0.3495373), wk = 0.0032258 k( 107) = ( 0.6441934 0.5000000 0.3558066), wk = 0.0032258 k( 108) = ( 0.6379242 0.5000000 0.3620758), wk = 0.0032258 k( 109) = ( 0.6316549 0.5000000 0.3683451), wk = 0.0032258 k( 110) = ( 0.6253856 0.5000000 0.3746144), wk = 0.0032258 k( 111) = ( 0.6191163 0.5000000 0.3808837), wk = 0.0032258 k( 112) = ( 0.6128470 0.5000000 0.3871530), wk = 0.0032258 k( 113) = ( 0.6065778 0.5000000 0.3934222), wk = 0.0032258 k( 114) = ( 0.6003085 0.5000000 0.3996915), wk = 0.0032258 k( 115) = ( 0.5940392 0.5000000 0.4059608), wk = 0.0032258 k( 116) = ( 0.5877699 0.5000000 0.4122301), wk = 0.0032258 k( 117) = ( 0.5815006 0.5000000 0.4184994), wk = 0.0032258 k( 118) = ( 0.5752314 0.5000000 0.4247686), wk = 0.0032258 k( 119) = ( 0.5689621 0.5000000 0.4310379), wk = 0.0032258 k( 120) = ( 0.5626928 0.5000000 0.4373072), wk = 0.0032258 k( 121) = ( 0.5564235 0.5000000 0.4435765), wk = 0.0032258 k( 122) = ( 0.5501542 0.5000000 0.4498458), wk = 0.0032258 k( 123) = ( 0.5438850 0.5000000 0.4561150), wk = 0.0032258 k( 124) = ( 0.5376157 0.5000000 0.4623843), wk = 0.0032258 k( 125) = ( 0.5313464 0.5000000 0.4686536), wk = 0.0032258 k( 126) = ( 0.5250771 0.5000000 0.4749229), wk = 0.0032258 k( 127) = ( 0.5188078 0.5000000 0.4811922), wk = 0.0032258 k( 128) = ( 0.5125386 0.5000000 0.4874614), wk = 0.0032258 k( 129) = ( 0.5062693 0.5000000 0.4937307), wk = 0.0032258 k( 130) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 131) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 132) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0032258 k( 133) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0032258 k( 134) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0032258 k( 135) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0032258 k( 136) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0032258 k( 137) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032258 k( 138) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0032258 k( 139) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032258 k( 140) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0032258 k( 141) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0032258 k( 142) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0032258 k( 143) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 k( 144) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0032258 k( 145) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0032258 k( 146) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0032258 k( 147) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032258 k( 148) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0032258 k( 149) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032258 k( 150) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0032258 k( 151) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0032258 k( 152) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0032258 k( 153) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0032258 k( 154) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0032258 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 157) = ( 0.0062412 -0.0000000 -0.0062412), wk = 0.0032258 k( 158) = ( 0.0124825 0.0000000 -0.0124825), wk = 0.0032258 k( 159) = ( 0.0187237 -0.0000000 -0.0187237), wk = 0.0032258 k( 160) = ( 0.0249649 0.0000000 -0.0249649), wk = 0.0032258 k( 161) = ( 0.0312062 0.0000000 -0.0312062), wk = 0.0032258 k( 162) = ( 0.0374474 -0.0000000 -0.0374474), wk = 0.0032258 k( 163) = ( 0.0436887 0.0000000 -0.0436887), wk = 0.0032258 k( 164) = ( 0.0499299 0.0000000 -0.0499299), wk = 0.0032258 k( 165) = ( 0.0561711 -0.0000000 -0.0561711), wk = 0.0032258 k( 166) = ( 0.0624124 0.0000000 -0.0624124), wk = 0.0032258 k( 167) = ( 0.0686536 0.0000000 -0.0686536), wk = 0.0032258 k( 168) = ( 0.0748948 -0.0000000 -0.0748948), wk = 0.0032258 k( 169) = ( 0.0811361 0.0000000 -0.0811361), wk = 0.0032258 k( 170) = ( 0.0873773 0.0000000 -0.0873773), wk = 0.0032258 k( 171) = ( 0.0936185 -0.0000000 -0.0936185), wk = 0.0032258 k( 172) = ( 0.0998598 0.0000000 -0.0998598), wk = 0.0032258 k( 173) = ( 0.1061010 0.0000000 -0.1061010), wk = 0.0032258 k( 174) = ( 0.1123423 -0.0000000 -0.1123423), wk = 0.0032258 k( 175) = ( 0.1185835 0.0000000 -0.1185835), wk = 0.0032258 k( 176) = ( 0.1248247 0.0000000 -0.1248247), wk = 0.0032258 k( 177) = ( 0.1310660 -0.0000000 -0.1310660), wk = 0.0032258 k( 178) = ( 0.1373072 0.0000000 -0.1373072), wk = 0.0032258 k( 179) = ( 0.1435484 0.0000000 -0.1435484), wk = 0.0032258 k( 180) = ( 0.1497897 -0.0000000 -0.1497897), wk = 0.0032258 k( 181) = ( 0.1560309 -0.0000000 -0.1560309), wk = 0.0032258 k( 182) = ( 0.1622722 -0.0000000 -0.1622722), wk = 0.0032258 k( 183) = ( 0.1685134 0.0000000 -0.1685134), wk = 0.0032258 k( 184) = ( 0.1747546 0.0000000 -0.1747546), wk = 0.0032258 k( 185) = ( 0.1809959 -0.0000000 -0.1809959), wk = 0.0032258 k( 186) = ( 0.1872371 -0.0000000 -0.1872371), wk = 0.0032258 k( 187) = ( 0.1934783 -0.0000000 -0.1934783), wk = 0.0032258 k( 188) = ( 0.1997196 0.0000000 -0.1997196), wk = 0.0032258 k( 189) = ( 0.2059608 0.0000000 -0.2059608), wk = 0.0032258 k( 190) = ( 0.2122020 0.0000000 -0.2122020), wk = 0.0032258 k( 191) = ( 0.2184433 0.0000000 -0.2184433), wk = 0.0032258 k( 192) = ( 0.2246845 0.0000000 -0.2246845), wk = 0.0032258 k( 193) = ( 0.2309258 0.0000000 -0.2309258), wk = 0.0032258 k( 194) = ( 0.2371670 -0.0000000 -0.2371670), wk = 0.0032258 k( 195) = ( 0.2434082 0.0000000 -0.2434082), wk = 0.0032258 k( 196) = ( 0.2496495 0.0000000 -0.2496495), wk = 0.0032258 k( 197) = ( 0.2558907 -0.0000000 -0.2558907), wk = 0.0032258 k( 198) = ( 0.2621319 -0.0000000 -0.2621319), wk = 0.0032258 k( 199) = ( 0.2683732 -0.0000000 -0.2683732), wk = 0.0032258 k( 200) = ( 0.2746144 0.0000000 -0.2746144), wk = 0.0032258 k( 201) = ( 0.2808556 0.0000000 -0.2808556), wk = 0.0032258 k( 202) = ( 0.2870969 0.0000000 -0.2870969), wk = 0.0032258 k( 203) = ( 0.2933381 -0.0000000 -0.2933381), wk = 0.0032258 k( 204) = ( 0.2995794 -0.0000000 -0.2995794), wk = 0.0032258 k( 205) = ( 0.3058206 0.0000000 -0.3058206), wk = 0.0032258 k( 206) = ( 0.3120618 -0.0000000 -0.3120618), wk = 0.0032258 k( 207) = ( 0.3183031 -0.0000000 -0.3183031), wk = 0.0032258 k( 208) = ( 0.3245443 -0.0000000 -0.3245443), wk = 0.0032258 k( 209) = ( 0.3307855 0.0000000 -0.3307855), wk = 0.0032258 k( 210) = ( 0.3370268 0.0000000 -0.3370268), wk = 0.0032258 k( 211) = ( 0.3432680 0.0000000 -0.3432680), wk = 0.0032258 k( 212) = ( 0.6567320 0.3432680 0.0000000), wk = 0.0032258 k( 213) = ( 0.6504627 0.3495373 0.0000000), wk = 0.0032258 k( 214) = ( 0.6441934 0.3558066 0.0000000), wk = 0.0032258 k( 215) = ( 0.6379242 0.3620758 -0.0000000), wk = 0.0032258 k( 216) = ( 0.6316549 0.3683451 0.0000000), wk = 0.0032258 k( 217) = ( 0.6253856 0.3746144 0.0000000), wk = 0.0032258 k( 218) = ( 0.6191163 0.3808837 -0.0000000), wk = 0.0032258 k( 219) = ( 0.6128470 0.3871530 -0.0000000), wk = 0.0032258 k( 220) = ( 0.6065778 0.3934222 -0.0000000), wk = 0.0032258 k( 221) = ( 0.6003085 0.3996915 0.0000000), wk = 0.0032258 k( 222) = ( 0.5940392 0.4059608 0.0000000), wk = 0.0032258 k( 223) = ( 0.5877699 0.4122301 -0.0000000), wk = 0.0032258 k( 224) = ( 0.5815006 0.4184994 0.0000000), wk = 0.0032258 k( 225) = ( 0.5752314 0.4247686 -0.0000000), wk = 0.0032258 k( 226) = ( 0.5689621 0.4310379 0.0000000), wk = 0.0032258 k( 227) = ( 0.5626928 0.4373072 -0.0000000), wk = 0.0032258 k( 228) = ( 0.5564235 0.4435765 -0.0000000), wk = 0.0032258 k( 229) = ( 0.5501542 0.4498458 -0.0000000), wk = 0.0032258 k( 230) = ( 0.5438850 0.4561150 -0.0000000), wk = 0.0032258 k( 231) = ( 0.5376157 0.4623843 0.0000000), wk = 0.0032258 k( 232) = ( 0.5313464 0.4686536 0.0000000), wk = 0.0032258 k( 233) = ( 0.5250771 0.4749229 -0.0000000), wk = 0.0032258 k( 234) = ( 0.5188078 0.4811922 -0.0000000), wk = 0.0032258 k( 235) = ( 0.5125386 0.4874614 -0.0000000), wk = 0.0032258 k( 236) = ( 0.5062693 0.4937307 0.0000000), wk = 0.0032258 k( 237) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 238) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 239) = ( 0.5174147 0.5174147 0.0207262), wk = 0.0032258 k( 240) = ( 0.5348293 0.5348293 0.0414525), wk = 0.0032258 k( 241) = ( 0.5522440 0.5522440 0.0621787), wk = 0.0032258 k( 242) = ( 0.5696587 0.5696587 0.0829049), wk = 0.0032258 k( 243) = ( 0.5870733 0.5870733 0.1036311), wk = 0.0032258 k( 244) = ( 0.6044880 0.6044880 0.1243573), wk = 0.0032258 k( 245) = ( 0.6219027 0.6219027 0.1450836), wk = 0.0032258 k( 246) = ( 0.6393173 0.6393173 0.1658098), wk = 0.0032258 k( 247) = ( 0.6567320 0.6567320 0.1865360), wk = 0.0032258 k( 248) = ( 0.6567320 0.6567320 0.1865360), wk = 0.0032258 k( 249) = ( 0.6531699 0.6531699 0.1936602), wk = 0.0032258 k( 250) = ( 0.6496078 0.6496078 0.2007844), wk = 0.0032258 k( 251) = ( 0.6460457 0.6460457 0.2079086), wk = 0.0032258 k( 252) = ( 0.6424836 0.6424836 0.2150327), wk = 0.0032258 k( 253) = ( 0.6389215 0.6389215 0.2221569), wk = 0.0032258 k( 254) = ( 0.6353595 0.6353595 0.2292811), wk = 0.0032258 k( 255) = ( 0.6317974 0.6317974 0.2364053), wk = 0.0032258 k( 256) = ( 0.6282353 0.6282353 0.2435295), wk = 0.0032258 k( 257) = ( 0.6246732 0.6246732 0.2506536), wk = 0.0032258 k( 258) = ( 0.6211111 0.6211111 0.2577778), wk = 0.0032258 k( 259) = ( 0.6175490 0.6175490 0.2649020), wk = 0.0032258 k( 260) = ( 0.6139869 0.6139869 0.2720262), wk = 0.0032258 k( 261) = ( 0.6104248 0.6104248 0.2791504), wk = 0.0032258 k( 262) = ( 0.6068627 0.6068627 0.2862746), wk = 0.0032258 k( 263) = ( 0.6033006 0.6033006 0.2933987), wk = 0.0032258 k( 264) = ( 0.5997385 0.5997385 0.3005229), wk = 0.0032258 k( 265) = ( 0.5961764 0.5961764 0.3076471), wk = 0.0032258 k( 266) = ( 0.5926144 0.5926144 0.3147713), wk = 0.0032258 k( 267) = ( 0.5890523 0.5890523 0.3218955), wk = 0.0032258 k( 268) = ( 0.5854902 0.5854902 0.3290196), wk = 0.0032258 k( 269) = ( 0.5819281 0.5819281 0.3361438), wk = 0.0032258 k( 270) = ( 0.5783660 0.5783660 0.3432680), wk = 0.0032258 k( 271) = ( 0.5748039 0.5748039 0.3503922), wk = 0.0032258 k( 272) = ( 0.5712418 0.5712418 0.3575164), wk = 0.0032258 k( 273) = ( 0.5676797 0.5676797 0.3646405), wk = 0.0032258 k( 274) = ( 0.5641176 0.5641176 0.3717647), wk = 0.0032258 k( 275) = ( 0.5605555 0.5605555 0.3788889), wk = 0.0032258 k( 276) = ( 0.5569935 0.5569935 0.3860131), wk = 0.0032258 k( 277) = ( 0.5534314 0.5534314 0.3931373), wk = 0.0032258 k( 278) = ( 0.5498693 0.5498693 0.4002615), wk = 0.0032258 k( 279) = ( 0.5463072 0.5463072 0.4073856), wk = 0.0032258 k( 280) = ( 0.5427451 0.5427451 0.4145098), wk = 0.0032258 k( 281) = ( 0.5391830 0.5391830 0.4216340), wk = 0.0032258 k( 282) = ( 0.5356209 0.5356209 0.4287582), wk = 0.0032258 k( 283) = ( 0.5320588 0.5320588 0.4358824), wk = 0.0032258 k( 284) = ( 0.5284967 0.5284967 0.4430065), wk = 0.0032258 k( 285) = ( 0.5249346 0.5249346 0.4501307), wk = 0.0032258 k( 286) = ( 0.5213725 0.5213725 0.4572549), wk = 0.0032258 k( 287) = ( 0.5178105 0.5178105 0.4643791), wk = 0.0032258 k( 288) = ( 0.5142484 0.5142484 0.4715033), wk = 0.0032258 k( 289) = ( 0.5106863 0.5106863 0.4786275), wk = 0.0032258 k( 290) = ( 0.5071242 0.5071242 0.4857516), wk = 0.0032258 k( 291) = ( 0.5035621 0.5035621 0.4928758), wk = 0.0032258 k( 292) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 293) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032258 k( 294) = ( 0.5184391 0.0201922 0.0201922), wk = 0.0032258 k( 295) = ( 0.5368781 0.0403845 0.0403845), wk = 0.0032258 k( 296) = ( 0.5553172 0.0605767 0.0605767), wk = 0.0032258 k( 297) = ( 0.5737562 0.0807689 0.0807689), wk = 0.0032258 k( 298) = ( 0.5921953 0.1009612 0.1009612), wk = 0.0032258 k( 299) = ( 0.6106343 0.1211534 0.1211534), wk = 0.0032258 k( 300) = ( 0.6290734 0.1413456 0.1413457), wk = 0.0032258 k( 301) = ( 0.6475125 0.1615379 0.1615379), wk = 0.0032258 k( 302) = ( 0.6659515 0.1817301 0.1817301), wk = 0.0032258 k( 303) = ( 0.6843906 0.2019224 0.2019224), wk = 0.0032258 k( 304) = ( 0.7028296 0.2221146 0.2221146), wk = 0.0032258 k( 305) = ( 0.7212687 0.2423068 0.2423068), wk = 0.0032258 k( 306) = ( 0.7397078 0.2624991 0.2624991), wk = 0.0032258 k( 307) = ( 0.7581468 0.2826913 0.2826913), wk = 0.0032258 k( 308) = ( 0.7765859 0.3028835 0.3028835), wk = 0.0032258 k( 309) = ( 0.7950249 0.3230758 0.3230758), wk = 0.0032258 k( 310) = ( 0.8134640 0.3432680 0.3432680), wk = 0.0032258 Dense grid: 59891 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 45047 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 316, 40) NL pseudopotentials 0.28 Mb ( 158, 116) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1664) G-vector shells 0.01 Mb ( 1406) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 316, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.14 Mb ( 116, 2, 40) The potential is recalculated from file : ./NaYS2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.2 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.3 secs Computing kpt #: 14 total cpu time spent up to now is 9.8 secs Computing kpt #: 15 total cpu time spent up to now is 10.4 secs Computing kpt #: 16 total cpu time spent up to now is 10.9 secs Computing kpt #: 17 total cpu time spent up to now is 11.5 secs Computing kpt #: 18 total cpu time spent up to now is 12.0 secs Computing kpt #: 19 total cpu time spent up to now is 12.5 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.6 secs Computing kpt #: 22 total cpu time spent up to now is 14.2 secs Computing kpt #: 23 total cpu time spent up to now is 14.7 secs Computing kpt #: 24 total cpu time spent up to now is 15.2 secs Computing kpt #: 25 total cpu time spent up to now is 15.8 secs Computing kpt #: 26 total cpu time spent up to now is 16.3 secs Computing kpt #: 27 total cpu time spent up to now is 16.8 secs Computing kpt #: 28 total cpu time spent up to now is 17.3 secs Computing kpt #: 29 total cpu time spent up to now is 17.9 secs Computing kpt #: 30 total cpu time spent up to now is 18.4 secs Computing kpt #: 31 total cpu time spent up to now is 18.9 secs Computing kpt #: 32 total cpu time spent up to now is 19.4 secs Computing kpt #: 33 total cpu time spent up to now is 19.9 secs Computing kpt #: 34 total cpu time spent up to now is 20.5 secs Computing kpt #: 35 total cpu time spent up to now is 21.0 secs Computing kpt #: 36 total cpu time spent up to now is 21.5 secs Computing kpt #: 37 total cpu time spent up to now is 22.1 secs Computing kpt #: 38 total cpu time spent up to now is 22.7 secs Computing kpt #: 39 total cpu time spent up to now is 23.2 secs Computing kpt #: 40 total cpu time spent up to now is 23.8 secs Computing kpt #: 41 total cpu time spent up to now is 24.4 secs Computing kpt #: 42 total cpu time spent up to now is 25.0 secs Computing kpt #: 43 total cpu time spent up to now is 25.6 secs Computing kpt #: 44 total cpu time spent up to now is 26.3 secs Computing kpt #: 45 total cpu time spent up to now is 27.0 secs Computing kpt #: 46 total cpu time spent up to now is 27.7 secs Computing kpt #: 47 total cpu time spent up to now is 28.4 secs Computing kpt #: 48 total cpu time spent up to now is 29.1 secs Computing kpt #: 49 total cpu time spent up to now is 29.8 secs Computing kpt #: 50 total cpu time spent up to now is 30.5 secs Computing kpt #: 51 total cpu time spent up to now is 31.2 secs Computing kpt #: 52 total cpu time spent up to now is 31.8 secs Computing kpt #: 53 total cpu time spent up to now is 32.4 secs Computing kpt #: 54 total cpu time spent up to now is 32.9 secs Computing kpt #: 55 total cpu time spent up to now is 33.5 secs Computing kpt #: 56 total cpu time spent up to now is 34.1 secs Computing kpt #: 57 total cpu time spent up to now is 34.6 secs Computing kpt #: 58 total cpu time spent up to now is 35.2 secs Computing kpt #: 59 total cpu time spent up to now is 35.7 secs Computing kpt #: 60 total cpu time spent up to now is 36.3 secs Computing kpt #: 61 total cpu time spent up to now is 36.8 secs Computing kpt #: 62 total cpu time spent up to now is 37.3 secs Computing kpt #: 63 total cpu time spent up to now is 38.1 secs Computing kpt #: 64 total cpu time spent up to now is 38.6 secs Computing kpt #: 65 total cpu time spent up to now is 39.1 secs Computing kpt #: 66 total cpu time spent up to now is 39.6 secs Computing kpt #: 67 total cpu time spent up to now is 40.2 secs Computing kpt #: 68 total cpu time spent up to now is 40.7 secs Computing kpt #: 69 total cpu time spent up to now is 41.2 secs Computing kpt #: 70 total cpu time spent up to now is 41.7 secs Computing kpt #: 71 total cpu time spent up to now is 42.2 secs Computing kpt #: 72 total cpu time spent up to now is 42.7 secs Computing kpt #: 73 total cpu time spent up to now is 43.3 secs Computing kpt #: 74 total cpu time spent up to now is 43.8 secs Computing kpt #: 75 total cpu time spent up to now is 44.3 secs Computing kpt #: 76 total cpu time spent up to now is 44.9 secs Computing kpt #: 77 total cpu time spent up to now is 45.4 secs Computing kpt #: 78 total cpu time spent up to now is 45.9 secs Computing kpt #: 79 total cpu time spent up to now is 46.5 secs Computing kpt #: 80 total cpu time spent up to now is 47.0 secs Computing kpt #: 81 total cpu time spent up to now is 47.6 secs Computing kpt #: 82 total cpu time spent up to now is 48.1 secs Computing kpt #: 83 total cpu time spent up to now is 48.8 secs Computing kpt #: 84 total cpu time spent up to now is 49.5 secs Computing kpt #: 85 total cpu time spent up to now is 50.0 secs Computing kpt #: 86 total cpu time spent up to now is 50.6 secs Computing kpt #: 87 total cpu time spent up to now is 51.2 secs Computing kpt #: 88 total cpu time spent up to now is 51.7 secs Computing kpt #: 89 total cpu time spent up to now is 52.3 secs Computing kpt #: 90 total cpu time spent up to now is 52.9 secs Computing kpt #: 91 total cpu time spent up to now is 53.6 secs Computing kpt #: 92 total cpu time spent up to now is 54.3 secs Computing kpt #: 93 total cpu time spent up to now is 54.9 secs Computing kpt #: 94 total cpu time spent up to now is 55.6 secs Computing kpt #: 95 total cpu time spent up to now is 56.2 secs Computing kpt #: 96 total cpu time spent up to now is 56.8 secs Computing kpt #: 97 total cpu time spent up to now is 57.4 secs Computing kpt #: 98 total cpu time spent up to now is 58.0 secs Computing kpt #: 99 total cpu time spent up to now is 58.5 secs Computing kpt #: 100 total cpu time spent up to now is 59.1 secs Computing kpt #: 101 total cpu time spent up to now is 59.6 secs Computing kpt #: 102 total cpu time spent up to now is 60.2 secs Computing kpt #: 103 total cpu time spent up to now is 60.7 secs Computing kpt #: 104 total cpu time spent up to now is 61.3 secs Computing kpt #: 105 total cpu time spent up to now is 61.8 secs Computing kpt #: 106 total cpu time spent up to now is 62.3 secs Computing kpt #: 107 total cpu time spent up to now is 62.8 secs Computing kpt #: 108 total cpu time spent up to now is 63.3 secs Computing kpt #: 109 total cpu time spent up to now is 63.8 secs Computing kpt #: 110 total cpu time spent up to now is 64.3 secs Computing kpt #: 111 total cpu time spent up to now is 64.8 secs Computing kpt #: 112 total cpu time spent up to now is 65.3 secs Computing kpt #: 113 total cpu time spent up to now is 65.8 secs Computing kpt #: 114 total cpu time spent up to now is 66.3 secs Computing kpt #: 115 total cpu time spent up to now is 66.8 secs Computing kpt #: 116 total cpu time spent up to now is 67.3 secs Computing kpt #: 117 total cpu time spent up to now is 67.8 secs Computing kpt #: 118 total cpu time spent up to now is 68.3 secs Computing kpt #: 119 total cpu time spent up to now is 68.8 secs Computing kpt #: 120 total cpu time spent up to now is 69.3 secs Computing kpt #: 121 total cpu time spent up to now is 69.8 secs Computing kpt #: 122 total cpu time spent up to now is 70.3 secs Computing kpt #: 123 total cpu time spent up to now is 70.8 secs Computing kpt #: 124 total cpu time spent up to now is 71.4 secs Computing kpt #: 125 total cpu time spent up to now is 71.9 secs Computing kpt #: 126 total cpu time spent up to now is 72.9 secs Computing kpt #: 127 total cpu time spent up to now is 73.4 secs Computing kpt #: 128 total cpu time spent up to now is 74.0 secs Computing kpt #: 129 total cpu time spent up to now is 74.5 secs Computing kpt #: 130 total cpu time spent up to now is 75.0 secs Computing kpt #: 131 total cpu time spent up to now is 75.5 secs Computing kpt #: 132 total cpu time spent up to now is 76.0 secs Computing kpt #: 133 total cpu time spent up to now is 76.6 secs Computing kpt #: 134 total cpu time spent up to now is 77.1 secs Computing kpt #: 135 total cpu time spent up to now is 77.7 secs Computing kpt #: 136 total cpu time spent up to now is 78.2 secs Computing kpt #: 137 total cpu time spent up to now is 78.8 secs Computing kpt #: 138 total cpu time spent up to now is 79.3 secs Computing kpt #: 139 total cpu time spent up to now is 79.8 secs Computing kpt #: 140 total cpu time spent up to now is 80.3 secs Computing kpt #: 141 total cpu time spent up to now is 80.8 secs Computing kpt #: 142 total cpu time spent up to now is 81.4 secs Computing kpt #: 143 total cpu time spent up to now is 81.9 secs Computing kpt #: 144 total cpu time spent up to now is 82.4 secs Computing kpt #: 145 total cpu time spent up to now is 82.9 secs Computing kpt #: 146 total cpu time spent up to now is 83.4 secs Computing kpt #: 147 total cpu time spent up to now is 84.0 secs Computing kpt #: 148 total cpu time spent up to now is 84.5 secs Computing kpt #: 149 total cpu time spent up to now is 85.0 secs Computing kpt #: 150 total cpu time spent up to now is 85.4 secs Computing kpt #: 151 total cpu time spent up to now is 85.9 secs Computing kpt #: 152 total cpu time spent up to now is 86.4 secs Computing kpt #: 153 total cpu time spent up to now is 86.9 secs Computing kpt #: 154 total cpu time spent up to now is 87.4 secs Computing kpt #: 155 total cpu time spent up to now is 87.8 secs Computing kpt #: 156 total cpu time spent up to now is 88.3 secs Computing kpt #: 157 total cpu time spent up to now is 88.8 secs Computing kpt #: 158 total cpu time spent up to now is 89.2 secs Computing kpt #: 159 total cpu time spent up to now is 89.7 secs Computing kpt #: 160 total cpu time spent up to now is 90.2 secs Computing kpt #: 161 total cpu time spent up to now is 90.7 secs Computing kpt #: 162 total cpu time spent up to now is 91.2 secs Computing kpt #: 163 total cpu time spent up to now is 91.6 secs Computing kpt #: 164 total cpu time spent up to now is 92.1 secs Computing kpt #: 165 total cpu time spent up to now is 92.6 secs Computing kpt #: 166 total cpu time spent up to now is 93.1 secs Computing kpt #: 167 total cpu time spent up to now is 93.7 secs Computing kpt #: 168 total cpu time spent up to now is 94.2 secs Computing kpt #: 169 total cpu time spent up to now is 94.7 secs Computing kpt #: 170 total cpu time spent up to now is 95.2 secs Computing kpt #: 171 total cpu time spent up to now is 95.7 secs Computing kpt #: 172 total cpu time spent up to now is 96.3 secs Computing kpt #: 173 total cpu time spent up to now is 96.8 secs Computing kpt #: 174 total cpu time spent up to now is 97.3 secs Computing kpt #: 175 total cpu time spent up to now is 97.9 secs Computing kpt #: 176 total cpu time spent up to now is 98.4 secs Computing kpt #: 177 total cpu time spent up to now is 99.0 secs Computing kpt #: 178 total cpu time spent up to now is 99.5 secs Computing kpt #: 179 total cpu time spent up to now is 100.0 secs Computing kpt #: 180 total cpu time spent up to now is 100.5 secs Computing kpt #: 181 total cpu time spent up to now is 101.1 secs Computing kpt #: 182 total cpu time spent up to now is 101.6 secs Computing kpt #: 183 total cpu time spent up to now is 102.1 secs Computing kpt #: 184 total cpu time spent up to now is 102.6 secs Computing kpt #: 185 total cpu time spent up to now is 103.1 secs Computing kpt #: 186 total cpu time spent up to now is 103.7 secs Computing kpt #: 187 total cpu time spent up to now is 104.2 secs Computing kpt #: 188 total cpu time spent up to now is 104.7 secs Computing kpt #: 189 total cpu time spent up to now is 105.2 secs Computing kpt #: 190 total cpu time spent up to now is 105.7 secs Computing kpt #: 191 total cpu time spent up to now is 106.2 secs Computing kpt #: 192 total cpu time spent up to now is 106.7 secs Computing kpt #: 193 total cpu time spent up to now is 107.2 secs Computing kpt #: 194 total cpu time spent up to now is 108.0 secs Computing kpt #: 195 total cpu time spent up to now is 108.5 secs Computing kpt #: 196 total cpu time spent up to now is 109.0 secs Computing kpt #: 197 total cpu time spent up to now is 109.5 secs Computing kpt #: 198 total cpu time spent up to now is 110.0 secs Computing kpt #: 199 total cpu time spent up to now is 110.5 secs Computing kpt #: 200 total cpu time spent up to now is 111.0 secs Computing kpt #: 201 total cpu time spent up to now is 111.5 secs Computing kpt #: 202 total cpu time spent up to now is 112.0 secs Computing kpt #: 203 total cpu time spent up to now is 112.6 secs Computing kpt #: 204 total cpu time spent up to now is 113.1 secs Computing kpt #: 205 total cpu time spent up to now is 113.6 secs Computing kpt #: 206 total cpu time spent up to now is 114.1 secs Computing kpt #: 207 total cpu time spent up to now is 114.6 secs Computing kpt #: 208 total cpu time spent up to now is 115.2 secs Computing kpt #: 209 total cpu time spent up to now is 115.7 secs Computing kpt #: 210 total cpu time spent up to now is 116.4 secs Computing kpt #: 211 total cpu time spent up to now is 117.2 secs Computing kpt #: 212 total cpu time spent up to now is 117.9 secs Computing kpt #: 213 total cpu time spent up to now is 118.5 secs Computing kpt #: 214 total cpu time spent up to now is 119.1 secs Computing kpt #: 215 total cpu time spent up to now is 119.6 secs Computing kpt #: 216 total cpu time spent up to now is 120.3 secs Computing kpt #: 217 total cpu time spent up to now is 121.0 secs Computing kpt #: 218 total cpu time spent up to now is 121.5 secs Computing kpt #: 219 total cpu time spent up to now is 122.1 secs Computing kpt #: 220 total cpu time spent up to now is 122.7 secs Computing kpt #: 221 total cpu time spent up to now is 123.2 secs Computing kpt #: 222 total cpu time spent up to now is 123.8 secs Computing kpt #: 223 total cpu time spent up to now is 124.3 secs Computing kpt #: 224 total cpu time spent up to now is 124.9 secs Computing kpt #: 225 total cpu time spent up to now is 125.5 secs Computing kpt #: 226 total cpu time spent up to now is 126.1 secs Computing kpt #: 227 total cpu time spent up to now is 126.7 secs Computing kpt #: 228 total cpu time spent up to now is 127.3 secs Computing kpt #: 229 total cpu time spent up to now is 127.9 secs Computing kpt #: 230 total cpu time spent up to now is 128.4 secs Computing kpt #: 231 total cpu time spent up to now is 129.0 secs Computing kpt #: 232 total cpu time spent up to now is 129.6 secs Computing kpt #: 233 total cpu time spent up to now is 130.2 secs Computing kpt #: 234 total cpu time spent up to now is 130.8 secs Computing kpt #: 235 total cpu time spent up to now is 131.4 secs Computing kpt #: 236 total cpu time spent up to now is 131.9 secs Computing kpt #: 237 total cpu time spent up to now is 132.5 secs Computing kpt #: 238 total cpu time spent up to now is 133.1 secs Computing kpt #: 239 total cpu time spent up to now is 133.6 secs Computing kpt #: 240 total cpu time spent up to now is 134.2 secs Computing kpt #: 241 total cpu time spent up to now is 134.8 secs Computing kpt #: 242 total cpu time spent up to now is 135.4 secs Computing kpt #: 243 total cpu time spent up to now is 135.9 secs Computing kpt #: 244 total cpu time spent up to now is 136.5 secs Computing kpt #: 245 total cpu time spent up to now is 137.1 secs Computing kpt #: 246 total cpu time spent up to now is 137.6 secs Computing kpt #: 247 total cpu time spent up to now is 138.2 secs Computing kpt #: 248 total cpu time spent up to now is 138.8 secs Computing kpt #: 249 total cpu time spent up to now is 139.3 secs Computing kpt #: 250 total cpu time spent up to now is 139.9 secs Computing kpt #: 251 total cpu time spent up to now is 140.4 secs Computing kpt #: 252 total cpu time spent up to now is 141.0 secs Computing kpt #: 253 total cpu time spent up to now is 141.5 secs Computing kpt #: 254 total cpu time spent up to now is 142.1 secs Computing kpt #: 255 total cpu time spent up to now is 142.9 secs Computing kpt #: 256 total cpu time spent up to now is 143.5 secs Computing kpt #: 257 total cpu time spent up to now is 144.0 secs Computing kpt #: 258 total cpu time spent up to now is 144.5 secs Computing kpt #: 259 total cpu time spent up to now is 145.1 secs Computing kpt #: 260 total cpu time spent up to now is 145.6 secs Computing kpt #: 261 total cpu time spent up to now is 146.1 secs Computing kpt #: 262 total cpu time spent up to now is 146.6 secs Computing kpt #: 263 total cpu time spent up to now is 147.2 secs Computing kpt #: 264 total cpu time spent up to now is 147.7 secs Computing kpt #: 265 total cpu time spent up to now is 148.2 secs Computing kpt #: 266 total cpu time spent up to now is 148.7 secs Computing kpt #: 267 total cpu time spent up to now is 149.2 secs Computing kpt #: 268 total cpu time spent up to now is 149.7 secs Computing kpt #: 269 total cpu time spent up to now is 150.2 secs Computing kpt #: 270 total cpu time spent up to now is 150.7 secs Computing kpt #: 271 total cpu time spent up to now is 151.2 secs Computing kpt #: 272 total cpu time spent up to now is 151.7 secs Computing kpt #: 273 total cpu time spent up to now is 152.2 secs Computing kpt #: 274 total cpu time spent up to now is 152.7 secs Computing kpt #: 275 total cpu time spent up to now is 153.2 secs Computing kpt #: 276 total cpu time spent up to now is 153.7 secs Computing kpt #: 277 total cpu time spent up to now is 154.2 secs Computing kpt #: 278 total cpu time spent up to now is 154.7 secs Computing kpt #: 279 total cpu time spent up to now is 155.1 secs Computing kpt #: 280 total cpu time spent up to now is 155.6 secs Computing kpt #: 281 total cpu time spent up to now is 156.1 secs Computing kpt #: 282 total cpu time spent up to now is 156.6 secs Computing kpt #: 283 total cpu time spent up to now is 157.2 secs Computing kpt #: 284 total cpu time spent up to now is 157.7 secs Computing kpt #: 285 total cpu time spent up to now is 158.2 secs Computing kpt #: 286 total cpu time spent up to now is 158.7 secs Computing kpt #: 287 total cpu time spent up to now is 159.3 secs Computing kpt #: 288 total cpu time spent up to now is 159.8 secs Computing kpt #: 289 total cpu time spent up to now is 160.3 secs Computing kpt #: 290 total cpu time spent up to now is 160.8 secs Computing kpt #: 291 total cpu time spent up to now is 161.4 secs Computing kpt #: 292 total cpu time spent up to now is 161.9 secs Computing kpt #: 293 total cpu time spent up to now is 162.6 secs Computing kpt #: 294 total cpu time spent up to now is 163.3 secs Computing kpt #: 295 total cpu time spent up to now is 164.0 secs Computing kpt #: 296 total cpu time spent up to now is 164.6 secs Computing kpt #: 297 total cpu time spent up to now is 165.3 secs Computing kpt #: 298 total cpu time spent up to now is 166.0 secs Computing kpt #: 299 total cpu time spent up to now is 166.7 secs Computing kpt #: 300 total cpu time spent up to now is 167.4 secs Computing kpt #: 301 total cpu time spent up to now is 168.1 secs Computing kpt #: 302 total cpu time spent up to now is 168.7 secs Computing kpt #: 303 total cpu time spent up to now is 169.4 secs Computing kpt #: 304 total cpu time spent up to now is 170.0 secs Computing kpt #: 305 total cpu time spent up to now is 170.6 secs Computing kpt #: 306 total cpu time spent up to now is 171.2 secs Computing kpt #: 307 total cpu time spent up to now is 171.8 secs Computing kpt #: 308 total cpu time spent up to now is 172.4 secs Computing kpt #: 309 total cpu time spent up to now is 172.9 secs Computing kpt #: 310 total cpu time spent up to now is 173.5 secs ethr = 3.13E-08, avg # of iterations = 16.8 total cpu time spent up to now is 173.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5583 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7590 -16.7590 -16.6391 -16.6391 -16.5761 -16.5761 -16.5757 -16.5757 -15.2504 -15.2504 -15.1358 -15.1358 -5.8580 -5.8580 -4.9202 -4.9202 2.3792 2.3792 4.0521 4.0521 4.0853 4.0853 5.5027 5.5027 5.6453 5.6453 5.7023 5.7023 9.1735 9.1735 9.1767 9.1767 9.6162 9.6162 9.8369 9.8369 k = 0.0106-0.0165-0.0101 ( 5583 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7590 -16.7590 -16.6392 -16.6392 -16.5761 -16.5761 -16.5757 -16.5757 -15.2504 -15.2504 -15.1360 -15.1360 -5.8571 -5.8571 -4.9204 -4.9204 2.3805 2.3805 4.0513 4.0513 4.0845 4.0845 5.5029 5.5029 5.6422 5.6422 5.6987 5.6987 9.1740 9.1740 9.1783 9.1783 9.6169 9.6169 9.8422 9.8422 k = 0.0213-0.0330-0.0201 ( 5590 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7590 -16.7590 -16.6393 -16.6393 -16.5761 -16.5761 -16.5758 -16.5758 -15.2505 -15.2505 -15.1366 -15.1366 -5.8545 -5.8545 -4.9210 -4.9210 2.3846 2.3846 4.0483 4.0483 4.0825 4.0825 5.5034 5.5034 5.6323 5.6323 5.6887 5.6887 9.1731 9.1731 9.1855 9.1855 9.6189 9.6189 9.8583 9.8583 k = 0.0319-0.0495-0.0302 ( 5597 PWs) bands (ev): -44.7125 -44.7125 -35.6660 -35.6660 -16.7591 -16.7591 -16.6396 -16.6396 -16.5762 -16.5762 -16.5759 -16.5759 -15.2506 -15.2506 -15.1375 -15.1375 -5.8501 -5.8501 -4.9221 -4.9221 2.3914 2.3914 4.0420 4.0420 4.0808 4.0808 5.5031 5.5031 5.6145 5.6145 5.6748 5.6748 9.1707 9.1707 9.1979 9.1979 9.6223 9.6223 9.8848 9.8848 k = 0.0426-0.0659-0.0403 ( 5605 PWs) bands (ev): -44.7125 -44.7125 -35.6659 -35.6659 -16.7591 -16.7591 -16.6400 -16.6400 -16.5764 -16.5764 -16.5760 -16.5760 -15.2508 -15.2508 -15.1387 -15.1387 -5.8440 -5.8440 -4.9235 -4.9235 2.4009 2.4009 4.0315 4.0315 4.0803 4.0803 5.4990 5.4990 5.5898 5.5898 5.6596 5.6596 9.1666 9.1666 9.2153 9.2153 9.6272 9.6272 9.9214 9.9214 k = 0.0532-0.0824-0.0503 ( 5605 PWs) bands (ev): -44.7125 -44.7125 -35.6658 -35.6658 -16.7591 -16.7591 -16.6405 -16.6405 -16.5765 -16.5765 -16.5760 -16.5760 -15.2510 -15.2510 -15.1403 -15.1403 -5.8362 -5.8362 -4.9253 -4.9253 2.4130 2.4130 4.0169 4.0169 4.0814 4.0814 5.4830 5.4830 5.5656 5.5656 5.6441 5.6441 9.1606 9.1606 9.2374 9.2374 9.6338 9.6338 9.9675 9.9675 k = 0.0638-0.0989-0.0604 ( 5605 PWs) bands (ev): -44.7125 -44.7125 -35.6656 -35.6656 -16.7592 -16.7592 -16.6411 -16.6411 -16.5766 -16.5766 -16.5761 -16.5761 -15.2513 -15.2513 -15.1422 -15.1422 -5.8267 -5.8267 -4.9275 -4.9275 2.4278 2.4278 3.9986 3.9986 4.0838 4.0838 5.4457 5.4457 5.5520 5.5520 5.6283 5.6283 9.1525 9.1525 9.2639 9.2639 9.6422 9.6422 10.0220 10.0220 k = 0.0745-0.1154-0.0705 ( 5608 PWs) bands (ev): -44.7125 -44.7125 -35.6654 -35.6654 -16.7592 -16.7592 -16.6418 -16.6418 -16.5768 -16.5768 -16.5763 -16.5763 -15.2516 -15.2516 -15.1445 -15.1445 -5.8156 -5.8156 -4.9301 -4.9301 2.4450 2.4450 3.9775 3.9775 4.0873 4.0873 5.3902 5.3902 5.5460 5.5460 5.6127 5.6127 9.1421 9.1421 9.2947 9.2947 9.6524 9.6524 10.0839 10.0839 k = 0.0851-0.1319-0.0805 ( 5603 PWs) bands (ev): -44.7125 -44.7125 -35.6652 -35.6652 -16.7593 -16.7593 -16.6426 -16.6426 -16.5770 -16.5770 -16.5764 -16.5764 -15.2520 -15.2520 -15.1470 -15.1470 -5.8028 -5.8028 -4.9330 -4.9330 2.4648 2.4648 3.9541 3.9541 4.0915 4.0915 5.3231 5.3231 5.5401 5.5401 5.5989 5.5989 9.1294 9.1294 9.3293 9.3293 9.6643 9.6643 10.1514 10.1514 k = 0.0957-0.1484-0.0906 ( 5612 PWs) bands (ev): -44.7125 -44.7125 -35.6649 -35.6649 -16.7594 -16.7594 -16.6436 -16.6436 -16.5773 -16.5773 -16.5765 -16.5765 -15.2524 -15.2524 -15.1498 -15.1498 -5.7886 -5.7886 -4.9362 -4.9362 2.4869 2.4869 3.9288 3.9288 4.0963 4.0963 5.2482 5.2482 5.5295 5.5295 5.5888 5.5888 9.1145 9.1145 9.3676 9.3676 9.6781 9.6781 10.2225 10.2225 k = 0.1064-0.1648-0.1007 ( 5616 PWs) bands (ev): -44.7124 -44.7124 -35.6646 -35.6646 -16.7594 -16.7594 -16.6446 -16.6446 -16.5776 -16.5776 -16.5767 -16.5767 -15.2530 -15.2530 -15.1528 -15.1528 -5.7729 -5.7729 -4.9396 -4.9396 2.5113 2.5113 3.9023 3.9023 4.1016 4.1016 5.1672 5.1672 5.5129 5.5129 5.5825 5.5825 9.0975 9.0975 9.4092 9.4092 9.6936 9.6936 10.2946 10.2946 k = 0.1170-0.1813-0.1108 ( 5614 PWs) bands (ev): -44.7124 -44.7124 -35.6643 -35.6643 -16.7595 -16.7595 -16.6457 -16.6457 -16.5779 -16.5779 -16.5768 -16.5768 -15.2536 -15.2536 -15.1560 -15.1560 -5.7558 -5.7558 -4.9434 -4.9434 2.5379 2.5379 3.8749 3.8749 4.1074 4.1074 5.0814 5.0814 5.4917 5.4917 5.5781 5.5781 9.0788 9.0788 9.4536 9.4536 9.7109 9.7109 10.3644 10.3644 k = 0.1277-0.1978-0.1208 ( 5614 PWs) bands (ev): -44.7124 -44.7124 -35.6640 -35.6640 -16.7596 -16.7596 -16.6470 -16.6470 -16.5782 -16.5782 -16.5770 -16.5770 -15.2543 -15.2543 -15.1594 -15.1594 -5.7373 -5.7373 -4.9473 -4.9473 2.5666 2.5666 3.8470 3.8470 4.1135 4.1135 4.9919 4.9919 5.4676 5.4676 5.5734 5.5734 9.0584 9.0584 9.5007 9.5007 9.7300 9.7300 10.4283 10.4283 k = 0.1383-0.2143-0.1309 ( 5618 PWs) bands (ev): -44.7124 -44.7124 -35.6637 -35.6637 -16.7597 -16.7597 -16.6483 -16.6483 -16.5786 -16.5786 -16.5771 -16.5771 -15.2552 -15.2552 -15.1630 -15.1630 -5.7176 -5.7176 -4.9515 -4.9515 2.5971 2.5971 3.8191 3.8191 4.1198 4.1198 4.8996 4.8996 5.4418 5.4418 5.5670 5.5670 9.0366 9.0366 9.5500 9.5500 9.7508 9.7508 10.4836 10.4836 k = 0.1489-0.2308-0.1410 ( 5609 PWs) bands (ev): -44.7124 -44.7124 -35.6633 -35.6633 -16.7598 -16.7598 -16.6498 -16.6498 -16.5789 -16.5789 -16.5773 -16.5773 -15.2562 -15.2562 -15.1666 -15.1666 -5.6968 -5.6968 -4.9558 -4.9558 2.6294 2.6294 3.7916 3.7916 4.1263 4.1263 4.8051 4.8051 5.4148 5.4148 5.5583 5.5583 9.0136 9.0136 9.6012 9.6012 9.7736 9.7736 10.5292 10.5292 k = 0.1596-0.2473-0.1510 ( 5611 PWs) bands (ev): -44.7124 -44.7124 -35.6629 -35.6629 -16.7599 -16.7599 -16.6513 -16.6513 -16.5793 -16.5793 -16.5774 -16.5774 -15.2573 -15.2573 -15.1703 -15.1703 -5.6749 -5.6749 -4.9602 -4.9602 2.6632 2.6632 3.7647 3.7647 4.1329 4.1329 4.7092 4.7092 5.3873 5.3873 5.5468 5.5468 8.9895 8.9895 9.6539 9.6539 9.7986 9.7986 10.5668 10.5668 k = 0.1702-0.2638-0.1611 ( 5610 PWs) bands (ev): -44.7124 -44.7124 -35.6625 -35.6625 -16.7600 -16.7600 -16.6529 -16.6529 -16.5797 -16.5797 -16.5776 -16.5776 -15.2586 -15.2586 -15.1740 -15.1740 -5.6521 -5.6521 -4.9646 -4.9646 2.6983 2.6983 3.7388 3.7388 4.1394 4.1394 4.6123 4.6123 5.3594 5.3594 5.5321 5.5321 8.9646 8.9646 9.7077 9.7077 9.8261 9.8261 10.5989 10.5989 k = 0.1809-0.2802-0.1712 ( 5610 PWs) bands (ev): -44.7123 -44.7123 -35.6621 -35.6621 -16.7601 -16.7601 -16.6546 -16.6546 -16.5801 -16.5801 -16.5777 -16.5777 -15.2600 -15.2600 -15.1777 -15.1777 -5.6285 -5.6285 -4.9690 -4.9690 2.7344 2.7344 3.7144 3.7144 4.1458 4.1458 4.5152 4.5152 5.3315 5.3315 5.5142 5.5142 8.9389 8.9389 9.7621 9.7621 9.8564 9.8564 10.6281 10.6281 k = 0.1915-0.2967-0.1812 ( 5619 PWs) bands (ev): -44.7123 -44.7123 -35.6617 -35.6617 -16.7602 -16.7602 -16.6564 -16.6564 -16.5805 -16.5805 -16.5779 -16.5779 -15.2617 -15.2617 -15.1813 -15.1813 -5.6041 -5.6041 -4.9733 -4.9733 2.7714 2.7714 3.6916 3.6916 4.1520 4.1520 4.4182 4.4182 5.3038 5.3038 5.4928 5.4928 8.9126 8.9126 9.8166 9.8166 9.8901 9.8901 10.6562 10.6562 k = 0.2021-0.3132-0.1913 ( 5626 PWs) bands (ev): -44.7123 -44.7123 -35.6612 -35.6612 -16.7603 -16.7603 -16.6583 -16.6583 -16.5810 -16.5810 -16.5780 -16.5780 -15.2636 -15.2636 -15.1848 -15.1848 -5.5792 -5.5792 -4.9776 -4.9776 2.8087 2.8087 3.6708 3.6708 4.1578 4.1578 4.3219 4.3219 5.2765 5.2765 5.4680 5.4680 8.8859 8.8859 9.8705 9.8705 9.9278 9.9278 10.6841 10.6841 k = 0.2128-0.3297-0.2014 ( 5627 PWs) bands (ev): -44.7123 -44.7123 -35.6608 -35.6608 -16.7605 -16.7605 -16.6602 -16.6602 -16.5814 -16.5814 -16.5782 -16.5782 -15.2657 -15.2657 -15.1881 -15.1881 -5.5539 -5.5539 -4.9816 -4.9816 2.8460 2.8460 3.6524 3.6524 4.1631 4.1631 4.2269 4.2269 5.2498 5.2498 5.4399 5.4399 8.8589 8.8589 9.9230 9.9230 9.9703 9.9703 10.7125 10.7125 k = 0.2234-0.3462-0.2114 ( 5619 PWs) bands (ev): -44.7123 -44.7123 -35.6603 -35.6603 -16.7606 -16.7606 -16.6622 -16.6622 -16.5818 -16.5818 -16.5783 -16.5783 -15.2681 -15.2681 -15.1912 -15.1912 -5.5283 -5.5283 -4.9853 -4.9853 2.8828 2.8828 3.6367 3.6367 4.1320 4.1320 4.1693 4.1693 5.2239 5.2239 5.4087 5.4087 8.8318 8.8318 9.9738 9.9738 10.0178 10.0178 10.7415 10.7415 k = 0.2340-0.3627-0.2215 ( 5615 PWs) bands (ev): -44.7122 -44.7122 -35.6598 -35.6598 -16.7607 -16.7607 -16.6642 -16.6642 -16.5823 -16.5823 -16.5784 -16.5784 -15.2707 -15.2707 -15.1941 -15.1941 -5.5027 -5.5027 -4.9887 -4.9887 2.9187 2.9187 3.6240 3.6240 4.0408 4.0408 4.1732 4.1732 5.1989 5.1989 5.3744 5.3744 8.8048 8.8048 10.0239 10.0239 10.0691 10.0691 10.7712 10.7712 k = 0.2447-0.3791-0.2316 ( 5611 PWs) bands (ev): -44.7122 -44.7122 -35.6594 -35.6594 -16.7608 -16.7608 -16.6662 -16.6662 -16.5827 -16.5827 -16.5785 -16.5785 -15.2735 -15.2735 -15.1968 -15.1968 -5.4772 -5.4772 -4.9916 -4.9916 2.9528 2.9528 3.6147 3.6147 3.9517 3.9517 4.1770 4.1770 5.1748 5.1748 5.3375 5.3375 8.7780 8.7780 10.0746 10.0746 10.1226 10.1226 10.8014 10.8014 k = 0.2553-0.3956-0.2416 ( 5607 PWs) bands (ev): -44.7122 -44.7122 -35.6589 -35.6589 -16.7609 -16.7609 -16.6683 -16.6683 -16.5831 -16.5831 -16.5786 -16.5786 -15.2766 -15.2766 -15.1992 -15.1992 -5.4519 -5.4519 -4.9940 -4.9940 2.9845 2.9845 3.6090 3.6090 3.8657 3.8657 4.1802 4.1802 5.1518 5.1518 5.2983 5.2983 8.7515 8.7515 10.1271 10.1271 10.1772 10.1772 10.8320 10.8320 k = 0.2660-0.4121-0.2517 ( 5614 PWs) bands (ev): -44.7122 -44.7122 -35.6584 -35.6584 -16.7611 -16.7611 -16.6704 -16.6704 -16.5836 -16.5836 -16.5787 -16.5787 -15.2798 -15.2798 -15.2014 -15.2014 -5.4273 -5.4273 -4.9956 -4.9956 3.0129 3.0129 3.6068 3.6068 3.7838 3.7838 4.1826 4.1826 5.1296 5.1296 5.2573 5.2573 8.7255 8.7255 10.1817 10.1817 10.2320 10.2320 10.8628 10.8628 k = 0.2766-0.4286-0.2618 ( 5622 PWs) bands (ev): -44.7122 -44.7122 -35.6580 -35.6580 -16.7612 -16.7612 -16.6726 -16.6726 -16.5840 -16.5840 -16.5788 -16.5788 -15.2833 -15.2833 -15.2033 -15.2033 -5.4033 -5.4033 -4.9964 -4.9964 3.0371 3.0371 3.6070 3.6070 3.7083 3.7083 4.1843 4.1843 5.1080 5.1080 5.2152 5.2152 8.7002 8.7002 10.2382 10.2382 10.2869 10.2869 10.8938 10.8938 k = 0.2872-0.4451-0.2719 ( 5624 PWs) bands (ev): -44.7122 -44.7122 -35.6575 -35.6575 -16.7614 -16.7614 -16.6747 -16.6747 -16.5845 -16.5845 -16.5789 -16.5789 -15.2868 -15.2868 -15.2050 -15.2050 -5.3804 -5.3804 -4.9963 -4.9963 3.0560 3.0560 3.5985 3.5985 3.6512 3.6512 4.1852 4.1852 5.0861 5.0861 5.1732 5.1732 8.6756 8.6756 10.2963 10.2963 10.3418 10.3418 10.9250 10.9250 k = 0.2979-0.4616-0.2819 ( 5624 PWs) bands (ev): -44.7121 -44.7121 -35.6570 -35.6570 -16.7615 -16.7615 -16.6768 -16.6768 -16.5849 -16.5849 -16.5790 -16.5790 -15.2905 -15.2905 -15.2064 -15.2064 -5.3587 -5.3587 -4.9950 -4.9950 3.0682 3.0682 3.5522 3.5522 3.6429 3.6429 4.1854 4.1854 5.0622 5.0622 5.1335 5.1335 8.6518 8.6518 10.3550 10.3550 10.3968 10.3968 10.9567 10.9567 k = 0.3085-0.4781-0.2920 ( 5626 PWs) bands (ev): -44.7121 -44.7121 -35.6566 -35.6566 -16.7616 -16.7616 -16.6789 -16.6789 -16.5853 -16.5853 -16.5790 -16.5790 -15.2942 -15.2942 -15.2077 -15.2077 -5.3386 -5.3386 -4.9926 -4.9926 3.0724 3.0724 3.4976 3.4976 3.6553 3.6553 4.1848 4.1848 5.0329 5.0329 5.1001 5.1001 8.6290 8.6290 10.4131 10.4131 10.4526 10.4526 10.9892 10.9892 k = 0.3191-0.4945-0.3021 ( 5623 PWs) bands (ev): -44.7121 -44.7121 -35.6562 -35.6562 -16.7618 -16.7618 -16.6809 -16.6809 -16.5857 -16.5857 -16.5791 -16.5791 -15.2980 -15.2980 -15.2087 -15.2087 -5.3201 -5.3201 -4.9888 -4.9888 3.0668 3.0668 3.4510 3.4510 3.6734 3.6734 4.1835 4.1835 4.9960 4.9960 5.0753 5.0753 8.6072 8.6072 10.4690 10.4690 10.5095 10.5095 11.0230 11.0230 k = 0.3298-0.5110-0.3121 ( 5616 PWs) bands (ev): -44.7121 -44.7121 -35.6557 -35.6557 -16.7619 -16.7619 -16.6829 -16.6829 -16.5860 -16.5860 -16.5791 -16.5791 -15.3017 -15.3017 -15.2096 -15.2096 -5.3034 -5.3034 -4.9836 -4.9836 3.0506 3.0506 3.4158 3.4158 3.6948 3.6948 4.1816 4.1816 4.9539 4.9539 5.0573 5.0573 8.5864 8.5864 10.5220 10.5220 10.5671 10.5671 11.0590 11.0590 k = 0.3404-0.5275-0.3222 ( 5624 PWs) bands (ev): -44.7121 -44.7121 -35.6553 -35.6553 -16.7620 -16.7620 -16.6849 -16.6849 -16.5864 -16.5864 -16.5792 -16.5792 -15.3054 -15.3054 -15.2104 -15.2104 -5.2888 -5.2888 -4.9770 -4.9770 3.0242 3.0242 3.3925 3.3925 3.7179 3.7179 4.1791 4.1791 4.9096 4.9096 5.0435 5.0435 8.5668 8.5668 10.5719 10.5719 10.6241 10.6241 11.0983 11.0983 k = 0.3511-0.5440-0.3323 ( 5627 PWs) bands (ev): -44.7121 -44.7121 -35.6549 -35.6549 -16.7621 -16.7621 -16.6868 -16.6868 -16.5868 -16.5868 -16.5792 -16.5792 -15.3089 -15.3089 -15.2111 -15.2111 -5.2762 -5.2762 -4.9691 -4.9691 2.9897 2.9897 3.3799 3.3799 3.7416 3.7416 4.1762 4.1762 4.8652 4.8652 5.0323 5.0323 8.5483 8.5483 10.6192 10.6192 10.6783 10.6783 11.1422 11.1422 k = 0.3617-0.5605-0.3423 ( 5639 PWs) bands (ev): -44.7121 -44.7121 -35.6546 -35.6546 -16.7623 -16.7623 -16.6886 -16.6886 -16.5872 -16.5872 -16.5793 -16.5793 -15.3124 -15.3124 -15.2116 -15.2116 -5.2655 -5.2655 -4.9601 -4.9601 2.9502 2.9502 3.3756 3.3756 3.7650 3.7650 4.1728 4.1728 4.8219 4.8219 5.0230 5.0230 8.5310 8.5310 10.6639 10.6639 10.7281 10.7281 11.1919 11.1919 k = 0.3723-0.5770-0.3524 ( 5636 PWs) bands (ev): -44.7120 -44.7120 -35.6542 -35.6542 -16.7624 -16.7624 -16.6903 -16.6903 -16.5875 -16.5875 -16.5793 -16.5793 -15.3157 -15.3157 -15.2120 -15.2120 -5.2567 -5.2567 -4.9502 -4.9502 2.9083 2.9083 3.3773 3.3773 3.7870 3.7870 4.1692 4.1692 4.7804 4.7804 5.0152 5.0152 8.5150 8.5150 10.7061 10.7061 10.7720 10.7720 11.2482 11.2482 k = 0.3830-0.5934-0.3625 ( 5640 PWs) bands (ev): -44.7120 -44.7120 -35.6539 -35.6539 -16.7625 -16.7625 -16.6920 -16.6920 -16.5878 -16.5878 -16.5794 -16.5794 -15.3188 -15.3188 -15.2124 -15.2124 -5.2495 -5.2495 -4.9397 -4.9397 2.8663 2.8663 3.3834 3.3834 3.8067 3.8067 4.1654 4.1654 4.7415 4.7415 5.0087 5.0087 8.5002 8.5002 10.7455 10.7455 10.8097 10.8097 11.3111 11.3111 k = 0.3936-0.6099-0.3725 ( 5643 PWs) bands (ev): -44.7120 -44.7120 -35.6536 -35.6536 -16.7626 -16.7626 -16.6935 -16.6935 -16.5881 -16.5881 -16.5794 -16.5794 -15.3217 -15.3217 -15.2127 -15.2127 -5.2437 -5.2437 -4.9288 -4.9288 2.8255 2.8255 3.3928 3.3928 3.8233 3.8233 4.1615 4.1615 4.7058 4.7058 5.0033 5.0033 8.4866 8.4866 10.7818 10.7818 10.8415 10.8415 11.3800 11.3800 k = 0.4043-0.6264-0.3826 ( 5639 PWs) bands (ev): -44.7120 -44.7120 -35.6533 -35.6533 -16.7627 -16.7627 -16.6949 -16.6949 -16.5883 -16.5883 -16.5794 -16.5794 -15.3244 -15.3244 -15.2130 -15.2130 -5.2392 -5.2392 -4.9180 -4.9180 2.7869 2.7869 3.4046 3.4046 3.8363 3.8363 4.1577 4.1577 4.6739 4.6739 4.9988 4.9988 8.4743 8.4743 10.8145 10.8145 10.8684 10.8684 11.4535 11.4535 k = 0.4149-0.6429-0.3927 ( 5650 PWs) bands (ev): -44.7120 -44.7120 -35.6531 -35.6531 -16.7628 -16.7628 -16.6962 -16.6962 -16.5886 -16.5886 -16.5795 -16.5795 -15.3269 -15.3269 -15.2132 -15.2132 -5.2357 -5.2357 -4.9075 -4.9075 2.7513 2.7513 3.4181 3.4181 3.8452 3.8452 4.1540 4.1540 4.6461 4.6461 4.9951 4.9951 8.4633 8.4633 10.8426 10.8426 10.8919 10.8919 11.5295 11.5295 k = 0.4255-0.6594-0.4027 ( 5641 PWs) bands (ev): -44.7120 -44.7120 -35.6528 -35.6528 -16.7628 -16.7628 -16.6973 -16.6973 -16.5887 -16.5887 -16.5795 -16.5795 -15.3291 -15.3291 -15.2133 -15.2133 -5.2331 -5.2331 -4.8975 -4.8975 2.7191 2.7191 3.4328 3.4328 3.8500 3.8500 4.1505 4.1505 4.6226 4.6226 4.9921 4.9921 8.4536 8.4536 10.8655 10.8655 10.9134 10.9134 11.6057 11.6057 k = 0.4362-0.6759-0.4128 ( 5638 PWs) bands (ev): -44.7120 -44.7120 -35.6526 -35.6526 -16.7629 -16.7629 -16.6983 -16.6983 -16.5889 -16.5889 -16.5795 -16.5795 -15.3311 -15.3311 -15.2134 -15.2134 -5.2311 -5.2311 -4.8885 -4.8885 2.6907 2.6907 3.4482 3.4482 3.8509 3.8509 4.1473 4.1473 4.6035 4.6035 4.9896 4.9896 8.4451 8.4451 10.8829 10.8829 10.9337 10.9337 11.6786 11.6786 k = 0.4468-0.6923-0.4229 ( 5637 PWs) bands (ev): -44.7120 -44.7120 -35.6525 -35.6525 -16.7629 -16.7629 -16.6992 -16.6992 -16.5891 -16.5891 -16.5795 -16.5795 -15.3327 -15.3327 -15.2135 -15.2135 -5.2296 -5.2296 -4.8804 -4.8804 2.6663 2.6663 3.4636 3.4636 3.8484 3.8484 4.1445 4.1445 4.5886 4.5886 4.9877 4.9877 8.4380 8.4380 10.8956 10.8956 10.9524 10.9524 11.7443 11.7443 k = 0.4574-0.7088-0.4330 ( 5643 PWs) bands (ev): -44.7120 -44.7120 -35.6523 -35.6523 -16.7630 -16.7630 -16.6999 -16.6999 -16.5892 -16.5892 -16.5795 -16.5795 -15.3341 -15.3341 -15.2136 -15.2136 -5.2286 -5.2286 -4.8736 -4.8736 2.6461 2.6461 3.4783 3.4783 3.8437 3.8437 4.1421 4.1421 4.5773 4.5773 4.9863 4.9863 8.4321 8.4321 10.9046 10.9046 10.9687 10.9687 11.7980 11.7980 k = 0.4681-0.7253-0.4430 ( 5649 PWs) bands (ev): -44.7120 -44.7120 -35.6522 -35.6522 -16.7630 -16.7630 -16.7005 -16.7005 -16.5893 -16.5893 -16.5795 -16.5795 -15.3352 -15.3352 -15.2137 -15.2137 -5.2278 -5.2278 -4.8682 -4.8682 2.6302 2.6302 3.4913 3.4913 3.8378 3.8378 4.1401 4.1401 4.5693 4.5693 4.9852 4.9852 8.4276 8.4276 10.9109 10.9109 10.9821 10.9821 11.8369 11.8369 k = 0.4787-0.7418-0.4531 ( 5643 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7630 -16.7630 -16.7009 -16.7009 -16.5894 -16.5894 -16.5795 -16.5795 -15.3360 -15.3360 -15.2137 -15.2137 -5.2273 -5.2273 -4.8643 -4.8643 2.6188 2.6188 3.5017 3.5017 3.8322 3.8322 4.1387 4.1387 4.5640 4.5640 4.9845 4.9845 8.4243 8.4243 10.9150 10.9150 10.9919 10.9919 11.8614 11.8614 k = 0.4894-0.7583-0.4632 ( 5637 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7630 -16.7630 -16.7011 -16.7011 -16.5894 -16.5894 -16.5795 -16.5795 -15.3364 -15.3364 -15.2137 -15.2137 -5.2271 -5.2271 -4.8619 -4.8619 2.6120 2.6120 3.5084 3.5084 3.8281 3.8281 4.1379 4.1379 4.5610 4.5610 4.9840 4.9840 8.4223 8.4223 10.9173 10.9173 10.9979 10.9979 11.8742 11.8742 k = 0.5000-0.7748-0.4732 ( 5636 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7630 -16.7630 -16.7012 -16.7012 -16.5894 -16.5894 -16.5795 -16.5795 -15.3366 -15.3366 -15.2137 -15.2137 -5.2270 -5.2270 -4.8611 -4.8611 2.6097 2.6097 3.5107 3.5107 3.8267 3.8267 4.1376 4.1376 4.5600 4.5600 4.9839 4.9839 8.4217 8.4217 10.9180 10.9180 10.9999 10.9999 11.8781 11.8781 k = 0.5000-0.7748-0.4732 ( 5636 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7630 -16.7630 -16.7012 -16.7012 -16.5894 -16.5894 -16.5795 -16.5795 -15.3366 -15.3366 -15.2137 -15.2137 -5.2270 -5.2270 -4.8611 -4.8611 2.6097 2.6097 3.5107 3.5107 3.8267 3.8267 4.1376 4.1376 4.5600 4.5600 4.9839 4.9839 8.4217 8.4217 10.9180 10.9180 10.9999 10.9999 11.8781 11.8781 k = 0.5000-0.7633-0.4920 ( 5638 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7631 -16.7631 -16.7012 -16.7012 -16.5894 -16.5894 -16.5795 -16.5795 -15.3365 -15.3365 -15.2139 -15.2139 -5.2265 -5.2265 -4.8613 -4.8613 2.6110 2.6110 3.5092 3.5092 3.8272 3.8272 4.1390 4.1390 4.5595 4.5595 4.9796 4.9796 8.4260 8.4260 10.9153 10.9153 10.9962 10.9962 11.8561 11.8561 k = 0.5000-0.7518-0.5108 ( 5642 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7631 -16.7631 -16.7013 -16.7013 -16.5894 -16.5894 -16.5795 -16.5795 -15.3363 -15.3363 -15.2143 -15.2143 -5.2249 -5.2249 -4.8620 -4.8620 2.6150 2.6150 3.5047 3.5047 3.8289 3.8289 4.1431 4.1431 4.5579 4.5579 4.9670 4.9670 8.4389 8.4389 10.9070 10.9070 10.9853 10.9853 11.8147 11.8147 k = 0.5000-0.7404-0.5295 ( 5636 PWs) bands (ev): -44.7120 -44.7120 -35.6520 -35.6520 -16.7631 -16.7631 -16.7013 -16.7013 -16.5894 -16.5894 -16.5795 -16.5795 -15.3360 -15.3360 -15.2150 -15.2150 -5.2224 -5.2224 -4.8632 -4.8632 2.6216 2.6216 3.4974 3.4974 3.8317 3.8317 4.1497 4.1497 4.5553 4.5553 4.9463 4.9463 8.4601 8.4601 10.8934 10.8934 10.9682 10.9682 11.7678 11.7678 k = 0.5000-0.7289-0.5483 ( 5636 PWs) bands (ev): -44.7120 -44.7120 -35.6520 -35.6520 -16.7631 -16.7631 -16.7014 -16.7014 -16.5894 -16.5894 -16.5796 -16.5796 -15.3356 -15.3356 -15.2160 -15.2160 -5.2189 -5.2189 -4.8649 -4.8649 2.6308 2.6308 3.4875 3.4875 3.8354 3.8354 4.1587 4.1587 4.5515 4.5515 4.9181 4.9181 8.4891 8.4891 10.8746 10.8746 10.9461 10.9461 11.7178 11.7178 k = 0.5000-0.7174-0.5671 ( 5636 PWs) bands (ev): -44.7120 -44.7120 -35.6519 -35.6519 -16.7631 -16.7631 -16.7016 -16.7016 -16.5893 -16.5893 -16.5796 -16.5796 -15.3350 -15.3350 -15.2173 -15.2173 -5.2144 -5.2144 -4.8671 -4.8671 2.6426 2.6426 3.4755 3.4755 3.8401 3.8401 4.1698 4.1698 4.5465 4.5465 4.8830 4.8830 8.5255 8.5255 10.8509 10.8509 10.9204 10.9204 11.6654 11.6654 k = 0.5000-0.7060-0.5859 ( 5634 PWs) bands (ev): -44.7119 -44.7119 -35.6519 -35.6519 -16.7631 -16.7631 -16.7017 -16.7017 -16.5893 -16.5893 -16.5797 -16.5797 -15.3343 -15.3343 -15.2188 -15.2188 -5.2090 -5.2090 -4.8697 -4.8697 2.6569 2.6569 3.4617 3.4617 3.8454 3.8454 4.1827 4.1827 4.5402 4.5402 4.8418 4.8418 8.5685 8.5685 10.8228 10.8228 10.8923 10.8923 11.6110 11.6110 k = 0.5000-0.6945-0.6046 ( 5632 PWs) bands (ev): -44.7119 -44.7119 -35.6518 -35.6518 -16.7631 -16.7631 -16.7019 -16.7019 -16.5893 -16.5893 -16.5797 -16.5797 -15.3336 -15.3336 -15.2206 -15.2206 -5.2027 -5.2027 -4.8728 -4.8728 2.6738 2.6738 3.4465 3.4465 3.8513 3.8513 4.1971 4.1971 4.5325 4.5325 4.7955 4.7955 8.6177 8.6177 10.7906 10.7906 10.8630 10.8630 11.5553 11.5553 k = 0.5000-0.6830-0.6234 ( 5632 PWs) bands (ev): -44.7119 -44.7119 -35.6518 -35.6518 -16.7631 -16.7631 -16.7021 -16.7021 -16.5892 -16.5892 -16.5798 -16.5798 -15.3327 -15.3327 -15.2226 -15.2226 -5.1956 -5.1956 -4.8763 -4.8763 2.6930 2.6930 3.4302 3.4302 3.8574 3.8574 4.2127 4.2127 4.5232 4.5232 4.7453 4.7453 8.6721 8.6721 10.7543 10.7543 10.8334 10.8334 11.4987 11.4987 k = 0.5000-0.6716-0.6422 ( 5622 PWs) bands (ev): -44.7119 -44.7119 -35.6517 -35.6517 -16.7631 -16.7631 -16.7024 -16.7024 -16.5892 -16.5892 -16.5799 -16.5799 -15.3317 -15.3317 -15.2248 -15.2248 -5.1876 -5.1876 -4.8802 -4.8802 2.7147 2.7147 3.4133 3.4133 3.8635 3.8635 4.2294 4.2294 4.5122 4.5122 4.6923 4.6923 8.7312 8.7312 10.7141 10.7141 10.8045 10.8045 11.4421 11.4421 k = 0.5000-0.6601-0.6610 ( 5614 PWs) bands (ev): -44.7119 -44.7119 -35.6516 -35.6516 -16.7631 -16.7631 -16.7026 -16.7026 -16.5891 -16.5891 -16.5799 -16.5799 -15.3306 -15.3306 -15.2271 -15.2271 -5.1790 -5.1790 -4.8846 -4.8846 2.7386 2.7386 3.3959 3.3959 3.8689 3.8689 4.2467 4.2467 4.4991 4.4991 4.6381 4.6381 8.7943 8.7943 10.6701 10.6701 10.7770 10.7770 11.3860 11.3860 k = 0.5000-0.6486-0.6797 ( 5616 PWs) bands (ev): -44.7119 -44.7119 -35.6515 -35.6515 -16.7632 -16.7632 -16.7029 -16.7029 -16.5891 -16.5891 -16.5800 -16.5800 -15.3295 -15.3295 -15.2297 -15.2297 -5.1696 -5.1696 -4.8893 -4.8893 2.7647 2.7647 3.3785 3.3785 3.8730 3.8730 4.2646 4.2646 4.4832 4.4832 4.5848 4.5848 8.8607 8.8607 10.6225 10.6225 10.7511 10.7511 11.3312 11.3312 k = 0.5000-0.6372-0.6985 ( 5618 PWs) bands (ev): -44.7119 -44.7119 -35.6514 -35.6514 -16.7632 -16.7632 -16.7032 -16.7032 -16.5890 -16.5890 -16.5801 -16.5801 -15.3282 -15.3282 -15.2323 -15.2323 -5.1597 -5.1597 -4.8944 -4.8944 2.7929 2.7929 3.3613 3.3613 3.8749 3.8749 4.2827 4.2827 4.4629 4.4629 4.5356 4.5356 8.9299 8.9299 10.5719 10.5719 10.7266 10.7266 11.2787 11.2787 k = 0.5000-0.6257-0.7173 ( 5618 PWs) bands (ev): -44.7119 -44.7119 -35.6513 -35.6513 -16.7633 -16.7633 -16.7035 -16.7035 -16.5890 -16.5890 -16.5802 -16.5802 -15.3269 -15.3269 -15.2350 -15.2350 -5.1492 -5.1492 -4.8999 -4.8999 2.8231 2.8231 3.3445 3.3445 3.8735 3.8735 4.3005 4.3005 4.4358 4.4358 4.4952 4.4952 9.0013 9.0013 10.5186 10.5186 10.7028 10.7028 11.2294 11.2294 k = 0.5000-0.6142-0.7361 ( 5616 PWs) bands (ev): -44.7119 -44.7119 -35.6512 -35.6512 -16.7633 -16.7633 -16.7038 -16.7038 -16.5889 -16.5889 -16.5803 -16.5803 -15.3256 -15.3256 -15.2378 -15.2378 -5.1383 -5.1383 -4.9057 -4.9057 2.8551 2.8551 3.3283 3.3283 3.8672 3.8672 4.3166 4.3166 4.4030 4.4030 4.4657 4.4657 9.0744 9.0744 10.4633 10.4633 10.6790 10.6790 11.1848 11.1848 k = 0.5000-0.6028-0.7548 ( 5604 PWs) bands (ev): -44.7119 -44.7119 -35.6511 -35.6511 -16.7633 -16.7633 -16.7042 -16.7042 -16.5888 -16.5888 -16.5804 -16.5804 -15.3242 -15.3242 -15.2407 -15.2407 -5.1270 -5.1270 -4.9118 -4.9118 2.8889 2.8889 3.3128 3.3128 3.8543 3.8543 4.3260 4.3260 4.3752 4.3752 4.4436 4.4436 9.1487 9.1487 10.4067 10.4067 10.6537 10.6537 11.1462 11.1462 k = 0.5000-0.5913-0.7736 ( 5602 PWs) bands (ev): -44.7119 -44.7119 -35.6510 -35.6510 -16.7633 -16.7633 -16.7045 -16.7045 -16.5888 -16.5888 -16.5805 -16.5805 -15.3229 -15.3229 -15.2435 -15.2435 -5.1154 -5.1154 -4.9181 -4.9181 2.9244 2.9244 3.2982 3.2982 3.8337 3.8337 4.3178 4.3178 4.3662 4.3662 4.4279 4.4279 9.2235 9.2235 10.3492 10.3492 10.6256 10.6256 11.1153 11.1153 k = 0.5000-0.5798-0.7924 ( 5604 PWs) bands (ev): -44.7119 -44.7119 -35.6509 -35.6509 -16.7634 -16.7634 -16.7049 -16.7049 -16.5888 -16.5888 -16.5805 -16.5805 -15.3215 -15.3215 -15.2462 -15.2462 -5.1037 -5.1037 -4.9247 -4.9247 2.9612 2.9612 3.2847 3.2847 3.8046 3.8046 4.3015 4.3015 4.3618 4.3618 4.4242 4.4242 9.2983 9.2983 10.2919 10.2919 10.5934 10.5934 11.0933 11.0933 k = 0.5000-0.5684-0.8112 ( 5594 PWs) bands (ev): -44.7119 -44.7119 -35.6508 -35.6508 -16.7634 -16.7634 -16.7052 -16.7052 -16.5887 -16.5887 -16.5806 -16.5806 -15.3202 -15.3202 -15.2489 -15.2489 -5.0919 -5.0919 -4.9316 -4.9316 2.9993 2.9993 3.2722 3.2722 3.7675 3.7675 4.2896 4.2896 4.3475 4.3475 4.4345 4.4345 9.3722 9.3722 10.2357 10.2357 10.5565 10.5565 11.0812 11.0812 k = 0.5000-0.5569-0.8299 ( 5594 PWs) bands (ev): -44.7119 -44.7119 -35.6507 -35.6507 -16.7634 -16.7634 -16.7056 -16.7056 -16.5886 -16.5886 -16.5807 -16.5807 -15.3189 -15.3189 -15.2514 -15.2514 -5.0802 -5.0802 -4.9386 -4.9386 3.0385 3.0385 3.2608 3.2608 3.7240 3.7240 4.2832 4.2832 4.3282 4.3282 4.4521 4.4521 9.4440 9.4440 10.1820 10.1820 10.5145 10.5145 11.0791 11.0791 k = 0.5000-0.5454-0.8487 ( 5594 PWs) bands (ev): -44.7119 -44.7119 -35.6506 -35.6506 -16.7635 -16.7635 -16.7059 -16.7059 -16.5886 -16.5886 -16.5807 -16.5807 -15.3177 -15.3177 -15.2538 -15.2538 -5.0685 -5.0685 -4.9457 -4.9457 3.0783 3.0783 3.2506 3.2506 3.6760 3.6760 4.2776 4.2776 4.3112 4.3112 4.4726 4.4726 9.5117 9.5117 10.1329 10.1329 10.4679 10.4679 11.0866 11.0866 k = 0.5000-0.5340-0.8675 ( 5592 PWs) bands (ev): -44.7119 -44.7119 -35.6505 -35.6505 -16.7635 -16.7635 -16.7062 -16.7062 -16.5886 -16.5886 -16.5808 -16.5808 -15.3166 -15.3166 -15.2559 -15.2559 -5.0572 -5.0572 -4.9530 -4.9530 3.1185 3.1185 3.2416 3.2416 3.6256 3.6256 4.2625 4.2625 4.3070 4.3070 4.4946 4.4946 9.5721 9.5721 10.0920 10.0920 10.4174 10.4174 11.1029 11.1029 k = 0.5000-0.5225-0.8863 ( 5594 PWs) bands (ev): -44.7119 -44.7119 -35.6505 -35.6505 -16.7635 -16.7635 -16.7065 -16.7065 -16.5885 -16.5885 -16.5808 -16.5808 -15.3157 -15.3157 -15.2578 -15.2578 -5.0463 -5.0463 -4.9603 -4.9603 3.1583 3.1583 3.2337 3.2337 3.5749 3.5749 4.2392 4.2392 4.3137 4.3137 4.5177 4.5177 9.6197 9.6197 10.0646 10.0646 10.3639 10.3639 11.1271 11.1271 k = 0.5000-0.5110-0.9050 ( 5600 PWs) bands (ev): -44.7119 -44.7119 -35.6504 -35.6504 -16.7636 -16.7636 -16.7068 -16.7068 -16.5885 -16.5885 -16.5809 -16.5809 -15.3149 -15.3149 -15.2593 -15.2593 -5.0359 -5.0359 -4.9675 -4.9675 3.1965 3.1965 3.2269 3.2269 3.5260 3.5260 4.2132 4.2132 4.3252 4.3252 4.5414 4.5414 9.6476 9.6476 10.0577 10.0577 10.3082 10.3082 11.1583 11.1583 k = 0.5000-0.4996-0.9238 ( 5608 PWs) bands (ev): -44.7119 -44.7119 -35.6504 -35.6504 -16.7636 -16.7636 -16.7070 -16.7070 -16.5885 -16.5885 -16.5809 -16.5809 -15.3143 -15.3143 -15.2605 -15.2605 -5.0263 -5.0263 -4.9746 -4.9746 3.2205 3.2205 3.2314 3.2314 3.4823 3.4823 4.1866 4.1866 4.3389 4.3389 4.5659 4.5659 9.6514 9.6514 10.0755 10.0755 10.2514 10.2514 11.1957 11.1957 k = 0.5000-0.4881-0.9426 ( 5614 PWs) bands (ev): -44.7119 -44.7119 -35.6503 -35.6503 -16.7636 -16.7636 -16.7072 -16.7072 -16.5885 -16.5885 -16.5809 -16.5809 -15.3139 -15.3139 -15.2614 -15.2614 -5.0179 -5.0179 -4.9810 -4.9810 3.2158 3.2158 3.2557 3.2557 3.4501 3.4501 4.1601 4.1601 4.3540 4.3540 4.5909 4.5909 9.6344 9.6344 10.1123 10.1123 10.1963 10.1963 11.2388 11.2388 k = 0.5000-0.4766-0.9613 ( 5612 PWs) bands (ev): -44.7119 -44.7119 -35.6503 -35.6503 -16.7636 -16.7636 -16.7073 -16.7073 -16.5884 -16.5884 -16.5809 -16.5809 -15.3137 -15.3137 -15.2619 -15.2619 -5.0117 -5.0117 -4.9860 -4.9860 3.2115 3.2115 3.2608 3.2608 3.4395 3.4395 4.1343 4.1343 4.3697 4.3697 4.6164 4.6164 9.6039 9.6039 10.1192 10.1192 10.1850 10.1850 11.2867 11.2867 k = 0.5000-0.4652-0.9801 ( 5616 PWs) bands (ev): -44.7119 -44.7119 -35.6503 -35.6503 -16.7637 -16.7637 -16.7074 -16.7074 -16.5884 -16.5884 -16.5809 -16.5809 -15.3136 -15.3136 -15.2620 -15.2620 -5.0100 -5.0100 -4.9874 -4.9874 3.2075 3.2075 3.2436 3.2436 3.4541 3.4541 4.1096 4.1096 4.3854 4.3854 4.6423 4.6423 9.5663 9.5663 10.0657 10.0657 10.2420 10.2420 11.3392 11.3392 k = 0.5000-0.4537-0.9989 ( 5616 PWs) bands (ev): -44.7119 -44.7119 -35.6503 -35.6503 -16.7637 -16.7637 -16.7074 -16.7074 -16.5884 -16.5884 -16.5809 -16.5809 -15.3137 -15.3137 -15.2617 -15.2617 -5.0132 -5.0132 -4.9847 -4.9847 3.2024 3.2024 3.2147 3.2147 3.4844 3.4844 4.0865 4.0865 4.4009 4.4009 4.6687 4.6687 9.5255 9.5255 10.0066 10.0066 10.3084 10.3084 11.3955 11.3955 k = 0.5000-0.4422-1.0177 ( 5614 PWs) bands (ev): -44.7119 -44.7119 -35.6503 -35.6503 -16.7637 -16.7637 -16.7074 -16.7074 -16.5883 -16.5883 -16.5808 -16.5808 -15.3139 -15.3139 -15.2612 -15.2612 -5.0189 -5.0189 -4.9804 -4.9804 3.1767 3.1767 3.2024 3.2024 3.5217 3.5217 4.0654 4.0654 4.4157 4.4157 4.6955 4.6955 9.4839 9.4839 9.9468 9.9468 10.3772 10.3772 11.4551 11.4551 k = 0.5000-0.4308-1.0364 ( 5608 PWs) bands (ev): -44.7119 -44.7119 -35.6504 -35.6504 -16.7636 -16.7636 -16.7073 -16.7073 -16.5883 -16.5883 -16.5807 -16.5807 -15.3141 -15.3141 -15.2604 -15.2604 -5.0254 -5.0254 -4.9764 -4.9764 3.1424 3.1424 3.1984 3.1984 3.5621 3.5621 4.0469 4.0469 4.4296 4.4296 4.7227 4.7227 9.4429 9.4429 9.8870 9.8870 10.4460 10.4460 11.5175 11.5175 k = 0.8135-0.3384-0.8565 ( 5608 PWs) bands (ev): -44.7119 -44.7119 -35.6504 -35.6504 -16.7636 -16.7636 -16.7073 -16.7073 -16.5883 -16.5883 -16.5807 -16.5807 -15.3141 -15.3141 -15.2604 -15.2604 -5.0254 -5.0254 -4.9764 -4.9764 3.1424 3.1424 3.1984 3.1984 3.5621 3.5621 4.0469 4.0469 4.4296 4.4296 4.7227 4.7227 9.4429 9.4429 9.8870 9.8870 10.4460 10.4460 11.5175 11.5175 k = 0.8072-0.3287-0.8375 ( 5608 PWs) bands (ev): -44.7119 -44.7119 -35.6505 -35.6505 -16.7636 -16.7636 -16.7071 -16.7071 -16.5882 -16.5882 -16.5807 -16.5807 -15.3143 -15.3143 -15.2593 -15.2593 -5.0322 -5.0322 -4.9731 -4.9731 3.1093 3.1093 3.1944 3.1944 3.6040 3.6040 4.0311 4.0311 4.4424 4.4424 4.7503 4.7503 9.4029 9.4029 9.8273 9.8273 10.5140 10.5140 11.5825 11.5825 k = 0.8009-0.3190-0.8186 ( 5612 PWs) bands (ev): -44.7119 -44.7119 -35.6505 -35.6505 -16.7636 -16.7636 -16.7068 -16.7068 -16.5881 -16.5881 -16.5806 -16.5806 -15.3146 -15.3146 -15.2580 -15.2580 -5.0390 -5.0390 -4.9709 -4.9709 3.0790 3.0790 3.1899 3.1899 3.6462 3.6462 4.0187 4.0188 4.4538 4.4538 4.7783 4.7783 9.3649 9.3649 9.7682 9.7682 10.5794 10.5794 11.6486 11.6486 k = 0.7947-0.3093-0.7997 ( 5612 PWs) bands (ev): -44.7119 -44.7119 -35.6507 -35.6507 -16.7635 -16.7635 -16.7064 -16.7064 -16.5880 -16.5880 -16.5806 -16.5806 -15.3147 -15.3147 -15.2565 -15.2565 -5.0457 -5.0457 -4.9699 -4.9699 3.0520 3.0520 3.1845 3.1845 3.6881 3.6881 4.0102 4.0102 4.4636 4.4636 4.8064 4.8064 9.3293 9.3293 9.7101 9.7101 10.6415 10.6415 11.7143 11.7143 k = 0.7884-0.2995-0.7808 ( 5616 PWs) bands (ev): -44.7119 -44.7119 -35.6508 -35.6508 -16.7635 -16.7635 -16.7059 -16.7059 -16.5880 -16.5880 -16.5805 -16.5805 -15.3147 -15.3147 -15.2549 -15.2549 -5.0522 -5.0522 -4.9703 -4.9703 3.0287 3.0287 3.1781 3.1781 3.7292 3.7292 4.0056 4.0056 4.4718 4.4718 4.8347 4.8347 9.2962 9.2962 9.6531 9.6531 10.6991 10.6991 11.7769 11.7769 k = 0.7821-0.2898-0.7618 ( 5618 PWs) bands (ev): -44.7119 -44.7119 -35.6509 -35.6509 -16.7635 -16.7635 -16.7053 -16.7053 -16.5879 -16.5879 -16.5804 -16.5804 -15.3146 -15.3146 -15.2532 -15.2532 -5.0586 -5.0586 -4.9721 -4.9721 3.0093 3.0093 3.1707 3.1707 3.7693 3.7693 4.0054 4.0054 4.4782 4.4782 4.8629 4.8629 9.2659 9.2659 9.5974 9.5974 10.7517 10.7517 11.8056 11.8056 k = 0.7758-0.2801-0.7429 ( 5624 PWs) bands (ev): -44.7119 -44.7119 -35.6511 -35.6511 -16.7634 -16.7634 -16.7046 -16.7046 -16.5878 -16.5878 -16.5804 -16.5804 -15.3143 -15.3143 -15.2514 -15.2514 -5.0647 -5.0647 -4.9753 -4.9753 2.9940 2.9940 3.1622 3.1622 3.8080 3.8080 4.0096 4.0096 4.4827 4.4827 4.8912 4.8912 9.2384 9.2384 9.5432 9.5432 10.7986 10.7986 11.7777 11.7777 k = 0.7696-0.2704-0.7240 ( 5618 PWs) bands (ev): -44.7119 -44.7119 -35.6513 -35.6513 -16.7633 -16.7633 -16.7038 -16.7038 -16.5876 -16.5876 -16.5803 -16.5803 -15.3139 -15.3139 -15.2495 -15.2495 -5.0706 -5.0706 -4.9801 -4.9801 2.9829 2.9829 3.1527 3.1527 3.8452 3.8452 4.0181 4.0181 4.4855 4.4855 4.9192 4.9192 9.2138 9.2138 9.4907 9.4907 10.8394 10.8394 11.7487 11.7487 k = 0.7633-0.2607-0.7050 ( 5616 PWs) bands (ev): -44.7119 -44.7119 -35.6515 -35.6515 -16.7632 -16.7632 -16.7029 -16.7029 -16.5874 -16.5874 -16.5802 -16.5802 -15.3132 -15.3132 -15.2476 -15.2476 -5.0762 -5.0762 -4.9863 -4.9863 2.9761 2.9761 3.1424 3.1424 3.8805 3.8805 4.0311 4.0311 4.4866 4.4866 4.9470 4.9470 9.1921 9.1921 9.4401 9.4401 10.8740 10.8740 11.7207 11.7207 k = 0.7570-0.2510-0.6861 ( 5610 PWs) bands (ev): -44.7119 -44.7119 -35.6518 -35.6518 -16.7631 -16.7631 -16.7019 -16.7019 -16.5873 -16.5873 -16.5801 -16.5801 -15.3124 -15.3124 -15.2456 -15.2456 -5.0816 -5.0816 -4.9941 -4.9941 2.9735 2.9735 3.1314 3.1314 3.9138 3.9138 4.0483 4.0483 4.4860 4.4860 4.9744 4.9744 9.1731 9.1731 9.3916 9.3916 10.9023 10.9023 11.6930 11.6930 k = 0.7508-0.2413-0.6672 ( 5602 PWs) bands (ev): -44.7119 -44.7119 -35.6520 -35.6520 -16.7630 -16.7630 -16.7008 -16.7008 -16.5871 -16.5871 -16.5800 -16.5800 -15.3113 -15.3113 -15.2437 -15.2437 -5.0866 -5.0866 -5.0034 -5.0034 2.9752 2.9752 3.1201 3.1201 3.9447 3.9447 4.0695 4.0695 4.4839 4.4839 5.0012 5.0012 9.1570 9.1570 9.3453 9.3453 10.9248 10.9248 11.6651 11.6651 k = 0.7445-0.2315-0.6482 ( 5614 PWs) bands (ev): -44.7120 -44.7120 -35.6523 -35.6523 -16.7629 -16.7629 -16.6995 -16.6995 -16.5869 -16.5869 -16.5800 -16.5800 -15.3100 -15.3100 -15.2416 -15.2416 -5.0914 -5.0914 -5.0142 -5.0142 2.9810 2.9810 3.1087 3.1087 3.9731 3.9731 4.0946 4.0946 4.4806 4.4806 5.0273 5.0273 9.1435 9.1435 9.3015 9.3015 10.9420 10.9420 11.6359 11.6359 k = 0.7382-0.2218-0.6293 ( 5612 PWs) bands (ev): -44.7120 -44.7120 -35.6526 -35.6526 -16.7627 -16.7627 -16.6982 -16.6982 -16.5867 -16.5867 -16.5799 -16.5799 -15.3085 -15.3085 -15.2396 -15.2396 -5.0960 -5.0960 -5.0263 -5.0263 2.9909 2.9909 3.0975 3.0975 3.9986 3.9986 4.1232 4.1232 4.4762 4.4762 5.0526 5.0526 9.1326 9.1326 9.2603 9.2603 10.9545 10.9545 11.6048 11.6048 k = 0.7320-0.2121-0.6104 ( 5608 PWs) bands (ev): -44.7120 -44.7120 -35.6530 -35.6530 -16.7626 -16.7626 -16.6967 -16.6967 -16.5864 -16.5864 -16.5798 -16.5798 -15.3068 -15.3068 -15.2375 -15.2375 -5.1003 -5.1003 -5.0399 -5.0399 3.0048 3.0048 3.0869 3.0869 4.0212 4.0212 4.1552 4.1552 4.4712 4.4712 5.0768 5.0768 9.1240 9.1240 9.2220 9.2220 10.9629 10.9629 11.5710 11.5710 k = 0.7257-0.2024-0.5915 ( 5612 PWs) bands (ev): -44.7120 -44.7120 -35.6533 -35.6533 -16.7625 -16.7625 -16.6952 -16.6952 -16.5862 -16.5862 -16.5798 -16.5798 -15.3049 -15.3049 -15.2355 -15.2355 -5.1044 -5.1044 -5.0546 -5.0546 3.0222 3.0222 3.0772 3.0772 4.0405 4.0405 4.1901 4.1901 4.4658 4.4658 5.0998 5.0998 9.1175 9.1175 9.1870 9.1870 10.9676 10.9676 11.5336 11.5336 k = 0.7194-0.1927-0.5725 ( 5606 PWs) bands (ev): -44.7120 -44.7120 -35.6537 -35.6537 -16.7623 -16.7623 -16.6935 -16.6935 -16.5859 -16.5859 -16.5797 -16.5797 -15.3028 -15.3028 -15.2334 -15.2334 -5.1086 -5.1086 -5.0704 -5.0704 3.0424 3.0424 3.0695 3.0695 4.0564 4.0564 4.2278 4.2278 4.4604 4.4604 5.1214 5.1214 9.1123 9.1123 9.1561 9.1561 10.9691 10.9691 11.4883 11.4883 k = 0.7132-0.1830-0.5536 ( 5600 PWs) bands (ev): -44.7120 -44.7120 -35.6541 -35.6541 -16.7621 -16.7621 -16.6918 -16.6918 -16.5856 -16.5856 -16.5796 -16.5796 -15.3006 -15.3006 -15.2312 -15.2312 -5.1134 -5.1134 -5.0864 -5.0864 3.0552 3.0552 3.0737 3.0737 4.0688 4.0688 4.2680 4.2680 4.4554 4.4554 5.1413 5.1413 9.1053 9.1053 9.1324 9.1324 10.9672 10.9672 11.4208 11.4208 k = 0.7069-0.1732-0.5347 ( 5606 PWs) bands (ev): -44.7120 -44.7120 -35.6545 -35.6545 -16.7619 -16.7619 -16.6899 -16.6899 -16.5853 -16.5853 -16.5796 -16.5796 -15.2982 -15.2982 -15.2290 -15.2290 -5.1212 -5.1212 -5.1004 -5.1004 3.0517 3.0517 3.0987 3.0987 4.0779 4.0779 4.3102 4.3102 4.4513 4.4513 5.1594 5.1594 9.0895 9.0895 9.1228 9.1228 10.9616 10.9616 11.3400 11.3400 k = 0.7006-0.1635-0.5157 ( 5610 PWs) bands (ev): -44.7121 -44.7121 -35.6549 -35.6549 -16.7618 -16.7618 -16.6880 -16.6880 -16.5850 -16.5850 -16.5796 -16.5796 -15.2957 -15.2957 -15.2268 -15.2268 -5.1353 -5.1353 -5.1088 -5.1088 3.0477 3.0477 3.1286 3.1286 4.0839 4.0839 4.3539 4.3539 4.4486 4.4486 5.1755 5.1755 9.0696 9.0696 9.1227 9.1227 10.9518 10.9518 11.2571 11.2571 k = 0.6943-0.1538-0.4968 ( 5610 PWs) bands (ev): -44.7121 -44.7121 -35.6553 -35.6553 -16.7616 -16.7616 -16.6860 -16.6860 -16.5847 -16.5847 -16.5795 -16.5795 -15.2931 -15.2931 -15.2245 -15.2245 -5.1541 -5.1541 -5.1131 -5.1131 3.0452 3.0452 3.1609 3.1609 4.0871 4.0871 4.3970 4.3970 4.4492 4.4492 5.1894 5.1894 9.0513 9.0513 9.1262 9.1262 10.9365 10.9365 11.1747 11.1747 k = 0.6881-0.1441-0.4779 ( 5612 PWs) bands (ev): -44.7121 -44.7121 -35.6558 -35.6558 -16.7614 -16.7614 -16.6839 -16.6839 -16.5843 -16.5843 -16.5795 -16.5795 -15.2904 -15.2904 -15.2222 -15.2222 -5.1751 -5.1751 -5.1160 -5.1160 3.0446 3.0446 3.1949 3.1949 4.0881 4.0881 4.4277 4.4277 4.4649 4.4649 5.2009 5.2009 9.0359 9.0359 9.1318 9.1318 10.9146 10.9146 11.0942 11.0942 k = 0.6818-0.1344-0.4590 ( 5602 PWs) bands (ev): -44.7121 -44.7121 -35.6562 -35.6562 -16.7612 -16.7612 -16.6818 -16.6818 -16.5840 -16.5840 -16.5794 -16.5794 -15.2876 -15.2876 -15.2197 -15.2197 -5.1974 -5.1974 -5.1181 -5.1181 3.0461 3.0461 3.2297 3.2297 4.0878 4.0878 4.4351 4.4351 4.5063 4.5063 5.2097 5.2097 9.0238 9.0238 9.1392 9.1392 10.8851 10.8851 11.0165 11.0165 k = 0.6755-0.1247-0.4400 ( 5608 PWs) bands (ev): -44.7121 -44.7121 -35.6567 -35.6567 -16.7610 -16.7610 -16.6796 -16.6796 -16.5836 -16.5836 -16.5794 -16.5794 -15.2849 -15.2849 -15.2171 -15.2171 -5.2205 -5.2205 -5.1198 -5.1198 3.0498 3.0498 3.2646 3.2646 4.0870 4.0870 4.4374 4.4374 4.5549 4.5549 5.2157 5.2157 9.0149 9.0149 9.1479 9.1479 10.8470 10.8470 10.9430 10.9430 k = 0.6693-0.1150-0.4211 ( 5606 PWs) bands (ev): -44.7121 -44.7121 -35.6572 -35.6572 -16.7608 -16.7608 -16.6774 -16.6774 -16.5833 -16.5833 -16.5794 -16.5794 -15.2821 -15.2821 -15.2144 -15.2144 -5.2443 -5.2443 -5.1211 -5.1211 3.0559 3.0559 3.2984 3.2984 4.0868 4.0868 4.4399 4.4399 4.6055 4.6055 5.2188 5.2188 9.0092 9.0092 9.1578 9.1578 10.8007 10.8007 10.8745 10.8745 k = 0.6630-0.1052-0.4022 ( 5602 PWs) bands (ev): -44.7122 -44.7122 -35.6576 -35.6576 -16.7605 -16.7605 -16.6752 -16.6752 -16.5829 -16.5829 -16.5794 -16.5794 -15.2794 -15.2794 -15.2116 -15.2116 -5.2686 -5.2686 -5.1221 -5.1221 3.0645 3.0645 3.3301 3.3301 4.0880 4.0880 4.4434 4.4434 4.6571 4.6571 5.2189 5.2189 9.0065 9.0065 9.1685 9.1685 10.7478 10.7478 10.8112 10.8112 k = 0.6567-0.0955-0.3832 ( 5602 PWs) bands (ev): -44.7122 -44.7122 -35.6581 -35.6581 -16.7603 -16.7603 -16.6729 -16.6729 -16.5825 -16.5825 -16.5793 -16.5793 -15.2768 -15.2768 -15.2086 -15.2086 -5.2933 -5.2933 -5.1229 -5.1229 3.0756 3.0756 3.3586 3.3586 4.0916 4.0916 4.4486 4.4486 4.7091 4.7091 5.2158 5.2158 9.0067 9.0067 9.1800 9.1800 10.6915 10.6915 10.7514 10.7514 k = 0.6505-0.0858-0.3643 ( 5600 PWs) bands (ev): -44.7122 -44.7122 -35.6586 -35.6586 -16.7601 -16.7601 -16.6706 -16.6706 -16.5822 -16.5822 -16.5793 -16.5793 -15.2743 -15.2743 -15.2055 -15.2055 -5.3182 -5.3182 -5.1235 -5.1235 3.0893 3.0893 3.3827 3.3827 4.0981 4.0981 4.4563 4.4563 4.7612 4.7612 5.2095 5.2095 9.0093 9.0093 9.1918 9.1918 10.6351 10.6351 10.6939 10.6939 k = 0.6442-0.0761-0.3454 ( 5606 PWs) bands (ev): -44.7122 -44.7122 -35.6591 -35.6591 -16.7599 -16.7599 -16.6684 -16.6684 -16.5818 -16.5818 -16.5793 -16.5793 -15.2719 -15.2719 -15.2022 -15.2022 -5.3432 -5.3432 -5.1239 -5.1239 3.1056 3.1056 3.4017 3.4017 4.1075 4.1075 4.4673 4.4673 4.8130 4.8130 5.2000 5.2000 9.0141 9.0141 9.2038 9.2038 10.5799 10.5799 10.6388 10.6388 k = 0.6379-0.0664-0.3265 ( 5612 PWs) bands (ev): -44.7122 -44.7122 -35.6596 -35.6596 -16.7597 -16.7597 -16.6661 -16.6661 -16.5815 -16.5815 -16.5793 -16.5793 -15.2696 -15.2696 -15.1987 -15.1987 -5.3682 -5.3682 -5.1242 -5.1242 3.1246 3.1246 3.4148 3.4148 4.1194 4.1194 4.4828 4.4828 4.8640 4.8640 5.1876 5.1876 9.0207 9.0207 9.2157 9.2157 10.5253 10.5253 10.5880 10.5880 k = 0.6317-0.0567-0.3075 ( 5614 PWs) bands (ev): -44.7123 -44.7123 -35.6601 -35.6601 -16.7595 -16.7595 -16.6639 -16.6639 -16.5812 -16.5812 -16.5793 -16.5793 -15.2675 -15.2675 -15.1951 -15.1951 -5.3931 -5.3931 -5.1242 -5.1242 3.1463 3.1463 3.4222 3.4222 4.1325 4.1325 4.5042 4.5042 4.9135 4.9135 5.1727 5.1727 9.0286 9.0286 9.2273 9.2273 10.4691 10.4691 10.5449 10.5449 k = 0.6254-0.0470-0.2886 ( 5620 PWs) bands (ev): -44.7123 -44.7123 -35.6606 -35.6606 -16.7593 -16.7593 -16.6617 -16.6617 -16.5810 -16.5810 -16.5792 -16.5792 -15.2656 -15.2656 -15.1914 -15.1914 -5.4177 -5.4177 -5.1242 -5.1242 3.1706 3.1706 3.4242 3.4242 4.1453 4.1453 4.5326 4.5326 4.9601 4.9601 5.1564 5.1564 9.0375 9.0375 9.2384 9.2384 10.4099 10.4099 10.5117 10.5117 k = 0.6191-0.0372-0.2697 ( 5624 PWs) bands (ev): -44.7123 -44.7123 -35.6610 -35.6610 -16.7591 -16.7591 -16.6595 -16.6595 -16.5808 -16.5808 -16.5791 -16.5791 -15.2638 -15.2638 -15.1876 -15.1876 -5.4420 -5.4420 -5.1240 -5.1240 3.1977 3.1977 3.4213 3.4213 4.1564 4.1564 4.5688 4.5688 5.0003 5.0003 5.1420 5.1420 9.0469 9.0469 9.2488 9.2488 10.3480 10.3480 10.4890 10.4890 k = 0.6128-0.0275-0.2507 ( 5630 PWs) bands (ev): -44.7123 -44.7123 -35.6615 -35.6615 -16.7589 -16.7589 -16.6574 -16.6574 -16.5806 -16.5806 -16.5790 -16.5790 -15.2622 -15.2622 -15.1837 -15.1837 -5.4658 -5.4658 -5.1238 -5.1238 3.2274 3.2274 3.4145 3.4145 4.1648 4.1648 4.6130 4.6130 5.0246 5.0246 5.1387 5.1387 9.0565 9.0565 9.2583 9.2583 10.2841 10.2841 10.4765 10.4765 k = 0.6066-0.0178-0.2318 ( 5630 PWs) bands (ev): -44.7123 -44.7123 -35.6619 -35.6619 -16.7587 -16.7587 -16.6553 -16.6553 -16.5805 -16.5805 -16.5788 -16.5788 -15.2608 -15.2608 -15.1797 -15.1797 -5.4889 -5.4889 -5.1234 -5.1234 3.2597 3.2597 3.4045 3.4045 4.1703 4.1703 4.6645 4.6645 5.0222 5.0222 5.1575 5.1575 9.0661 9.0661 9.2667 9.2667 10.2186 10.2186 10.4741 10.4741 k = 0.6003-0.0081-0.2129 ( 5636 PWs) bands (ev): -44.7124 -44.7124 -35.6624 -35.6624 -16.7586 -16.7586 -16.6533 -16.6533 -16.5804 -16.5804 -16.5787 -16.5787 -15.2595 -15.2595 -15.1758 -15.1758 -5.5114 -5.5114 -5.1230 -5.1230 3.2945 3.2945 3.3922 3.3922 4.1730 4.1730 4.7221 4.7221 4.9997 4.9997 5.1914 5.1914 9.0755 9.0755 9.2740 9.2740 10.1522 10.1522 10.4816 10.4816 k = 0.5940 0.0016-0.1939 ( 5634 PWs) bands (ev): -44.7124 -44.7124 -35.6628 -35.6628 -16.7584 -16.7584 -16.6514 -16.6514 -16.5804 -16.5804 -16.5784 -16.5784 -15.2583 -15.2583 -15.1718 -15.1718 -5.5331 -5.5331 -5.1226 -5.1226 3.3314 3.3314 3.3787 3.3787 4.1733 4.1733 4.7843 4.7843 4.9680 4.9680 5.2301 5.2301 9.0848 9.0848 9.2800 9.2800 10.0849 10.0849 10.4985 10.4985 k = 0.5878 0.0113-0.1750 ( 5640 PWs) bands (ev): -44.7124 -44.7124 -35.6632 -35.6632 -16.7582 -16.7582 -16.6495 -16.6495 -16.5804 -16.5804 -16.5782 -16.5782 -15.2573 -15.2573 -15.1679 -15.1679 -5.5538 -5.5538 -5.1221 -5.1221 3.3579 3.3579 3.3771 3.3771 4.1717 4.1717 4.8473 4.8473 4.9334 4.9334 5.2693 5.2693 9.0940 9.0940 9.2848 9.2848 10.0173 10.0173 10.5246 10.5246 k = 0.5815 0.0210-0.1561 ( 5634 PWs) bands (ev): -44.7124 -44.7124 -35.6636 -35.6636 -16.7580 -16.7580 -16.6478 -16.6478 -16.5804 -16.5804 -16.5779 -16.5779 -15.2564 -15.2564 -15.1641 -15.1641 -5.5736 -5.5736 -5.1216 -5.1216 3.3453 3.3453 3.4163 3.4163 4.1687 4.1687 4.8728 4.8728 4.9347 4.9347 5.3075 5.3075 9.1033 9.1033 9.2882 9.2882 9.9497 9.9497 10.5592 10.5592 k = 0.5752 0.0308-0.1372 ( 5632 PWs) bands (ev): -44.7124 -44.7124 -35.6639 -35.6639 -16.7579 -16.7579 -16.6461 -16.6461 -16.5804 -16.5804 -16.5777 -16.5777 -15.2556 -15.2556 -15.1604 -15.1604 -5.5922 -5.5922 -5.1211 -5.1211 3.3298 3.3298 3.4608 3.4608 4.1646 4.1646 4.8343 4.8343 4.9979 4.9979 5.3439 5.3439 9.1128 9.1128 9.2902 9.2902 9.8827 9.8827 10.6016 10.6016 k = 0.5690 0.0405-0.1182 ( 5626 PWs) bands (ev): -44.7124 -44.7124 -35.6643 -35.6643 -16.7577 -16.7577 -16.6446 -16.6446 -16.5805 -16.5805 -16.5774 -16.5774 -15.2549 -15.2549 -15.1568 -15.1568 -5.6097 -5.6097 -5.1206 -5.1206 3.3142 3.3142 3.5078 3.5078 4.1599 4.1599 4.7868 4.7868 5.0671 5.0671 5.3781 5.3781 9.1226 9.1226 9.2907 9.2907 9.8168 9.8168 10.6511 10.6511 k = 0.5627 0.0502-0.0993 ( 5626 PWs) bands (ev): -44.7124 -44.7124 -35.6646 -35.6646 -16.7576 -16.7576 -16.6431 -16.6431 -16.5805 -16.5805 -16.5772 -16.5772 -15.2543 -15.2543 -15.1535 -15.1535 -5.6260 -5.6260 -5.1201 -5.1201 3.2991 3.2991 3.5570 3.5570 4.1549 4.1549 4.7358 4.7358 5.1361 5.1361 5.4100 5.4100 9.1328 9.1328 9.2898 9.2898 9.7530 9.7530 10.7069 10.7069 k = 0.5564 0.0599-0.0804 ( 5632 PWs) bands (ev): -44.7125 -44.7125 -35.6649 -35.6649 -16.7575 -16.7575 -16.6418 -16.6418 -16.5806 -16.5806 -16.5771 -16.5771 -15.2538 -15.2538 -15.1503 -15.1503 -5.6409 -5.6409 -5.1197 -5.1197 3.2848 3.2848 3.6083 3.6083 4.1497 4.1497 4.6822 4.6822 5.2032 5.2032 5.4394 5.4394 9.1435 9.1435 9.2871 9.2871 9.6921 9.6921 10.7680 10.7680 k = 0.5502 0.0696-0.0614 ( 5632 PWs) bands (ev): -44.7125 -44.7125 -35.6651 -35.6651 -16.7574 -16.7574 -16.6406 -16.6406 -16.5806 -16.5806 -16.5769 -16.5769 -15.2533 -15.2533 -15.1474 -15.1474 -5.6544 -5.6544 -5.1192 -5.1192 3.2715 3.2715 3.6614 3.6614 4.1447 4.1447 4.6265 4.6265 5.2669 5.2669 5.4663 5.4663 9.1544 9.1544 9.2827 9.2827 9.6354 9.6354 10.8336 10.8336 k = 0.5439 0.0793-0.0425 ( 5630 PWs) bands (ev): -44.7125 -44.7125 -35.6654 -35.6654 -16.7573 -16.7573 -16.6396 -16.6396 -16.5807 -16.5807 -16.5767 -16.5767 -15.2530 -15.2530 -15.1448 -15.1448 -5.6665 -5.6665 -5.1188 -5.1188 3.2593 3.2593 3.7164 3.7164 4.1399 4.1399 4.5690 4.5690 5.3261 5.3261 5.4907 5.4907 9.1654 9.1654 9.2763 9.2763 9.5841 9.5841 10.9027 10.9027 k = 0.5376 0.0890-0.0236 ( 5632 PWs) bands (ev): -44.7125 -44.7125 -35.6656 -35.6656 -16.7572 -16.7572 -16.6386 -16.6386 -16.5807 -16.5807 -16.5766 -16.5766 -15.2527 -15.2527 -15.1425 -15.1425 -5.6771 -5.6771 -5.1185 -5.1185 3.2485 3.2485 3.7729 3.7729 4.1355 4.1355 4.5100 4.5100 5.3793 5.3793 5.5128 5.5128 9.1762 9.1762 9.2678 9.2678 9.5394 9.5394 10.9745 10.9745 k = 0.5313 0.0988-0.0047 ( 5632 PWs) bands (ev): -44.7125 -44.7125 -35.6658 -35.6658 -16.7571 -16.7571 -16.6378 -16.6378 -16.5808 -16.5808 -16.5765 -16.5765 -15.2524 -15.2524 -15.1405 -15.1405 -5.6861 -5.6861 -5.1182 -5.1182 3.2391 3.2391 3.8308 3.8308 4.1316 4.1316 4.4498 4.4498 5.4252 5.4252 5.5329 5.5329 9.1863 9.1863 9.2572 9.2572 9.5025 9.5025 11.0477 11.0477 k = 0.5251 0.1085 0.0143 ( 5632 PWs) bands (ev): -44.7125 -44.7125 -35.6659 -35.6659 -16.7571 -16.7571 -16.6372 -16.6372 -16.5808 -16.5808 -16.5764 -16.5764 -15.2522 -15.2522 -15.1389 -15.1389 -5.6936 -5.6936 -5.1179 -5.1179 3.2314 3.2314 3.8900 3.8900 4.1284 4.1284 4.3886 4.3886 5.4625 5.4625 5.5513 5.5513 9.1955 9.1955 9.2453 9.2453 9.4736 9.4736 11.1212 11.1212 k = 0.5188 0.1182 0.0332 ( 5636 PWs) bands (ev): -44.7125 -44.7125 -35.6660 -35.6660 -16.7570 -16.7570 -16.6366 -16.6366 -16.5808 -16.5808 -16.5763 -16.5763 -15.2520 -15.2520 -15.1376 -15.1376 -5.6994 -5.6994 -5.1177 -5.1177 3.2252 3.2252 3.9501 3.9501 4.1258 4.1258 4.3268 4.3268 5.4903 5.4903 5.5679 5.5679 9.2031 9.2031 9.2334 9.2334 9.4527 9.4527 11.1931 11.1931 k = 0.5125 0.1279 0.0521 ( 5632 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7570 -16.7570 -16.6363 -16.6363 -16.5808 -16.5808 -16.5762 -16.5762 -15.2519 -15.2519 -15.1366 -15.1366 -5.7036 -5.7036 -5.1175 -5.1175 3.2208 3.2208 4.0106 4.0106 4.1242 4.1242 4.2647 4.2647 5.5087 5.5087 5.5818 5.5818 9.2088 9.2088 9.2232 9.2232 9.4388 9.4388 11.2604 11.2604 k = 0.5063 0.1376 0.0711 ( 5636 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7570 -16.7570 -16.6360 -16.6360 -16.5809 -16.5809 -16.5762 -16.5762 -15.2519 -15.2519 -15.1360 -15.1360 -5.7061 -5.7061 -5.1174 -5.1174 3.2181 3.2181 4.0699 4.0699 4.1244 4.1244 4.2033 4.2033 5.5190 5.5190 5.5911 5.5911 9.2122 9.2122 9.2165 9.2165 9.4309 9.4309 11.3152 11.3152 k = 0.5000 0.1473 0.0900 ( 5642 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7570 -16.7570 -16.6360 -16.6360 -16.5809 -16.5809 -16.5762 -16.5762 -15.2519 -15.2519 -15.1359 -15.1359 -5.7070 -5.7070 -5.1174 -5.1174 3.2172 3.2172 4.1059 4.1059 4.1386 4.1386 4.1526 4.1526 5.5223 5.5223 5.5944 5.5944 9.2126 9.2126 9.2149 9.2149 9.4284 9.4284 11.3389 11.3389 k = 0.5000 0.1473 0.0900 ( 5642 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7570 -16.7570 -16.6360 -16.6360 -16.5809 -16.5809 -16.5762 -16.5762 -15.2519 -15.2519 -15.1359 -15.1359 -5.7070 -5.7070 -5.1174 -5.1174 3.2172 3.2172 4.1059 4.1059 4.1386 4.1386 4.1526 4.1526 5.5223 5.5223 5.5944 5.5944 9.2126 9.2126 9.2149 9.2149 9.4284 9.4284 11.3389 11.3389 k = 0.4792 0.1412 0.0862 ( 5639 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7570 -16.7570 -16.6360 -16.6360 -16.5808 -16.5808 -16.5762 -16.5762 -15.2518 -15.2518 -15.1359 -15.1359 -5.7078 -5.7078 -5.1164 -5.1164 3.2095 3.2095 4.1056 4.1056 4.1383 4.1383 4.1621 4.1621 5.5228 5.5228 5.5949 5.5949 9.2124 9.2124 9.2148 9.2148 9.4292 9.4292 11.3363 11.3363 k = 0.4583 0.1351 0.0825 ( 5639 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7570 -16.7570 -16.6360 -16.6360 -16.5808 -16.5808 -16.5762 -16.5762 -15.2518 -15.2518 -15.1359 -15.1359 -5.7103 -5.7103 -5.1133 -5.1133 3.1872 3.1872 4.1048 4.1048 4.1376 4.1376 4.1898 4.1898 5.5242 5.5242 5.5963 5.5963 9.2121 9.2121 9.2143 9.2143 9.4318 9.4318 11.3278 11.3278 k = 0.4375 0.1289 0.0787 ( 5633 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7570 -16.7570 -16.6361 -16.6361 -16.5807 -16.5807 -16.5762 -16.5762 -15.2518 -15.2518 -15.1359 -15.1359 -5.7144 -5.7144 -5.1082 -5.1082 3.1530 3.1530 4.1036 4.1036 4.1364 4.1364 4.2331 4.2331 5.5265 5.5265 5.5986 5.5986 9.2114 9.2114 9.2135 9.2135 9.4360 9.4360 11.3121 11.3121 k = 0.4167 0.1228 0.0750 ( 5633 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7571 -16.7571 -16.6362 -16.6362 -16.5805 -16.5805 -16.5762 -16.5762 -15.2518 -15.2518 -15.1359 -15.1359 -5.7200 -5.7200 -5.1014 -5.1014 3.1097 3.1097 4.1019 4.1019 4.1348 4.1348 4.2888 4.2888 5.5297 5.5297 5.6018 5.6018 9.2106 9.2106 9.2124 9.2124 9.4419 9.4419 11.2861 11.2861 k = 0.3958 0.1166 0.0712 ( 5627 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7572 -16.7572 -16.6363 -16.6363 -16.5803 -16.5803 -16.5762 -16.5762 -15.2517 -15.2517 -15.1359 -15.1359 -5.7267 -5.7267 -5.0929 -5.0929 3.0603 3.0603 4.0998 4.0998 4.1328 4.1328 4.3539 4.3539 5.5337 5.5337 5.6057 5.6057 9.2094 9.2094 9.2111 9.2111 9.4493 9.4493 11.2447 11.2447 k = 0.3750 0.1105 0.0675 ( 5627 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7573 -16.7573 -16.6365 -16.6365 -16.5801 -16.5801 -16.5762 -16.5762 -15.2516 -15.2516 -15.1359 -15.1359 -5.7346 -5.7346 -5.0831 -5.0831 3.0071 3.0071 4.0974 4.0974 4.1304 4.1304 4.4260 4.4260 5.5384 5.5384 5.6104 5.6104 9.2081 9.2081 9.2094 9.2094 9.4583 9.4583 11.1820 11.1820 k = 0.3542 0.1044 0.0637 ( 5621 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7573 -16.7573 -16.6366 -16.6366 -16.5798 -16.5798 -16.5762 -16.5762 -15.2516 -15.2516 -15.1359 -15.1359 -5.7432 -5.7432 -5.0722 -5.0722 2.9521 2.9521 4.0947 4.0947 4.1276 4.1276 4.5030 4.5030 5.5438 5.5438 5.6158 5.6158 9.2065 9.2065 9.2075 9.2075 9.4686 9.4686 11.0971 11.0971 k = 0.3333 0.0982 0.0600 ( 5627 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7575 -16.7575 -16.6368 -16.6368 -16.5795 -16.5795 -16.5762 -16.5762 -15.2515 -15.2515 -15.1359 -15.1359 -5.7525 -5.7525 -5.0605 -5.0605 2.8965 2.8965 4.0917 4.0917 4.1247 4.1247 4.5834 4.5834 5.5498 5.5498 5.6217 5.6217 9.2048 9.2048 9.2054 9.2054 9.4801 9.4801 10.9964 10.9964 k = 0.3125 0.0921 0.0562 ( 5627 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7576 -16.7576 -16.6370 -16.6370 -16.5792 -16.5792 -16.5762 -16.5762 -15.2514 -15.2514 -15.1359 -15.1359 -5.7622 -5.7622 -5.0481 -5.0481 2.8414 2.8414 4.0884 4.0884 4.1215 4.1215 4.6658 4.6658 5.5562 5.5562 5.6281 5.6281 9.2028 9.2028 9.2031 9.2031 9.4927 9.4927 10.8874 10.8874 k = 0.2917 0.0859 0.0525 ( 5631 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7578 -16.7578 -16.6372 -16.6372 -16.5789 -16.5789 -16.5762 -16.5762 -15.2513 -15.2513 -15.1359 -15.1359 -5.7721 -5.7721 -5.0354 -5.0354 2.7876 2.7876 4.0851 4.0851 4.1181 4.1181 4.7492 4.7492 5.5631 5.5631 5.6348 5.6348 9.2006 9.2006 9.2007 9.2007 9.5063 9.5063 10.7754 10.7754 k = 0.2708 0.0798 0.0487 ( 5631 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7579 -16.7579 -16.6374 -16.6374 -16.5786 -16.5786 -16.5762 -16.5762 -15.2512 -15.2512 -15.1359 -15.1359 -5.7820 -5.7820 -5.0226 -5.0226 2.7358 2.7358 4.0816 4.0816 4.1146 4.1146 4.8324 4.8324 5.5702 5.5702 5.6417 5.6417 9.1980 9.1980 9.1985 9.1985 9.5205 9.5205 10.6635 10.6635 k = 0.2500 0.0737 0.0450 ( 5631 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7580 -16.7580 -16.6376 -16.6376 -16.5783 -16.5783 -16.5762 -16.5762 -15.2511 -15.2511 -15.1358 -15.1358 -5.7917 -5.7917 -5.0098 -5.0098 2.6864 2.6864 4.0781 4.0781 4.1112 4.1112 4.9147 4.9147 5.5774 5.5774 5.6488 5.6488 9.1954 9.1954 9.1962 9.1962 9.5351 9.5351 10.5539 10.5539 k = 0.2292 0.0675 0.0412 ( 5637 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7582 -16.7582 -16.6378 -16.6378 -16.5780 -16.5780 -16.5762 -16.5762 -15.2510 -15.2510 -15.1358 -15.1358 -5.8012 -5.8012 -4.9974 -4.9974 2.6399 2.6399 4.0746 4.0746 4.1077 4.1077 4.9951 4.9951 5.5848 5.5848 5.6558 5.6558 9.1926 9.1926 9.1938 9.1938 9.5498 9.5498 10.4480 10.4480 k = 0.2083 0.0614 0.0375 ( 5628 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7583 -16.7583 -16.6380 -16.6380 -16.5776 -16.5776 -16.5762 -16.5762 -15.2510 -15.2510 -15.1358 -15.1358 -5.8102 -5.8102 -4.9854 -4.9854 2.5965 2.5965 4.0712 4.0712 4.1043 4.1043 5.0727 5.0727 5.5921 5.5921 5.6627 5.6627 9.1899 9.1899 9.1914 9.1914 9.5643 9.5643 10.3472 10.3472 k = 0.1875 0.0552 0.0337 ( 5625 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7584 -16.7584 -16.6382 -16.6382 -16.5773 -16.5773 -16.5762 -16.5762 -15.2509 -15.2509 -15.1358 -15.1358 -5.8187 -5.8187 -4.9740 -4.9740 2.5566 2.5566 4.0680 4.0680 4.1011 4.1011 5.1467 5.1467 5.5993 5.5993 5.6693 5.6693 9.1873 9.1873 9.1891 9.1891 9.5782 9.5782 10.2526 10.2526 k = 0.1667 0.0491 0.0300 ( 5616 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7585 -16.7585 -16.6384 -16.6384 -16.5770 -16.5770 -16.5762 -16.5762 -15.2508 -15.2508 -15.1358 -15.1358 -5.8265 -5.8265 -4.9634 -4.9634 2.5203 2.5203 4.0649 4.0649 4.0980 4.0980 5.2160 5.2160 5.6063 5.6063 5.6756 5.6756 9.1847 9.1847 9.1868 9.1868 9.5909 9.5909 10.1653 10.1653 k = 0.1458 0.0430 0.0262 ( 5622 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7587 -16.7587 -16.6385 -16.6385 -16.5768 -16.5768 -16.5762 -16.5762 -15.2507 -15.2507 -15.1358 -15.1358 -5.8336 -5.8336 -4.9538 -4.9538 2.4878 2.4878 4.0621 4.0621 4.0952 4.0952 5.2798 5.2798 5.6131 5.6131 5.6814 5.6814 9.1823 9.1823 9.1847 9.1847 9.6021 9.6021 10.0865 10.0865 k = 0.1250 0.0368 0.0225 ( 5607 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7587 -16.7587 -16.6387 -16.6387 -16.5765 -16.5765 -16.5761 -16.5761 -15.2506 -15.2506 -15.1358 -15.1358 -5.8399 -5.8399 -4.9452 -4.9452 2.4594 2.4594 4.0596 4.0596 4.0927 4.0927 5.3371 5.3371 5.6196 5.6196 5.6867 5.6867 9.1801 9.1801 9.1827 9.1827 9.6110 9.6110 10.0173 10.0173 k = 0.1042 0.0307 0.0187 ( 5604 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7588 -16.7588 -16.6388 -16.6388 -16.5763 -16.5763 -16.5761 -16.5761 -15.2506 -15.2506 -15.1358 -15.1358 -5.8453 -5.8453 -4.9377 -4.9377 2.4351 2.4351 4.0574 4.0574 4.0905 4.0905 5.3870 5.3870 5.6258 5.6258 5.6913 5.6913 9.1782 9.1782 9.1810 9.1810 9.6173 9.6173 9.9590 9.9590 k = 0.0833 0.0246 0.0150 ( 5604 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7589 -16.7589 -16.6389 -16.6389 -16.5761 -16.5761 -16.5761 -16.5761 -15.2505 -15.2505 -15.1358 -15.1358 -5.8499 -5.8499 -4.9315 -4.9315 2.4151 2.4151 4.0555 4.0555 4.0887 4.0887 5.4285 5.4285 5.6316 5.6316 5.6951 5.6951 9.1765 9.1765 9.1795 9.1795 9.6204 9.6204 9.9122 9.9122 k = 0.0625 0.0184 0.0112 ( 5598 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7590 -16.7590 -16.6390 -16.6390 -16.5761 -16.5761 -16.5759 -16.5759 -15.2505 -15.2505 -15.1358 -15.1358 -5.8534 -5.8534 -4.9266 -4.9266 2.3994 2.3994 4.0540 4.0540 4.0872 4.0872 5.4611 5.4611 5.6369 5.6369 5.6982 5.6982 9.1752 9.1752 9.1783 9.1783 9.6207 9.6207 9.8775 9.8775 k = 0.0417 0.0123 0.0075 ( 5592 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7590 -16.7590 -16.6391 -16.6391 -16.5761 -16.5761 -16.5758 -16.5758 -15.2504 -15.2504 -15.1358 -15.1358 -5.8560 -5.8560 -4.9231 -4.9231 2.3882 2.3882 4.0530 4.0530 4.0861 4.0861 5.4843 5.4843 5.6413 5.6413 5.7005 5.7005 9.1743 9.1743 9.1774 9.1774 9.6191 9.6191 9.8542 9.8542 k = 0.0208 0.0061 0.0037 ( 5583 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7590 -16.7590 -16.6391 -16.6391 -16.5761 -16.5761 -16.5757 -16.5757 -15.2504 -15.2504 -15.1358 -15.1358 -5.8575 -5.8575 -4.9209 -4.9209 2.3814 2.3814 4.0523 4.0523 4.0855 4.0855 5.4981 5.4981 5.6442 5.6442 5.7018 5.7018 9.1737 9.1737 9.1769 9.1769 9.6171 9.6171 9.8411 9.8411 k = 0.0000 0.0000 0.0000 ( 5583 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7590 -16.7590 -16.6391 -16.6391 -16.5761 -16.5761 -16.5757 -16.5757 -15.2504 -15.2504 -15.1358 -15.1358 -5.8580 -5.8580 -4.9202 -4.9202 2.3792 2.3792 4.0521 4.0521 4.0853 4.0853 5.5027 5.5027 5.6453 5.6453 5.7023 5.7023 9.1735 9.1735 9.1767 9.1767 9.6162 9.6162 9.8369 9.8369 k = 0.0000 0.0000 0.0000 ( 5583 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7590 -16.7590 -16.6391 -16.6391 -16.5761 -16.5761 -16.5757 -16.5757 -15.2504 -15.2504 -15.1358 -15.1358 -5.8580 -5.8580 -4.9202 -4.9202 2.3792 2.3792 4.0521 4.0521 4.0853 4.0853 5.5027 5.5027 5.6453 5.6453 5.7023 5.7023 9.1735 9.1735 9.1767 9.1767 9.6162 9.6162 9.8369 9.8369 k = 0.0062-0.0097-0.0188 ( 5583 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7590 -16.7590 -16.6392 -16.6392 -16.5761 -16.5761 -16.5757 -16.5757 -15.2504 -15.2504 -15.1360 -15.1360 -5.8571 -5.8571 -4.9204 -4.9204 2.3805 2.3805 4.0512 4.0512 4.0844 4.0844 5.5031 5.5031 5.6421 5.6421 5.6986 5.6986 9.1740 9.1740 9.1783 9.1783 9.6169 9.6169 9.8423 9.8423 k = 0.0125-0.0193-0.0377 ( 5593 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7590 -16.7590 -16.6393 -16.6393 -16.5762 -16.5762 -16.5758 -16.5758 -15.2505 -15.2505 -15.1366 -15.1366 -5.8545 -5.8545 -4.9210 -4.9210 2.3845 2.3845 4.0481 4.0481 4.0824 4.0824 5.5040 5.5040 5.6320 5.6320 5.6884 5.6884 9.1734 9.1734 9.1853 9.1853 9.6188 9.6188 9.8586 9.8586 k = 0.0187-0.0290-0.0565 ( 5599 PWs) bands (ev): -44.7125 -44.7125 -35.6660 -35.6660 -16.7591 -16.7591 -16.6396 -16.6396 -16.5762 -16.5762 -16.5759 -16.5759 -15.2506 -15.2506 -15.1375 -15.1375 -5.8500 -5.8500 -4.9219 -4.9219 2.3912 2.3912 4.0416 4.0416 4.0806 4.0806 5.5040 5.5040 5.6137 5.6137 5.6745 5.6745 9.1719 9.1719 9.1970 9.1970 9.6222 9.6222 9.8856 9.8856 k = 0.0250-0.0387-0.0754 ( 5599 PWs) bands (ev): -44.7125 -44.7125 -35.6659 -35.6659 -16.7591 -16.7591 -16.6400 -16.6400 -16.5763 -16.5763 -16.5759 -16.5759 -15.2508 -15.2508 -15.1388 -15.1388 -5.8438 -5.8438 -4.9233 -4.9233 2.4006 2.4006 4.0308 4.0308 4.0801 4.0801 5.4996 5.4996 5.5888 5.5888 5.6594 5.6594 9.1700 9.1700 9.2124 9.2124 9.6270 9.6270 9.9232 9.9232 k = 0.0312-0.0484-0.0942 ( 5603 PWs) bands (ev): -44.7125 -44.7125 -35.6657 -35.6657 -16.7592 -16.7592 -16.6405 -16.6405 -16.5765 -16.5765 -16.5760 -16.5760 -15.2510 -15.2510 -15.1405 -15.1405 -5.8358 -5.8358 -4.9250 -4.9250 2.4126 2.4126 4.0158 4.0158 4.0810 4.0810 5.4819 5.4819 5.5656 5.5656 5.6442 5.6442 9.1678 9.1678 9.2305 9.2305 9.6335 9.6335 9.9709 9.9709 k = 0.0374-0.0580-0.1131 ( 5607 PWs) bands (ev): -44.7125 -44.7125 -35.6656 -35.6656 -16.7592 -16.7592 -16.6412 -16.6412 -16.5766 -16.5766 -16.5762 -16.5762 -15.2513 -15.2513 -15.1425 -15.1425 -5.8262 -5.8262 -4.9270 -4.9270 2.4271 2.4271 3.9974 3.9974 4.0832 4.0832 5.4422 5.4422 5.5528 5.5528 5.6295 5.6295 9.1658 9.1658 9.2503 9.2503 9.6420 9.6420 10.0283 10.0283 k = 0.0437-0.0677-0.1319 ( 5607 PWs) bands (ev): -44.7125 -44.7125 -35.6654 -35.6654 -16.7593 -16.7593 -16.6419 -16.6419 -16.5768 -16.5768 -16.5763 -16.5763 -15.2516 -15.2516 -15.1448 -15.1448 -5.8149 -5.8149 -4.9295 -4.9295 2.4443 2.4443 3.9761 3.9761 4.0861 4.0861 5.3854 5.3854 5.5449 5.5449 5.6163 5.6163 9.1641 9.1641 9.2709 9.2709 9.6527 9.6527 10.0942 10.0942 k = 0.0499-0.0774-0.1508 ( 5603 PWs) bands (ev): -44.7125 -44.7125 -35.6651 -35.6651 -16.7593 -16.7593 -16.6428 -16.6428 -16.5770 -16.5770 -16.5764 -16.5764 -15.2520 -15.2520 -15.1473 -15.1473 -5.8020 -5.8020 -4.9322 -4.9322 2.4640 2.4640 3.9527 3.9527 4.0895 4.0895 5.3181 5.3181 5.5339 5.5339 5.6068 5.6068 9.1632 9.1632 9.2916 9.2916 9.6661 9.6661 10.1676 10.1676 k = 0.0562-0.0870-0.1696 ( 5607 PWs) bands (ev): -44.7124 -44.7124 -35.6649 -35.6649 -16.7594 -16.7594 -16.6437 -16.6437 -16.5773 -16.5773 -16.5765 -16.5765 -15.2525 -15.2525 -15.1502 -15.1502 -5.7875 -5.7875 -4.9353 -4.9353 2.4861 2.4861 3.9277 3.9277 4.0931 4.0931 5.2438 5.2438 5.5164 5.5164 5.6018 5.6018 9.1633 9.1633 9.3115 9.3115 9.6825 9.6825 10.2469 10.2469 k = 0.0624-0.0967-0.1884 ( 5603 PWs) bands (ev): -44.7124 -44.7124 -35.6646 -35.6646 -16.7594 -16.7594 -16.6448 -16.6448 -16.5775 -16.5775 -16.5767 -16.5767 -15.2530 -15.2530 -15.1533 -15.1533 -5.7714 -5.7714 -4.9386 -4.9386 2.5107 2.5107 3.9016 3.9016 4.0967 4.0967 5.1646 5.1646 5.4927 5.4927 5.5993 5.5993 9.1645 9.1645 9.3302 9.3302 9.7024 9.7024 10.3302 10.3302 k = 0.0687-0.1064-0.2073 ( 5605 PWs) bands (ev): -44.7124 -44.7124 -35.6643 -35.6643 -16.7595 -16.7595 -16.6460 -16.6460 -16.5779 -16.5779 -16.5768 -16.5768 -15.2537 -15.2537 -15.1567 -15.1567 -5.7540 -5.7540 -4.9423 -4.9423 2.5377 2.5377 3.8749 3.8749 4.0999 4.0999 5.0818 5.0818 5.4644 5.4644 5.5973 5.5973 9.1672 9.1672 9.3471 9.3471 9.7262 9.7262 10.4155 10.4155 k = 0.0749-0.1161-0.2261 ( 5611 PWs) bands (ev): -44.7124 -44.7124 -35.6639 -35.6639 -16.7596 -16.7596 -16.6473 -16.6473 -16.5782 -16.5782 -16.5770 -16.5770 -15.2544 -15.2544 -15.1602 -15.1602 -5.7351 -5.7351 -4.9461 -4.9461 2.5669 2.5669 3.8478 3.8478 4.1025 4.1025 4.9967 4.9967 5.4326 5.4326 5.5941 5.5941 9.1714 9.1714 9.3620 9.3620 9.7543 9.7543 10.5001 10.5001 k = 0.0811-0.1257-0.2450 ( 5617 PWs) bands (ev): -44.7124 -44.7124 -35.6636 -35.6636 -16.7597 -16.7597 -16.6487 -16.6487 -16.5785 -16.5785 -16.5772 -16.5772 -15.2552 -15.2552 -15.1639 -15.1639 -5.7150 -5.7150 -4.9503 -4.9503 2.5984 2.5984 3.8209 3.8209 4.1039 4.1039 4.9107 4.9107 5.3980 5.3980 5.5889 5.5889 9.1773 9.1773 9.3747 9.3747 9.7867 9.7867 10.5812 10.5812 k = 0.0874-0.1354-0.2638 ( 5615 PWs) bands (ev): -44.7124 -44.7124 -35.6632 -35.6632 -16.7598 -16.7598 -16.6502 -16.6502 -16.5789 -16.5789 -16.5773 -16.5773 -15.2562 -15.2562 -15.1677 -15.1677 -5.6936 -5.6936 -4.9546 -4.9546 2.6320 2.6320 3.7943 3.7943 4.1036 4.1036 4.8248 4.8248 5.3610 5.3610 5.5809 5.5809 9.1849 9.1849 9.3851 9.3851 9.8236 9.8236 10.6553 10.6553 k = 0.0936-0.1451-0.2827 ( 5615 PWs) bands (ev): -44.7124 -44.7124 -35.6628 -35.6628 -16.7599 -16.7599 -16.6518 -16.6518 -16.5792 -16.5792 -16.5775 -16.5775 -15.2572 -15.2572 -15.1716 -15.1716 -5.6711 -5.6711 -4.9591 -4.9591 2.6677 2.6677 3.7684 3.7684 4.1007 4.1007 4.7404 4.7404 5.3219 5.3219 5.5700 5.5700 9.1942 9.1942 9.3935 9.3935 9.8648 9.8648 10.7190 10.7190 k = 0.0999-0.1547-0.3015 ( 5615 PWs) bands (ev): -44.7124 -44.7124 -35.6624 -35.6624 -16.7600 -16.7600 -16.6534 -16.6534 -16.5796 -16.5796 -16.5777 -16.5777 -15.2584 -15.2584 -15.1755 -15.1755 -5.6475 -5.6475 -4.9638 -4.9638 2.7054 2.7054 3.7434 3.7434 4.0942 4.0942 4.6591 4.6591 5.2811 5.2811 5.5559 5.5559 9.2051 9.2051 9.3999 9.3999 9.9102 9.9102 10.7696 10.7696 k = 0.1061-0.1644-0.3204 ( 5611 PWs) bands (ev): -44.7123 -44.7123 -35.6620 -35.6620 -16.7602 -16.7602 -16.6552 -16.6552 -16.5800 -16.5800 -16.5778 -16.5778 -15.2598 -15.2598 -15.1795 -15.1795 -5.6230 -5.6230 -4.9685 -4.9685 2.7449 2.7449 3.7194 3.7194 4.0824 4.0824 4.5827 4.5827 5.2387 5.2387 5.5384 5.5384 9.2177 9.2177 9.4047 9.4047 9.9596 9.9596 10.8058 10.8058 k = 0.1123-0.1741-0.3392 ( 5611 PWs) bands (ev): -44.7123 -44.7123 -35.6615 -35.6615 -16.7603 -16.7603 -16.6570 -16.6570 -16.5804 -16.5804 -16.5780 -16.5780 -15.2613 -15.2613 -15.1834 -15.1834 -5.5977 -5.5977 -4.9734 -4.9734 2.7862 2.7862 3.6967 3.6967 4.0635 4.0635 4.5136 4.5136 5.1951 5.1951 5.5177 5.5177 9.2317 9.2317 9.4081 9.4081 10.0127 10.0127 10.8282 10.8282 k = 0.1186-0.1838-0.3580 ( 5613 PWs) bands (ev): -44.7123 -44.7123 -35.6611 -35.6611 -16.7604 -16.7604 -16.6589 -16.6589 -16.5808 -16.5808 -16.5782 -16.5782 -15.2630 -15.2630 -15.1873 -15.1873 -5.5715 -5.5715 -4.9783 -4.9783 2.8291 2.8291 3.6753 3.6753 4.0354 4.0354 4.4540 4.4540 5.1505 5.1505 5.4937 5.4937 9.2472 9.2472 9.4103 9.4103 10.0693 10.0693 10.8387 10.8387 k = 0.1248-0.1934-0.3769 ( 5625 PWs) bands (ev): -44.7123 -44.7123 -35.6606 -35.6606 -16.7606 -16.7606 -16.6609 -16.6609 -16.5812 -16.5812 -16.5783 -16.5783 -15.2648 -15.2648 -15.1911 -15.1911 -5.5448 -5.5448 -4.9833 -4.9833 2.8736 2.8736 3.6554 3.6554 3.9967 3.9967 4.4054 4.4054 5.1051 5.1051 5.4667 5.4667 9.2641 9.2641 9.4118 9.4118 10.1290 10.1290 10.8398 10.8398 k = 0.1311-0.2031-0.3957 ( 5622 PWs) bands (ev): -44.7123 -44.7123 -35.6601 -35.6601 -16.7607 -16.7607 -16.6629 -16.6629 -16.5816 -16.5816 -16.5785 -16.5785 -15.2668 -15.2668 -15.1948 -15.1948 -5.5175 -5.5175 -4.9882 -4.9882 2.9195 2.9195 3.6371 3.6371 3.9478 3.9478 4.3678 4.3678 5.0592 5.0592 5.4367 5.4367 9.2821 9.2821 9.4127 9.4127 10.1916 10.1916 10.8339 10.8339 k = 0.1373-0.2128-0.4146 ( 5628 PWs) bands (ev): -44.7123 -44.7123 -35.6596 -35.6596 -16.7608 -16.7608 -16.6650 -16.6650 -16.5821 -16.5821 -16.5786 -16.5786 -15.2689 -15.2689 -15.1983 -15.1983 -5.4898 -5.4898 -4.9932 -4.9932 2.9665 2.9665 3.6203 3.6203 3.8906 3.8906 4.3394 4.3394 5.0130 5.0130 5.4040 5.4040 9.3014 9.3014 9.4134 9.4134 10.2567 10.2567 10.8232 10.8232 k = 0.1435-0.2224-0.4334 ( 5628 PWs) bands (ev): -44.7122 -44.7122 -35.6592 -35.6592 -16.7610 -16.7610 -16.6671 -16.6671 -16.5825 -16.5825 -16.5788 -16.5788 -15.2712 -15.2712 -15.2018 -15.2018 -5.4618 -5.4618 -4.9980 -4.9980 3.0147 3.0147 3.6052 3.6052 3.8279 3.8279 4.3175 4.3175 4.9669 4.9669 5.3688 5.3688 9.3216 9.3216 9.4142 9.4142 10.3237 10.3237 10.8095 10.8095 k = 0.1498-0.2321-0.4523 ( 5628 PWs) bands (ev): -44.7122 -44.7122 -35.6587 -35.6587 -16.7611 -16.7611 -16.6693 -16.6693 -16.5829 -16.5829 -16.5789 -16.5789 -15.2737 -15.2737 -15.2050 -15.2050 -5.4336 -5.4336 -5.0027 -5.0027 3.0636 3.0636 3.5916 3.5916 3.7623 3.7623 4.2999 4.2999 4.9210 4.9210 5.3313 5.3313 9.3426 9.3426 9.4154 9.4154 10.3919 10.3919 10.7943 10.7943 k = 0.1560-0.2418-0.4711 ( 5622 PWs) bands (ev): -44.7122 -44.7122 -35.6582 -35.6582 -16.7612 -16.7612 -16.6714 -16.6714 -16.5832 -16.5832 -16.5791 -16.5791 -15.2763 -15.2763 -15.2082 -15.2082 -5.4054 -5.4054 -5.0073 -5.0073 3.1130 3.1130 3.5795 3.5795 3.6962 3.6962 4.2844 4.2844 4.8756 4.8756 5.2918 5.2918 9.3641 9.3641 9.4177 9.4177 10.4601 10.4601 10.7795 10.7795 k = 0.1623-0.2514-0.4900 ( 5634 PWs) bands (ev): -44.7122 -44.7122 -35.6577 -35.6577 -16.7614 -16.7614 -16.6736 -16.6736 -16.5837 -16.5837 -16.5792 -16.5792 -15.2789 -15.2789 -15.2111 -15.2111 -5.3772 -5.3772 -5.0117 -5.0117 3.1624 3.1624 3.5685 3.5685 3.6316 3.6316 4.2698 4.2698 4.8309 4.8309 5.2505 5.2505 9.3850 9.3850 9.4222 9.4222 10.5255 10.5255 10.7680 10.7680 k = 0.1685-0.2611-0.5088 ( 5634 PWs) bands (ev): -44.7122 -44.7122 -35.6572 -35.6572 -16.7616 -16.7616 -16.6757 -16.6757 -16.5841 -16.5841 -16.5793 -16.5793 -15.2817 -15.2817 -15.2140 -15.2140 -5.3493 -5.3493 -5.0160 -5.0160 3.2110 3.2110 3.5537 3.5537 3.5753 3.5753 4.2550 4.2550 4.7872 4.7872 5.2077 5.2077 9.4023 9.4023 9.4321 9.4321 10.5819 10.5819 10.7661 10.7661 k = 0.1748-0.2708-0.5276 ( 5628 PWs) bands (ev): -44.7121 -44.7121 -35.6568 -35.6568 -16.7617 -16.7617 -16.6779 -16.6779 -16.5844 -16.5844 -16.5794 -16.5794 -15.2845 -15.2845 -15.2167 -15.2167 -5.3216 -5.3216 -5.0200 -5.0200 3.2564 3.2564 3.5081 3.5081 3.5568 3.5568 4.2394 4.2394 4.7449 4.7449 5.1636 5.1636 9.4132 9.4132 9.4503 9.4503 10.6174 10.6174 10.7856 10.7856 k = 0.1810-0.2805-0.5465 ( 5626 PWs) bands (ev): -44.7121 -44.7121 -35.6563 -35.6563 -16.7618 -16.7618 -16.6800 -16.6800 -16.5848 -16.5848 -16.5795 -16.5795 -15.2873 -15.2873 -15.2192 -15.2192 -5.2944 -5.2944 -5.0237 -5.0237 3.2924 3.2924 3.4648 3.4648 3.5498 3.5498 4.2225 4.2225 4.7040 4.7040 5.1185 5.1185 9.4207 9.4207 9.4739 9.4739 10.6269 10.6269 10.8313 10.8313 k = 0.1872-0.2901-0.5653 ( 5632 PWs) bands (ev): -44.7121 -44.7121 -35.6558 -35.6558 -16.7620 -16.7620 -16.6821 -16.6821 -16.5852 -16.5852 -16.5796 -16.5796 -15.2901 -15.2901 -15.2217 -15.2217 -5.2677 -5.2677 -5.0271 -5.0271 3.3021 3.3021 3.4501 3.4501 3.5451 3.5451 4.2039 4.2039 4.6649 4.6649 5.0726 5.0726 9.4280 9.4280 9.4998 9.4998 10.6209 10.6209 10.8920 10.8920 k = 0.1935-0.2998-0.5842 ( 5630 PWs) bands (ev): -44.7121 -44.7121 -35.6554 -35.6554 -16.7621 -16.7621 -16.6841 -16.6841 -16.5855 -16.5855 -16.5797 -16.5797 -15.2928 -15.2928 -15.2241 -15.2241 -5.2418 -5.2418 -5.0302 -5.0302 3.2774 3.2774 3.4724 3.4724 3.5421 3.5421 4.1833 4.1833 4.6280 4.6280 5.0261 5.0261 9.4360 9.4360 9.5270 9.5270 10.6091 10.6091 10.9574 10.9574 k = 0.1997-0.3095-0.6030 ( 5632 PWs) bands (ev): -44.7121 -44.7121 -35.6550 -35.6550 -16.7622 -16.7622 -16.6861 -16.6861 -16.5858 -16.5858 -16.5799 -16.5799 -15.2954 -15.2954 -15.2264 -15.2264 -5.2166 -5.2166 -5.0330 -5.0330 3.2379 3.2379 3.5094 3.5094 3.5437 3.5437 4.1607 4.1607 4.5933 4.5933 4.9792 4.9792 9.4451 9.4451 9.5552 9.5552 10.5956 10.5956 11.0221 11.0221 k = 0.2060-0.3191-0.6219 ( 5634 PWs) bands (ev): -44.7121 -44.7121 -35.6545 -35.6545 -16.7624 -16.7624 -16.6880 -16.6880 -16.5861 -16.5861 -16.5800 -16.5800 -15.2980 -15.2980 -15.2286 -15.2286 -5.1924 -5.1924 -5.0354 -5.0354 3.1961 3.1961 3.5280 3.5280 3.5705 3.5705 4.1359 4.1359 4.5613 4.5613 4.9320 4.9320 9.4554 9.4554 9.5840 9.5840 10.5823 10.5823 11.0827 11.0827 k = 0.2122-0.3288-0.6407 ( 5640 PWs) bands (ev): -44.7120 -44.7120 -35.6541 -35.6541 -16.7625 -16.7625 -16.6899 -16.6899 -16.5864 -16.5864 -16.5801 -16.5801 -15.3004 -15.3004 -15.2308 -15.2308 -5.1692 -5.1692 -5.0374 -5.0374 3.1559 3.1559 3.5291 3.5291 3.6170 3.6170 4.1088 4.1088 4.5321 4.5321 4.8849 4.8849 9.4668 9.4668 9.6134 9.6134 10.5702 10.5702 11.1363 11.1363 k = 0.2184-0.3385-0.6596 ( 5630 PWs) bands (ev): -44.7120 -44.7120 -35.6537 -35.6537 -16.7626 -16.7626 -16.6917 -16.6917 -16.5867 -16.5867 -16.5801 -16.5801 -15.3027 -15.3027 -15.2329 -15.2329 -5.1472 -5.1472 -5.0389 -5.0389 3.1188 3.1188 3.5281 3.5281 3.6662 3.6662 4.0797 4.0797 4.5061 4.5061 4.8379 4.8379 9.4794 9.4794 9.6433 9.6433 10.5601 10.5601 11.1803 11.1803 k = 0.2247-0.3482-0.6784 ( 5624 PWs) bands (ev): -44.7120 -44.7120 -35.6534 -35.6534 -16.7627 -16.7627 -16.6934 -16.6934 -16.5869 -16.5869 -16.5802 -16.5802 -15.3048 -15.3048 -15.2350 -15.2350 -5.1264 -5.1264 -5.0400 -5.0400 3.0857 3.0857 3.5267 3.5267 3.7153 3.7153 4.0486 4.0486 4.4834 4.4834 4.7913 4.7913 9.4929 9.4929 9.6736 9.6736 10.5524 10.5524 11.2120 11.2120 k = 0.2309-0.3578-0.6972 ( 5624 PWs) bands (ev): -44.7120 -44.7120 -35.6530 -35.6530 -16.7628 -16.7628 -16.6950 -16.6950 -16.5872 -16.5872 -16.5803 -16.5803 -15.3067 -15.3067 -15.2371 -15.2371 -5.1071 -5.1071 -5.0405 -5.0405 3.0567 3.0567 3.5249 3.5249 3.7631 3.7631 4.0161 4.0161 4.4642 4.4642 4.7451 4.7451 9.5071 9.5071 9.7042 9.7042 10.5473 10.5473 11.2292 11.2292 k = 0.2372-0.3675-0.7161 ( 5622 PWs) bands (ev): -44.7120 -44.7120 -35.6527 -35.6527 -16.7629 -16.7629 -16.6965 -16.6965 -16.5874 -16.5874 -16.5804 -16.5804 -15.3085 -15.3085 -15.2392 -15.2392 -5.0894 -5.0894 -5.0403 -5.0403 3.0323 3.0323 3.5226 3.5226 3.8079 3.8079 3.9837 3.9837 4.4488 4.4488 4.6996 4.6996 9.5219 9.5219 9.7349 9.7349 10.5450 10.5450 11.2310 11.2310 k = 0.2434-0.3772-0.7349 ( 5618 PWs) bands (ev): -44.7120 -44.7120 -35.6524 -35.6524 -16.7630 -16.7630 -16.6979 -16.6979 -16.5875 -16.5875 -16.5804 -16.5804 -15.3100 -15.3100 -15.2412 -15.2412 -5.0736 -5.0736 -5.0392 -5.0392 3.0125 3.0125 3.5197 3.5197 3.8439 3.8439 3.9567 3.9567 4.4371 4.4371 4.6549 4.6549 9.5370 9.5370 9.7658 9.7658 10.5454 10.5454 11.2177 11.2177 k = 0.2496-0.3868-0.7538 ( 5618 PWs) bands (ev): -44.7119 -44.7119 -35.6521 -35.6521 -16.7631 -16.7631 -16.6992 -16.6992 -16.5877 -16.5877 -16.5805 -16.5805 -15.3113 -15.3113 -15.2432 -15.2432 -5.0605 -5.0605 -5.0365 -5.0365 2.9975 2.9975 3.5161 3.5161 3.8531 3.8531 3.9533 3.9533 4.4291 4.4291 4.6113 4.6113 9.5523 9.5523 9.7967 9.7967 10.5480 10.5480 11.1909 11.1909 k = 0.2559-0.3965-0.7726 ( 5614 PWs) bands (ev): -44.7119 -44.7119 -35.6518 -35.6518 -16.7631 -16.7631 -16.7004 -16.7004 -16.5879 -16.5879 -16.5805 -16.5805 -15.3124 -15.3124 -15.2452 -15.2452 -5.0514 -5.0514 -5.0309 -5.0309 2.9874 2.9874 3.5118 3.5118 3.8281 3.8281 3.9806 3.9806 4.4245 4.4245 4.5692 4.5692 9.5674 9.5674 9.8275 9.8275 10.5518 10.5518 11.1541 11.1541 k = 0.2621-0.4062-0.7915 ( 5610 PWs) bands (ev): -44.7119 -44.7119 -35.6516 -35.6516 -16.7632 -16.7632 -16.7016 -16.7016 -16.5880 -16.5880 -16.5806 -16.5806 -15.3133 -15.3133 -15.2472 -15.2472 -5.0461 -5.0461 -5.0226 -5.0226 2.9822 2.9822 3.5068 3.5068 3.7891 3.7891 4.0184 4.0184 4.4225 4.4225 4.5295 4.5295 9.5823 9.5823 9.8582 9.8582 10.5550 10.5550 11.1116 11.1116 k = 0.2684-0.4159-0.8103 ( 5610 PWs) bands (ev): -44.7119 -44.7119 -35.6513 -35.6513 -16.7633 -16.7633 -16.7026 -16.7026 -16.5881 -16.5881 -16.5807 -16.5807 -15.3140 -15.3140 -15.2491 -15.2491 -5.0427 -5.0427 -5.0137 -5.0137 2.9819 2.9819 3.5011 3.5011 3.7450 3.7450 4.0580 4.0580 4.4205 4.4205 4.4947 4.4947 9.5969 9.5969 9.8886 9.8886 10.5544 10.5544 11.0691 11.0691 k = 0.2746-0.4255-0.8292 ( 5616 PWs) bands (ev): -44.7119 -44.7119 -35.6512 -35.6512 -16.7634 -16.7634 -16.7035 -16.7035 -16.5882 -16.5882 -16.5807 -16.5807 -15.3145 -15.3145 -15.2510 -15.2510 -5.0398 -5.0398 -5.0055 -5.0055 2.9866 2.9866 3.4949 3.4949 3.6981 3.6981 4.0968 4.0968 4.4105 4.4105 4.4726 4.4726 9.6109 9.6109 9.9187 9.9187 10.5459 10.5459 11.0332 11.0332 k = 0.2809-0.4352-0.8480 ( 5622 PWs) bands (ev): -44.7119 -44.7119 -35.6510 -35.6510 -16.7634 -16.7634 -16.7042 -16.7042 -16.5883 -16.5883 -16.5808 -16.5808 -15.3148 -15.3148 -15.2528 -15.2528 -5.0368 -5.0368 -4.9985 -4.9985 2.9963 2.9963 3.4882 3.4882 3.6493 3.6493 4.1343 4.1343 4.3854 4.3854 4.4702 4.4702 9.6242 9.6242 9.9483 9.9483 10.5250 10.5250 11.0106 11.0106 k = 0.2871-0.4449-0.8668 ( 5628 PWs) bands (ev): -44.7119 -44.7119 -35.6508 -35.6508 -16.7635 -16.7635 -16.7049 -16.7049 -16.5884 -16.5884 -16.5808 -16.5808 -15.3149 -15.3149 -15.2545 -15.2545 -5.0337 -5.0337 -4.9928 -4.9928 3.0108 3.0108 3.4812 3.4812 3.5989 3.5989 4.1699 4.1699 4.3530 4.3530 4.4795 4.4795 9.6365 9.6365 9.9774 9.9774 10.4891 10.4891 11.0056 11.0056 k = 0.2933-0.4545-0.8857 ( 5626 PWs) bands (ev): -44.7119 -44.7119 -35.6507 -35.6507 -16.7635 -16.7635 -16.7055 -16.7055 -16.5885 -16.5885 -16.5809 -16.5809 -15.3149 -15.3149 -15.2562 -15.2562 -5.0304 -5.0304 -4.9886 -4.9886 3.0302 3.0302 3.4740 3.4740 3.5476 3.5476 4.2034 4.2034 4.3191 4.3191 4.4945 4.4945 9.6473 9.6473 10.0058 10.0058 10.4399 10.4399 11.0183 11.0183 k = 0.2996-0.4642-0.9045 ( 5616 PWs) bands (ev): -44.7119 -44.7119 -35.6506 -35.6506 -16.7636 -16.7636 -16.7060 -16.7060 -16.5885 -16.5885 -16.5809 -16.5809 -15.3147 -15.3147 -15.2577 -15.2577 -5.0269 -5.0269 -4.9858 -4.9858 3.0543 3.0543 3.4661 3.4661 3.4960 3.4960 4.2346 4.2346 4.2857 4.2857 4.5130 4.5130 9.6557 9.6557 10.0333 10.0333 10.3819 10.3819 11.0460 11.0460 k = 0.3058-0.4739-0.9234 ( 5614 PWs) bands (ev): -44.7119 -44.7119 -35.6505 -35.6505 -16.7636 -16.7636 -16.7065 -16.7065 -16.5885 -16.5885 -16.5809 -16.5809 -15.3145 -15.3145 -15.2590 -15.2590 -5.0231 -5.0231 -4.9843 -4.9843 3.0831 3.0831 3.4397 3.4397 3.4625 3.4625 4.2522 4.2522 4.2649 4.2649 4.5340 4.5340 9.6603 9.6603 10.0599 10.0599 10.3209 10.3209 11.0853 11.0853 k = 0.3121-0.4836-0.9422 ( 5608 PWs) bands (ev): -44.7119 -44.7119 -35.6504 -35.6504 -16.7636 -16.7636 -16.7068 -16.7068 -16.5885 -16.5885 -16.5809 -16.5809 -15.3142 -15.3142 -15.2601 -15.2601 -5.0193 -5.0193 -4.9841 -4.9841 3.1162 3.1162 3.3877 3.3877 3.4547 3.4547 4.2220 4.2220 4.2908 4.2908 4.5570 4.5570 9.6587 9.6587 10.0850 10.0850 10.2626 10.2626 11.1333 11.1333 k = 0.3183-0.4932-0.9611 ( 5608 PWs) bands (ev): -44.7119 -44.7119 -35.6504 -35.6504 -16.7636 -16.7636 -16.7071 -16.7071 -16.5885 -16.5885 -16.5809 -16.5809 -15.3140 -15.3140 -15.2610 -15.2610 -5.0156 -5.0156 -4.9849 -4.9849 3.1532 3.1532 3.3349 3.3349 3.4484 3.4484 4.1928 4.1928 4.3150 4.3150 4.5814 4.5814 9.6482 9.6482 10.1077 10.1077 10.2133 10.2133 11.1878 11.1878 k = 0.3245-0.5029-0.9799 ( 5620 PWs) bands (ev): -44.7119 -44.7119 -35.6503 -35.6503 -16.7637 -16.7637 -16.7072 -16.7072 -16.5885 -16.5885 -16.5809 -16.5809 -15.3138 -15.3138 -15.2616 -15.2616 -5.0122 -5.0122 -4.9862 -4.9862 3.1921 3.1921 3.2843 3.2843 3.4427 3.4427 4.1653 4.1653 4.3369 4.3369 4.6068 4.6068 9.6253 9.6253 10.1245 10.1245 10.1811 10.1811 11.2473 11.2473 k = 0.3308-0.5126-0.9988 ( 5622 PWs) bands (ev): -44.7119 -44.7119 -35.6503 -35.6503 -16.7637 -16.7637 -16.7074 -16.7074 -16.5885 -16.5885 -16.5809 -16.5809 -15.3136 -15.3136 -15.2620 -15.2620 -5.0101 -5.0101 -4.9874 -4.9874 3.2076 3.2076 3.2613 3.2613 3.4375 3.4375 4.1397 4.1397 4.3565 4.3565 4.6330 4.6330 9.5882 9.5882 10.1277 10.1277 10.1769 10.1769 11.3104 11.3104 k = 0.3370-0.5222-1.0176 ( 5626 PWs) bands (ev): -44.7119 -44.7119 -35.6503 -35.6503 -16.7637 -16.7637 -16.7074 -16.7074 -16.5884 -16.5884 -16.5809 -16.5809 -15.3136 -15.3136 -15.2619 -15.2619 -5.0104 -5.0104 -4.9871 -4.9871 3.1648 3.1648 3.3009 3.3009 3.4330 3.4330 4.1162 4.1162 4.3737 4.3737 4.6594 4.6594 9.5373 9.5373 10.1272 10.1272 10.1911 10.1911 11.3762 11.3762 k = 0.3433-0.5319-1.0364 ( 5622 PWs) bands (ev): -44.7119 -44.7119 -35.6503 -35.6503 -16.7637 -16.7637 -16.7074 -16.7074 -16.5884 -16.5884 -16.5808 -16.5808 -15.3138 -15.3138 -15.2615 -15.2615 -5.0135 -5.0135 -4.9848 -4.9848 3.1134 3.1134 3.3533 3.3533 3.4291 3.4291 4.0948 4.0948 4.3887 4.3887 4.6858 4.6858 9.4749 9.4749 10.1356 10.1356 10.2090 10.2090 11.4437 11.4437 k = 0.6567-0.3846-0.9465 ( 5622 PWs) bands (ev): -44.7119 -44.7119 -35.6503 -35.6503 -16.7637 -16.7637 -16.7074 -16.7074 -16.5884 -16.5884 -16.5808 -16.5808 -15.3138 -15.3138 -15.2615 -15.2615 -5.0135 -5.0135 -4.9848 -4.9848 3.1134 3.1134 3.3533 3.3533 3.4291 3.4291 4.0948 4.0948 4.3887 4.3887 4.6858 4.6858 9.4749 9.4749 10.1356 10.1356 10.2090 10.2090 11.4437 11.4437 k = 0.6505-0.3633-0.9465 ( 5620 PWs) bands (ev): -44.7119 -44.7119 -35.6504 -35.6504 -16.7637 -16.7637 -16.7074 -16.7074 -16.5883 -16.5883 -16.5808 -16.5808 -15.3141 -15.3141 -15.2607 -15.2607 -5.0191 -5.0191 -4.9809 -4.9809 3.0611 3.0611 3.4103 3.4103 3.4261 3.4261 4.0757 4.0757 4.4016 4.4016 4.7118 4.7118 9.4041 9.4041 10.1536 10.1536 10.2272 10.2272 11.5123 11.5123 k = 0.6442-0.3420-0.9465 ( 5616 PWs) bands (ev): -44.7119 -44.7119 -35.6504 -35.6504 -16.7637 -16.7637 -16.7073 -16.7073 -16.5882 -16.5882 -16.5807 -16.5807 -15.3147 -15.3147 -15.2596 -15.2596 -5.0261 -5.0261 -4.9761 -4.9761 3.0092 3.0092 3.4221 3.4221 3.4726 3.4726 4.0590 4.0590 4.4125 4.4125 4.7372 4.7372 9.3278 9.3278 10.1790 10.1790 10.2451 10.2451 11.5807 11.5807 k = 0.6379-0.3207-0.9465 ( 5620 PWs) bands (ev): -44.7119 -44.7119 -35.6505 -35.6505 -16.7637 -16.7637 -16.7072 -16.7072 -16.5882 -16.5882 -16.5807 -16.5807 -15.3154 -15.3154 -15.2581 -15.2581 -5.0343 -5.0343 -4.9709 -4.9709 2.9582 2.9582 3.4196 3.4196 3.5371 3.5371 4.0449 4.0449 4.4214 4.4214 4.7614 4.7614 9.2483 9.2483 10.2093 10.2093 10.2633 10.2633 11.6479 11.6479 k = 0.6317-0.2995-0.9465 ( 5618 PWs) bands (ev): -44.7119 -44.7119 -35.6505 -35.6505 -16.7636 -16.7636 -16.7070 -16.7070 -16.5881 -16.5881 -16.5806 -16.5806 -15.3163 -15.3163 -15.2562 -15.2562 -5.0433 -5.0433 -4.9655 -4.9655 2.9081 2.9081 3.4172 3.4172 3.6047 3.6047 4.0335 4.0335 4.4285 4.4285 4.7843 4.7843 9.1669 9.1669 10.2403 10.2403 10.2845 10.2845 11.7124 11.7124 k = 0.6254-0.2782-0.9465 ( 5622 PWs) bands (ev): -44.7119 -44.7119 -35.6506 -35.6506 -16.7636 -16.7636 -16.7069 -16.7069 -16.5881 -16.5881 -16.5805 -16.5805 -15.3174 -15.3174 -15.2541 -15.2541 -5.0529 -5.0529 -4.9599 -4.9599 2.8593 2.8593 3.4151 3.4151 3.6748 3.6748 4.0249 4.0249 4.4339 4.4339 4.8055 4.8055 9.0848 9.0848 10.2660 10.2660 10.3138 10.3138 11.7707 11.7707 k = 0.6191-0.2569-0.9465 ( 5618 PWs) bands (ev): -44.7119 -44.7119 -35.6507 -35.6507 -16.7636 -16.7636 -16.7067 -16.7067 -16.5880 -16.5880 -16.5804 -16.5804 -15.3185 -15.3185 -15.2518 -15.2518 -5.0629 -5.0629 -4.9543 -4.9543 2.8119 2.8119 3.4129 3.4129 3.7473 3.7473 4.0192 4.0192 4.4378 4.4378 4.8248 4.8248 9.0025 9.0025 10.2846 10.2846 10.3524 10.3524 11.7794 11.7794 k = 0.6128-0.2356-0.9465 ( 5624 PWs) bands (ev): -44.7119 -44.7119 -35.6508 -35.6508 -16.7636 -16.7636 -16.7065 -16.7065 -16.5880 -16.5880 -16.5803 -16.5803 -15.3198 -15.3198 -15.2492 -15.2492 -5.0733 -5.0733 -4.9487 -4.9487 2.7660 2.7660 3.4108 3.4108 3.8216 3.8216 4.0165 4.0165 4.4403 4.4403 4.8420 4.8420 8.9207 8.9207 10.2996 10.2996 10.3964 10.3964 11.7624 11.7624 k = 0.6066-0.2144-0.9465 ( 5630 PWs) bands (ev): -44.7119 -44.7119 -35.6509 -35.6509 -16.7636 -16.7636 -16.7063 -16.7063 -16.5879 -16.5879 -16.5802 -16.5802 -15.3211 -15.3211 -15.2466 -15.2466 -5.0838 -5.0838 -4.9432 -4.9432 2.7218 2.7218 3.4085 3.4085 3.8974 3.8974 4.0167 4.0167 4.4417 4.4417 4.8568 4.8568 8.8398 8.8398 10.3136 10.3136 10.4430 10.4430 11.7488 11.7488 k = 0.6003-0.1931-0.9465 ( 5624 PWs) bands (ev): -44.7119 -44.7119 -35.6510 -35.6510 -16.7635 -16.7635 -16.7061 -16.7061 -16.5878 -16.5878 -16.5801 -16.5801 -15.3224 -15.3224 -15.2438 -15.2438 -5.0945 -5.0945 -4.9377 -4.9377 2.6795 2.6795 3.4061 3.4061 3.9740 3.9740 4.0199 4.0199 4.4421 4.4421 4.8691 4.8691 8.7599 8.7599 10.3278 10.3278 10.4909 10.4909 11.7386 11.7386 k = 0.5940-0.1718-0.9465 ( 5626 PWs) bands (ev): -44.7119 -44.7119 -35.6511 -35.6511 -16.7635 -16.7635 -16.7059 -16.7059 -16.5878 -16.5878 -16.5800 -16.5800 -15.3238 -15.3238 -15.2409 -15.2409 -5.1050 -5.1050 -4.9325 -4.9325 2.6390 2.6390 3.4035 3.4035 4.0249 4.0249 4.0524 4.0524 4.4417 4.4417 4.8788 4.8788 8.6815 8.6815 10.3432 10.3432 10.5392 10.5392 11.7307 11.7307 k = 0.5878-0.1505-0.9465 ( 5628 PWs) bands (ev): -44.7119 -44.7119 -35.6512 -35.6512 -16.7635 -16.7635 -16.7057 -16.7057 -16.5877 -16.5877 -16.5799 -16.5799 -15.3251 -15.3251 -15.2381 -15.2381 -5.1154 -5.1154 -4.9274 -4.9274 2.6006 2.6006 3.4006 3.4006 4.0339 4.0339 4.1294 4.1294 4.4406 4.4406 4.8858 4.8858 8.6047 8.6047 10.3603 10.3603 10.5869 10.5869 11.7233 11.7233 k = 0.5815-0.1293-0.9465 ( 5628 PWs) bands (ev): -44.7119 -44.7119 -35.6513 -35.6513 -16.7635 -16.7635 -16.7055 -16.7055 -16.5877 -16.5877 -16.5798 -16.5798 -15.3265 -15.3265 -15.2352 -15.2352 -5.1256 -5.1256 -4.9225 -4.9225 2.5644 2.5644 3.3976 3.3976 4.0450 4.0450 4.2062 4.2062 4.4392 4.4392 4.8901 4.8901 8.5299 8.5299 10.3798 10.3798 10.6334 10.6334 11.7143 11.7143 k = 0.5752-0.1080-0.9465 ( 5628 PWs) bands (ev): -44.7119 -44.7119 -35.6514 -35.6514 -16.7635 -16.7635 -16.7053 -16.7053 -16.5876 -16.5876 -16.5797 -16.5797 -15.3278 -15.3278 -15.2324 -15.2324 -5.1354 -5.1354 -4.9178 -4.9178 2.5304 2.5304 3.3945 3.3945 4.0583 4.0583 4.2813 4.2813 4.4380 4.4380 4.8918 4.8918 8.4573 8.4573 10.4023 10.4023 10.6780 10.6780 11.7008 11.7008 k = 0.5690-0.0867-0.9465 ( 5628 PWs) bands (ev): -44.7119 -44.7119 -35.6515 -35.6515 -16.7634 -16.7634 -16.7051 -16.7051 -16.5876 -16.5876 -16.5795 -16.5795 -15.3290 -15.3290 -15.2298 -15.2298 -5.1448 -5.1448 -4.9134 -4.9134 2.4988 2.4988 3.3912 3.3912 4.0734 4.0734 4.3526 4.3526 4.4386 4.4386 4.8911 4.8911 8.3873 8.3873 10.4282 10.4282 10.7199 10.7199 11.6801 11.6801 k = 0.5627-0.0654-0.9465 ( 5626 PWs) bands (ev): -44.7119 -44.7119 -35.6516 -35.6516 -16.7634 -16.7634 -16.7049 -16.7049 -16.5875 -16.5875 -16.5794 -16.5794 -15.3302 -15.3302 -15.2272 -15.2272 -5.1536 -5.1536 -4.9093 -4.9093 2.4697 2.4697 3.3880 3.3880 4.0902 4.0902 4.4068 4.4068 4.4537 4.4537 4.8881 4.8881 8.3203 8.3203 10.4579 10.4579 10.7585 10.7585 11.6496 11.6496 k = 0.5564-0.0442-0.9465 ( 5624 PWs) bands (ev): -44.7119 -44.7119 -35.6517 -35.6517 -16.7634 -16.7634 -16.7048 -16.7048 -16.5875 -16.5875 -16.5793 -16.5793 -15.3312 -15.3312 -15.2248 -15.2248 -5.1619 -5.1619 -4.9056 -4.9056 2.4431 2.4431 3.3847 3.3847 4.1081 4.1081 4.4191 4.4191 4.5074 4.5074 4.8833 4.8833 8.2568 8.2568 10.4916 10.4916 10.7932 10.7932 11.6081 11.6081 k = 0.5502-0.0229-0.9465 ( 5630 PWs) bands (ev): -44.7119 -44.7119 -35.6517 -35.6517 -16.7634 -16.7634 -16.7046 -16.7046 -16.5875 -16.5875 -16.5792 -16.5792 -15.3322 -15.3322 -15.2226 -15.2226 -5.1695 -5.1695 -4.9021 -4.9021 2.4191 2.4191 3.3816 3.3816 4.1266 4.1266 4.4191 4.4191 4.5692 4.5692 4.8771 4.8771 8.1972 8.1972 10.5295 10.5295 10.8234 10.8234 11.5560 11.5560 k = 0.5439-0.0016-0.9465 ( 5636 PWs) bands (ev): -44.7119 -44.7119 -35.6518 -35.6518 -16.7634 -16.7634 -16.7045 -16.7045 -16.5875 -16.5875 -16.5791 -16.5791 -15.3331 -15.3331 -15.2205 -15.2205 -5.1763 -5.1763 -4.8990 -4.8990 2.3977 2.3977 3.3787 3.3787 4.1453 4.1453 4.4175 4.4175 4.6275 4.6275 4.8701 4.8701 8.1423 8.1423 10.5718 10.5718 10.8490 10.8490 11.4951 11.4951 k = 0.5376 0.0197-0.9465 ( 5628 PWs) bands (ev): -44.7119 -44.7119 -35.6519 -35.6519 -16.7633 -16.7633 -16.7044 -16.7044 -16.5874 -16.5874 -16.5790 -16.5790 -15.3339 -15.3339 -15.2187 -15.2187 -5.1824 -5.1824 -4.8963 -4.8963 2.3791 2.3791 3.3760 3.3760 4.1635 4.1635 4.4155 4.4155 4.6797 4.6797 4.8633 4.8633 8.0927 8.0927 10.6184 10.6184 10.8696 10.8696 11.4278 11.4278 k = 0.5313 0.0409-0.9465 ( 5636 PWs) bands (ev): -44.7120 -44.7120 -35.6519 -35.6519 -16.7633 -16.7633 -16.7043 -16.7043 -16.5874 -16.5874 -16.5790 -16.5790 -15.3346 -15.3346 -15.2172 -15.2172 -5.1876 -5.1876 -4.8940 -4.8940 2.3633 2.3633 3.3736 3.3736 4.1806 4.1806 4.4135 4.4135 4.7236 4.7236 4.8583 4.8583 8.0490 8.0490 10.6692 10.6692 10.8856 10.8856 11.3563 11.3563 k = 0.5251 0.0622-0.9465 ( 5638 PWs) bands (ev): -44.7120 -44.7120 -35.6520 -35.6520 -16.7633 -16.7633 -16.7042 -16.7042 -16.5874 -16.5874 -16.5789 -16.5789 -15.3351 -15.3351 -15.2159 -15.2159 -5.1919 -5.1919 -4.8921 -4.8921 2.3503 2.3503 3.3716 3.3716 4.1960 4.1960 4.4118 4.4118 4.7566 4.7566 4.8574 4.8574 8.0121 8.0121 10.7240 10.7240 10.8975 10.8975 11.2824 11.2824 k = 0.5188 0.0835-0.9465 ( 5632 PWs) bands (ev): -44.7120 -44.7120 -35.6520 -35.6520 -16.7633 -16.7633 -16.7041 -16.7041 -16.5874 -16.5874 -16.5789 -16.5789 -15.3356 -15.3356 -15.2149 -15.2149 -5.1953 -5.1953 -4.8906 -4.8906 2.3401 2.3401 3.3700 3.3700 4.2088 4.2088 4.4105 4.4105 4.7763 4.7763 4.8627 4.8627 7.9825 7.9825 10.7824 10.7824 10.9058 10.9058 11.2079 11.2079 k = 0.5125 0.1048-0.9465 ( 5634 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7633 -16.7633 -16.7041 -16.7041 -16.5874 -16.5874 -16.5788 -16.5788 -15.3359 -15.3359 -15.2141 -15.2141 -5.1977 -5.1977 -4.8896 -4.8896 2.3329 2.3329 3.3689 3.3689 4.2186 4.2186 4.4095 4.4095 4.7846 4.7846 4.8722 4.8722 7.9609 7.9609 10.8433 10.8433 10.9118 10.9118 11.1342 11.1342 k = 0.5063 0.1261-0.9465 ( 5640 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7633 -16.7633 -16.7041 -16.7041 -16.5874 -16.5874 -16.5788 -16.5788 -15.3361 -15.3361 -15.2137 -15.2137 -5.1992 -5.1992 -4.8889 -4.8889 2.3285 2.3285 3.3681 3.3681 4.2247 4.2247 4.4089 4.4089 4.7870 4.7870 4.8805 4.8805 7.9477 7.9477 10.8977 10.8977 10.9235 10.9235 11.0637 11.0637 k = 0.5000 0.1473-0.9465 ( 5638 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7633 -16.7633 -16.7041 -16.7041 -16.5874 -16.5874 -16.5788 -16.5788 -15.3361 -15.3361 -15.2135 -15.2135 -5.1997 -5.1997 -4.8887 -4.8887 2.3270 2.3270 3.3679 3.3679 4.2268 4.2268 4.4087 4.4087 4.7874 4.7874 4.8837 4.8837 7.9433 7.9433 10.9086 10.9086 10.9586 10.9586 11.0160 11.0160 k = 0.5000 0.1473-0.9465 ( 5638 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7633 -16.7633 -16.7041 -16.7041 -16.5874 -16.5874 -16.5788 -16.5788 -15.3361 -15.3361 -15.2135 -15.2135 -5.1997 -5.1997 -4.8887 -4.8887 2.3270 2.3270 3.3679 3.3679 4.2268 4.2268 4.4087 4.4087 4.7874 4.7874 4.8837 4.8837 7.9433 7.9433 10.9086 10.9086 10.9586 10.9586 11.0160 11.0160 k = 0.5174 0.1525-0.9365 ( 5638 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7633 -16.7633 -16.7040 -16.7040 -16.5874 -16.5874 -16.5788 -16.5788 -15.3361 -15.3361 -15.2135 -15.2135 -5.1999 -5.1999 -4.8886 -4.8886 2.3279 2.3279 3.3676 3.3676 4.2265 4.2265 4.4078 4.4078 4.7871 4.7871 4.8838 4.8838 7.9445 7.9445 10.8979 10.8979 10.9707 10.9707 11.0162 11.0162 k = 0.5348 0.1576-0.9265 ( 5633 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7633 -16.7633 -16.7040 -16.7040 -16.5874 -16.5874 -16.5788 -16.5788 -15.3361 -15.3361 -15.2135 -15.2135 -5.2003 -5.2003 -4.8883 -4.8883 2.3304 2.3304 3.3667 3.3667 4.2257 4.2257 4.4053 4.4053 4.7861 4.7861 4.8842 4.8842 7.9483 7.9483 10.8782 10.8782 10.9930 10.9930 11.0185 11.0185 k = 0.5522 0.1627-0.9165 ( 5629 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7633 -16.7633 -16.7039 -16.7039 -16.5874 -16.5874 -16.5788 -16.5788 -15.3360 -15.3360 -15.2135 -15.2135 -5.2011 -5.2011 -4.8879 -4.8879 2.3346 2.3346 3.3652 3.3652 4.2243 4.2243 4.4009 4.4009 4.7844 4.7844 4.8848 4.8848 7.9545 7.9545 10.8580 10.8580 11.0065 11.0065 11.0335 11.0335 k = 0.5697 0.1679-0.9065 ( 5634 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7633 -16.7633 -16.7038 -16.7038 -16.5874 -16.5874 -16.5788 -16.5788 -15.3359 -15.3359 -15.2135 -15.2135 -5.2022 -5.2022 -4.8872 -4.8872 2.3404 2.3404 3.3632 3.3632 4.2225 4.2225 4.3949 4.3949 4.7819 4.7819 4.8859 4.8859 7.9632 7.9632 10.8389 10.8389 11.0080 11.0080 11.0625 11.0625 k = 0.5871 0.1730-0.8965 ( 5630 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7633 -16.7633 -16.7037 -16.7037 -16.5875 -16.5875 -16.5788 -16.5788 -15.3358 -15.3358 -15.2135 -15.2135 -5.2036 -5.2036 -4.8865 -4.8865 2.3479 2.3479 3.3607 3.3607 4.2202 4.2202 4.3871 4.3871 4.7785 4.7785 4.8875 4.8875 7.9741 7.9741 10.8216 10.8216 11.0069 11.0069 11.0953 11.0953 k = 0.6045 0.1781-0.8865 ( 5633 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7632 -16.7632 -16.7035 -16.7035 -16.5875 -16.5875 -16.5789 -16.5789 -15.3357 -15.3357 -15.2135 -15.2135 -5.2052 -5.2052 -4.8857 -4.8857 2.3569 2.3569 3.3578 3.3578 4.2174 4.2174 4.3776 4.3776 4.7743 4.7743 4.8896 4.8896 7.9873 7.9873 10.8063 10.8063 11.0049 11.0049 11.1299 11.1299 k = 0.6219 0.1832-0.8765 ( 5638 PWs) bands (ev): -44.7120 -44.7120 -35.6522 -35.6522 -16.7632 -16.7632 -16.7033 -16.7033 -16.5876 -16.5876 -16.5789 -16.5789 -15.3355 -15.3355 -15.2135 -15.2135 -5.2071 -5.2071 -4.8848 -4.8848 2.3675 2.3675 3.3545 3.3545 4.2143 4.2143 4.3664 4.3664 4.7692 4.7692 4.8924 4.8924 8.0026 8.0026 10.7930 10.7930 11.0024 11.0024 11.1657 11.1657 k = 0.6393 0.1884-0.8665 ( 5621 PWs) bands (ev): -44.7120 -44.7120 -35.6522 -35.6522 -16.7632 -16.7632 -16.7030 -16.7030 -16.5876 -16.5876 -16.5789 -16.5789 -15.3353 -15.3353 -15.2135 -15.2135 -5.2091 -5.2091 -4.8838 -4.8838 2.3797 2.3797 3.3509 3.3509 4.2108 4.2108 4.3535 4.3535 4.7633 4.7633 4.8957 4.8957 8.0199 8.0199 10.7818 10.7818 10.9994 10.9994 11.2024 11.2024 k = 0.6567 0.1935-0.8565 ( 5621 PWs) bands (ev): -44.7120 -44.7120 -35.6522 -35.6522 -16.7631 -16.7631 -16.7028 -16.7028 -16.5877 -16.5877 -16.5789 -16.5789 -15.3350 -15.3350 -15.2135 -15.2135 -5.2112 -5.2112 -4.8829 -4.8829 2.3932 2.3932 3.3472 3.3472 4.2070 4.2070 4.3389 4.3389 4.7567 4.7567 4.8997 4.8997 8.0389 8.0389 10.7727 10.7727 10.9959 10.9959 11.2397 11.2397 k = 0.6567 0.1935-0.8565 ( 5621 PWs) bands (ev): -44.7120 -44.7120 -35.6522 -35.6522 -16.7631 -16.7631 -16.7028 -16.7028 -16.5877 -16.5877 -16.5789 -16.5789 -15.3350 -15.3350 -15.2135 -15.2135 -5.2112 -5.2112 -4.8829 -4.8829 2.3932 2.3932 3.3472 3.3472 4.2070 4.2070 4.3389 4.3389 4.7567 4.7567 4.8997 4.8997 8.0389 8.0389 10.7727 10.7727 10.9959 10.9959 11.2397 11.2397 k = 0.6532 0.1925-0.8350 ( 5614 PWs) bands (ev): -44.7120 -44.7120 -35.6523 -35.6523 -16.7631 -16.7631 -16.7022 -16.7022 -16.5876 -16.5876 -16.5789 -16.5789 -15.3340 -15.3340 -15.2135 -15.2135 -5.2126 -5.2126 -4.8870 -4.8870 2.4040 2.4040 3.3316 3.3316 4.2105 4.2105 4.3513 4.3513 4.7691 4.7691 4.9004 4.9004 8.0340 8.0340 10.7235 10.7235 10.9813 10.9813 11.2697 11.2697 k = 0.6496 0.1914-0.8134 ( 5618 PWs) bands (ev): -44.7120 -44.7120 -35.6524 -35.6524 -16.7630 -16.7630 -16.7016 -16.7016 -16.5874 -16.5874 -16.5789 -16.5789 -15.3327 -15.3327 -15.2134 -15.2134 -5.2140 -5.2140 -4.8930 -4.8930 2.4192 2.4192 3.3157 3.3157 4.2144 4.2144 4.3616 4.3616 4.7826 4.7826 4.9020 4.9020 8.0317 8.0317 10.6748 10.6748 10.9618 10.9618 11.2925 11.2925 k = 0.6460 0.1904-0.7919 ( 5617 PWs) bands (ev): -44.7120 -44.7120 -35.6526 -35.6526 -16.7629 -16.7629 -16.7007 -16.7007 -16.5873 -16.5873 -16.5789 -16.5789 -15.3311 -15.3311 -15.2134 -15.2134 -5.2153 -5.2153 -4.9006 -4.9006 2.4384 2.4384 3.3002 3.3002 4.2185 4.2185 4.3694 4.3694 4.7970 4.7970 4.9047 4.9047 8.0322 8.0322 10.6269 10.6269 10.9378 10.9378 11.3075 11.3075 k = 0.6425 0.1893-0.7704 ( 5624 PWs) bands (ev): -44.7120 -44.7120 -35.6528 -35.6528 -16.7629 -16.7629 -16.6997 -16.6997 -16.5872 -16.5872 -16.5789 -16.5789 -15.3292 -15.3292 -15.2133 -15.2133 -5.2167 -5.2167 -4.9100 -4.9100 2.4616 2.4616 3.2853 3.2853 4.2230 4.2230 4.3745 4.3745 4.8120 4.8120 4.9089 4.9089 8.0355 8.0355 10.5802 10.5802 10.9097 10.9097 11.3142 11.3142 k = 0.6389 0.1883-0.7489 ( 5625 PWs) bands (ev): -44.7120 -44.7120 -35.6530 -35.6530 -16.7628 -16.7628 -16.6986 -16.6986 -16.5870 -16.5870 -16.5789 -16.5789 -15.3270 -15.3270 -15.2131 -15.2131 -5.2180 -5.2180 -4.9209 -4.9209 2.4886 2.4886 3.2714 3.2714 4.2276 4.2276 4.3765 4.3765 4.8272 4.8272 4.9150 4.9150 8.0415 8.0415 10.5350 10.5350 10.8776 10.8776 11.3120 11.3120 k = 0.6354 0.1872-0.7274 ( 5624 PWs) bands (ev): -44.7120 -44.7120 -35.6533 -35.6533 -16.7626 -16.7626 -16.6973 -16.6973 -16.5868 -16.5868 -16.5790 -16.5790 -15.3246 -15.3246 -15.2130 -15.2130 -5.2196 -5.2196 -4.9331 -4.9331 2.5189 2.5189 3.2590 3.2590 4.2323 4.2323 4.3754 4.3754 4.8420 4.8420 4.9237 4.9237 8.0505 8.0505 10.4915 10.4915 10.8422 10.8422 11.3005 11.3005 k = 0.6318 0.1862-0.7059 ( 5634 PWs) bands (ev): -44.7120 -44.7120 -35.6536 -35.6536 -16.7625 -16.7625 -16.6959 -16.6959 -16.5866 -16.5866 -16.5790 -16.5790 -15.3219 -15.3219 -15.2127 -15.2127 -5.2213 -5.2213 -4.9467 -4.9467 2.5523 2.5523 3.2484 3.2484 4.2369 4.2369 4.3713 4.3713 4.8558 4.8558 4.9354 4.9354 8.0622 8.0622 10.4499 10.4499 10.8036 10.8036 11.2795 11.2795 k = 0.6282 0.1851-0.6844 ( 5639 PWs) bands (ev): -44.7120 -44.7120 -35.6539 -35.6539 -16.7624 -16.7624 -16.6944 -16.6944 -16.5863 -16.5863 -16.5790 -16.5790 -15.3191 -15.3191 -15.2125 -15.2125 -5.2233 -5.2233 -4.9613 -4.9613 2.5884 2.5884 3.2400 3.2400 4.2414 4.2414 4.3643 4.3643 4.8683 4.8683 4.9502 4.9502 8.0768 8.0768 10.4101 10.4101 10.7624 10.7624 11.2491 11.2491 k = 0.6247 0.1841-0.6629 ( 5633 PWs) bands (ev): -44.7120 -44.7120 -35.6542 -35.6542 -16.7622 -16.7622 -16.6928 -16.6928 -16.5861 -16.5861 -16.5790 -16.5790 -15.3160 -15.3160 -15.2121 -15.2121 -5.2258 -5.2258 -4.9767 -4.9767 2.6267 2.6267 3.2343 3.2343 4.2456 4.2456 4.3548 4.3548 4.8796 4.8796 4.9678 4.9678 8.0942 8.0942 10.3723 10.3723 10.7189 10.7189 11.2101 11.2101 k = 0.6211 0.1830-0.6414 ( 5624 PWs) bands (ev): -44.7120 -44.7120 -35.6545 -35.6545 -16.7621 -16.7621 -16.6910 -16.6910 -16.5857 -16.5857 -16.5790 -16.5790 -15.3127 -15.3127 -15.2117 -15.2117 -5.2288 -5.2288 -4.9927 -4.9927 2.6666 2.6666 3.2316 3.2316 4.2492 4.2492 4.3432 4.3432 4.8903 4.8903 4.9873 4.9873 8.1144 8.1144 10.3366 10.3366 10.6734 10.6734 11.1637 11.1637 k = 0.6175 0.1820-0.6199 ( 5622 PWs) bands (ev): -44.7121 -44.7121 -35.6549 -35.6549 -16.7619 -16.7619 -16.6892 -16.6892 -16.5854 -16.5854 -16.5790 -16.5790 -15.3093 -15.3093 -15.2112 -15.2112 -5.2327 -5.2327 -5.0089 -5.0089 2.7075 2.7075 3.2323 3.2323 4.2523 4.2523 4.3303 4.3303 4.9010 4.9010 5.0078 5.0078 8.1373 8.1373 10.3030 10.3030 10.6262 10.6262 11.1115 11.1115 k = 0.6140 0.1809-0.5983 ( 5620 PWs) bands (ev): -44.7121 -44.7121 -35.6553 -35.6553 -16.7617 -16.7617 -16.6873 -16.6873 -16.5851 -16.5851 -16.5790 -16.5790 -15.3057 -15.3057 -15.2106 -15.2106 -5.2377 -5.2377 -5.0251 -5.0251 2.7487 2.7487 3.2368 3.2368 4.2544 4.2544 4.3167 4.3167 4.9121 4.9121 5.0283 5.0283 8.1629 8.1629 10.2715 10.2715 10.5775 10.5775 11.0549 11.0549 k = 0.6104 0.1799-0.5768 ( 5611 PWs) bands (ev): -44.7121 -44.7121 -35.6557 -35.6557 -16.7615 -16.7615 -16.6853 -16.6853 -16.5847 -16.5847 -16.5790 -16.5790 -15.3021 -15.3021 -15.2098 -15.2098 -5.2439 -5.2439 -5.0408 -5.0408 2.7895 2.7895 3.2454 3.2454 4.2553 4.2553 4.3035 4.3035 4.9241 4.9241 5.0483 5.0483 8.1911 8.1911 10.2420 10.2420 10.5277 10.5277 10.9955 10.9955 k = 0.6069 0.1788-0.5553 ( 5617 PWs) bands (ev): -44.7121 -44.7121 -35.6561 -35.6561 -16.7613 -16.7613 -16.6832 -16.6832 -16.5844 -16.5844 -16.5790 -16.5790 -15.2984 -15.2984 -15.2089 -15.2089 -5.2519 -5.2519 -5.0555 -5.0555 2.8290 2.8290 3.2583 3.2583 4.2545 4.2545 4.2918 4.2918 4.9373 4.9373 5.0670 5.0670 8.2217 8.2217 10.2146 10.2146 10.4768 10.4768 10.9348 10.9348 k = 0.6033 0.1778-0.5338 ( 5626 PWs) bands (ev): -44.7121 -44.7121 -35.6565 -35.6565 -16.7611 -16.7611 -16.6810 -16.6810 -16.5841 -16.5841 -16.5791 -16.5791 -15.2947 -15.2947 -15.2079 -15.2079 -5.2618 -5.2618 -5.0689 -5.0689 2.8668 2.8668 3.2753 3.2753 4.2517 4.2517 4.2828 4.2828 4.9516 4.9516 5.0840 5.0840 8.2548 8.2548 10.1893 10.1893 10.4251 10.4251 10.8738 10.8738 k = 0.5997 0.1767-0.5123 ( 5623 PWs) bands (ev): -44.7121 -44.7121 -35.6570 -35.6570 -16.7609 -16.7609 -16.6789 -16.6789 -16.5837 -16.5837 -16.5791 -16.5791 -15.2910 -15.2910 -15.2067 -15.2067 -5.2738 -5.2738 -5.0808 -5.0808 2.9025 2.9025 3.2960 3.2960 4.2476 4.2476 4.2769 4.2769 4.9673 4.9673 5.0988 5.0988 8.2902 8.2902 10.1659 10.1659 10.3727 10.3727 10.8136 10.8136 k = 0.5962 0.1757-0.4908 ( 5623 PWs) bands (ev): -44.7122 -44.7122 -35.6574 -35.6574 -16.7607 -16.7607 -16.6767 -16.6767 -16.5833 -16.5833 -16.5791 -16.5791 -15.2874 -15.2874 -15.2052 -15.2052 -5.2880 -5.2880 -5.0908 -5.0908 2.9359 2.9359 3.3193 3.3193 4.2441 4.2441 4.2734 4.2734 4.9843 4.9843 5.1111 5.1111 8.3277 8.3277 10.1445 10.1445 10.3198 10.3198 10.7551 10.7551 k = 0.5926 0.1746-0.4693 ( 5624 PWs) bands (ev): -44.7122 -44.7122 -35.6579 -35.6579 -16.7605 -16.7605 -16.6744 -16.6744 -16.5830 -16.5830 -16.5791 -16.5791 -15.2838 -15.2838 -15.2036 -15.2036 -5.3042 -5.3042 -5.0990 -5.0990 2.9674 2.9674 3.3439 3.3439 4.2432 4.2432 4.2715 4.2715 5.0025 5.0025 5.1206 5.1206 8.3671 8.3671 10.1247 10.1247 10.2665 10.2665 10.6989 10.6989 k = 0.5891 0.1736-0.4478 ( 5622 PWs) bands (ev): -44.7122 -44.7122 -35.6584 -35.6584 -16.7603 -16.7603 -16.6722 -16.6722 -16.5826 -16.5826 -16.5791 -16.5791 -15.2804 -15.2804 -15.2017 -15.2017 -5.3224 -5.3224 -5.1055 -5.1055 2.9975 2.9975 3.3679 3.3679 4.2451 4.2451 4.2724 4.2724 5.0217 5.0217 5.1272 5.1272 8.4082 8.4082 10.1064 10.1064 10.2131 10.2131 10.6458 10.6458 k = 0.5855 0.1725-0.4263 ( 5619 PWs) bands (ev): -44.7122 -44.7122 -35.6588 -35.6588 -16.7601 -16.7601 -16.6699 -16.6699 -16.5822 -16.5822 -16.5792 -16.5792 -15.2772 -15.2772 -15.1995 -15.1995 -5.3421 -5.3421 -5.1106 -5.1106 3.0267 3.0267 3.3896 3.3896 4.2468 4.2468 4.2805 4.2805 5.0414 5.0414 5.1310 5.1310 8.4508 8.4508 10.0886 10.0886 10.1603 10.1603 10.5965 10.5965 k = 0.5819 0.1715-0.4047 ( 5613 PWs) bands (ev): -44.7122 -44.7122 -35.6593 -35.6593 -16.7598 -16.7598 -16.6676 -16.6676 -16.5819 -16.5819 -16.5791 -16.5791 -15.2742 -15.2742 -15.1971 -15.1971 -5.3630 -5.3630 -5.1144 -5.1144 3.0556 3.0556 3.4075 3.4075 4.2453 4.2453 4.2996 4.2996 5.0604 5.0604 5.1330 5.1330 8.4947 8.4947 10.0682 10.0682 10.1110 10.1110 10.5516 10.5516 k = 0.5784 0.1704-0.3832 ( 5615 PWs) bands (ev): -44.7122 -44.7122 -35.6598 -35.6598 -16.7596 -16.7596 -16.6654 -16.6654 -16.5815 -16.5815 -16.5791 -16.5791 -15.2714 -15.2714 -15.1944 -15.1944 -5.3847 -5.3847 -5.1172 -5.1172 3.0848 3.0848 3.4204 3.4204 4.2414 4.2414 4.3297 4.3297 5.0757 5.0757 5.1360 5.1360 8.5394 8.5394 10.0342 10.0342 10.0756 10.0756 10.5120 10.5120 k = 0.5748 0.1694-0.3617 ( 5619 PWs) bands (ev): -44.7123 -44.7123 -35.6603 -35.6603 -16.7594 -16.7594 -16.6632 -16.6632 -16.5812 -16.5812 -16.5791 -16.5791 -15.2688 -15.2688 -15.1915 -15.1915 -5.4070 -5.4070 -5.1192 -5.1192 3.1147 3.1147 3.4279 3.4279 4.2362 4.2362 4.3696 4.3696 5.0815 5.0815 5.1454 5.1454 8.5847 8.5847 9.9851 9.9851 10.0549 10.0549 10.4788 10.4788 k = 0.5712 0.1683-0.3402 ( 5625 PWs) bands (ev): -44.7123 -44.7123 -35.6607 -35.6607 -16.7593 -16.7593 -16.6610 -16.6610 -16.5810 -16.5810 -16.5791 -16.5791 -15.2665 -15.2665 -15.1884 -15.1884 -5.4295 -5.4295 -5.1205 -5.1205 3.1456 3.1456 3.4302 3.4302 4.2301 4.2301 4.4184 4.4184 5.0755 5.0755 5.1634 5.1634 8.6304 8.6304 9.9321 9.9321 10.0368 10.0368 10.4531 10.4531 k = 0.5677 0.1673-0.3187 ( 5623 PWs) bands (ev): -44.7123 -44.7123 -35.6612 -35.6612 -16.7591 -16.7591 -16.6589 -16.6589 -16.5808 -16.5808 -16.5790 -16.5790 -15.2644 -15.2644 -15.1851 -15.1851 -5.4521 -5.4521 -5.1214 -5.1214 3.1778 3.1778 3.4277 3.4277 4.2234 4.2234 4.4749 4.4749 5.0609 5.0609 5.1866 5.1866 8.6760 8.6760 9.8783 9.8783 10.0171 10.0171 10.4362 10.4362 k = 0.5641 0.1662-0.2972 ( 5625 PWs) bands (ev): -44.7123 -44.7123 -35.6616 -35.6616 -16.7589 -16.7589 -16.6568 -16.6568 -16.5806 -16.5806 -16.5789 -16.5789 -15.2626 -15.2626 -15.1816 -15.1816 -5.4744 -5.4744 -5.1219 -5.1219 3.2114 3.2114 3.4215 3.4215 4.2162 4.2162 4.5378 4.5378 5.0404 5.0404 5.2123 5.2123 8.7212 8.7212 9.8245 9.8245 9.9940 9.9940 10.4292 10.4292 k = 0.5606 0.1652-0.2757 ( 5632 PWs) bands (ev): -44.7124 -44.7124 -35.6621 -35.6621 -16.7587 -16.7587 -16.6548 -16.6548 -16.5805 -16.5805 -16.5788 -16.5788 -15.2610 -15.2610 -15.1779 -15.1779 -5.4964 -5.4964 -5.1221 -5.1221 3.2461 3.2461 3.4126 3.4126 4.2088 4.2088 4.6059 4.6059 5.0150 5.0150 5.2392 5.2392 8.7659 8.7659 9.7711 9.7711 9.9667 9.9667 10.4326 10.4326 k = 0.5570 0.1641-0.2542 ( 5627 PWs) bands (ev): -44.7124 -44.7124 -35.6625 -35.6625 -16.7585 -16.7585 -16.6528 -16.6528 -16.5804 -16.5804 -16.5785 -16.5785 -15.2596 -15.2596 -15.1742 -15.1742 -5.5179 -5.5179 -5.1221 -5.1221 3.2814 3.2814 3.4026 3.4026 4.2012 4.2012 4.6776 4.6776 4.9854 4.9854 5.2668 5.2668 8.8097 8.8097 9.7185 9.7185 9.9351 9.9351 10.4464 10.4464 k = 0.5534 0.1631-0.2327 ( 5626 PWs) bands (ev): -44.7124 -44.7124 -35.6629 -35.6629 -16.7583 -16.7583 -16.6509 -16.6509 -16.5804 -16.5804 -16.5783 -16.5783 -15.2583 -15.2583 -15.1705 -15.1705 -5.5387 -5.5387 -5.1220 -5.1220 3.3145 3.3145 3.3951 3.3951 4.1935 4.1935 4.7515 4.7515 4.9523 4.9523 5.2947 5.2947 8.8523 8.8523 9.6669 9.6669 9.8995 9.8995 10.4701 10.4701 k = 0.5499 0.1620-0.2112 ( 5628 PWs) bands (ev): -44.7124 -44.7124 -35.6633 -35.6633 -16.7582 -16.7582 -16.6491 -16.6491 -16.5804 -16.5804 -16.5781 -16.5781 -15.2572 -15.2572 -15.1668 -15.1668 -5.5587 -5.5587 -5.1217 -5.1217 3.3353 3.3353 3.4008 3.4008 4.1859 4.1859 4.8241 4.8241 4.9184 4.9184 5.3226 5.3226 8.8937 8.8937 9.6166 9.6166 9.8605 9.8605 10.5027 10.5027 k = 0.5463 0.1610-0.1896 ( 5630 PWs) bands (ev): -44.7124 -44.7124 -35.6637 -35.6637 -16.7580 -16.7580 -16.6474 -16.6474 -16.5804 -16.5804 -16.5779 -16.5779 -15.2563 -15.2563 -15.1631 -15.1631 -5.5778 -5.5778 -5.1213 -5.1213 3.3345 3.3345 3.4297 3.4297 4.1784 4.1784 4.8575 4.8575 4.9207 4.9207 5.3502 5.3502 8.9337 8.9337 9.5679 9.5679 9.8190 9.8190 10.5435 10.5435 k = 0.5427 0.1599-0.1681 ( 5630 PWs) bands (ev): -44.7124 -44.7124 -35.6640 -35.6640 -16.7579 -16.7579 -16.6458 -16.6458 -16.5804 -16.5804 -16.5776 -16.5776 -15.2555 -15.2555 -15.1596 -15.1596 -5.5958 -5.5958 -5.1209 -5.1209 3.3236 3.3236 3.4705 3.4705 4.1711 4.1711 4.8212 4.8212 4.9890 4.9890 5.3772 5.3772 8.9720 8.9720 9.5211 9.5211 9.7756 9.7756 10.5914 10.5914 k = 0.5392 0.1589-0.1466 ( 5630 PWs) bands (ev): -44.7124 -44.7124 -35.6643 -35.6643 -16.7577 -16.7577 -16.6443 -16.6443 -16.5805 -16.5805 -16.5774 -16.5774 -15.2548 -15.2548 -15.1562 -15.1562 -5.6128 -5.6128 -5.1205 -5.1205 3.3101 3.3101 3.5161 3.5161 4.1640 4.1640 4.7752 4.7752 5.0628 5.0628 5.4034 5.4034 9.0086 9.0086 9.4766 9.4766 9.7313 9.7313 10.6456 10.6456 k = 0.5356 0.1578-0.1251 ( 5627 PWs) bands (ev): -44.7125 -44.7125 -35.6646 -35.6646 -16.7576 -16.7576 -16.6429 -16.6429 -16.5805 -16.5805 -16.5772 -16.5772 -15.2542 -15.2542 -15.1529 -15.1529 -5.6285 -5.6285 -5.1200 -5.1200 3.2961 3.2961 3.5646 3.5646 4.1573 4.1573 4.7255 4.7255 5.1351 5.1351 5.4286 5.4286 9.0431 9.0431 9.4345 9.4345 9.6868 9.6868 10.7052 10.7052 k = 0.5321 0.1568-0.1036 ( 5630 PWs) bands (ev): -44.7125 -44.7125 -35.6649 -35.6649 -16.7575 -16.7575 -16.6416 -16.6416 -16.5806 -16.5806 -16.5770 -16.5770 -15.2537 -15.2537 -15.1499 -15.1499 -5.6429 -5.6429 -5.1196 -5.1196 3.2825 3.2825 3.6154 3.6154 4.1511 4.1511 4.6732 4.6732 5.2044 5.2044 5.4527 5.4527 9.0754 9.0754 9.3952 9.3952 9.6432 9.6432 10.7692 10.7692 k = 0.5285 0.1557-0.0821 ( 5629 PWs) bands (ev): -44.7125 -44.7125 -35.6652 -35.6652 -16.7574 -16.7574 -16.6405 -16.6405 -16.5806 -16.5806 -16.5768 -16.5768 -15.2533 -15.2533 -15.1471 -15.1471 -5.6561 -5.6561 -5.1192 -5.1192 3.2697 3.2697 3.6680 3.6680 4.1453 4.1453 4.6186 4.6186 5.2695 5.2695 5.4754 5.4754 9.1051 9.1051 9.3591 9.3591 9.6013 9.6013 10.8368 10.8368 k = 0.5249 0.1547-0.0606 ( 5633 PWs) bands (ev): -44.7125 -44.7125 -35.6654 -35.6654 -16.7573 -16.7573 -16.6394 -16.6394 -16.5807 -16.5807 -16.5767 -16.5767 -15.2529 -15.2529 -15.1445 -15.1445 -5.6678 -5.6678 -5.1188 -5.1188 3.2580 3.2580 3.7224 3.7224 4.1401 4.1401 4.5621 4.5621 5.3292 5.3292 5.4967 5.4967 9.1319 9.1319 9.3264 9.3264 9.5621 9.5621 10.9072 10.9072 k = 0.5214 0.1536-0.0391 ( 5635 PWs) bands (ev): -44.7125 -44.7125 -35.6656 -35.6656 -16.7572 -16.7572 -16.6385 -16.6385 -16.5807 -16.5807 -16.5766 -16.5766 -15.2526 -15.2526 -15.1423 -15.1423 -5.6780 -5.6780 -5.1184 -5.1184 3.2475 3.2475 3.7782 3.7782 4.1355 4.1355 4.5041 4.5041 5.3824 5.3824 5.5166 5.5166 9.1553 9.1553 9.2974 9.2974 9.5267 9.5267 10.9794 10.9794 k = 0.5178 0.1526-0.0176 ( 5640 PWs) bands (ev): -44.7125 -44.7125 -35.6658 -35.6658 -16.7571 -16.7571 -16.6378 -16.6378 -16.5808 -16.5808 -16.5765 -16.5765 -15.2524 -15.2524 -15.1404 -15.1404 -5.6868 -5.6868 -5.1181 -5.1181 3.2385 3.2385 3.8354 3.8354 4.1315 4.1315 4.4448 4.4448 5.4278 5.4278 5.5352 5.5352 9.1748 9.1748 9.2724 9.2724 9.4960 9.4960 11.0525 11.0525 k = 0.5142 0.1515 0.0039 ( 5640 PWs) bands (ev): -44.7125 -44.7125 -35.6659 -35.6659 -16.7571 -16.7571 -16.6371 -16.6371 -16.5808 -16.5808 -16.5764 -16.5764 -15.2522 -15.2522 -15.1388 -15.1388 -5.6940 -5.6940 -5.1179 -5.1179 3.2309 3.2309 3.8938 3.8938 4.1283 4.1283 4.3846 4.3846 5.4643 5.4643 5.5527 5.5527 9.1902 9.1902 9.2516 9.2516 9.4708 9.4708 11.1254 11.1254 k = 0.5107 0.1505 0.0255 ( 5634 PWs) bands (ev): -44.7125 -44.7125 -35.6660 -35.6660 -16.7570 -16.7570 -16.6366 -16.6366 -16.5808 -16.5808 -16.5763 -16.5763 -15.2520 -15.2520 -15.1375 -15.1375 -5.6997 -5.6997 -5.1177 -5.1177 3.2250 3.2250 3.9529 3.9529 4.1258 4.1258 4.3238 4.3238 5.4913 5.4913 5.5687 5.5687 9.2014 9.2014 9.2352 9.2352 9.4516 9.4516 11.1964 11.1964 k = 0.5071 0.1494 0.0470 ( 5632 PWs) bands (ev): -44.7125 -44.7125 -35.6661 -35.6661 -16.7570 -16.7570 -16.6363 -16.6363 -16.5808 -16.5808 -16.5762 -16.5762 -15.2519 -15.2519 -15.1366 -15.1366 -5.7037 -5.7037 -5.1175 -5.1175 3.2207 3.2207 4.0125 4.0125 4.1242 4.1242 4.2628 4.2628 5.5092 5.5092 5.5822 5.5822 9.2085 9.2085 9.2234 9.2234 9.4384 9.4384 11.2624 11.2624 k = 0.5036 0.1484 0.0685 ( 5637 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7570 -16.7570 -16.6360 -16.6360 -16.5809 -16.5809 -16.5762 -16.5762 -15.2519 -15.2519 -15.1360 -15.1360 -5.7061 -5.7061 -5.1174 -5.1174 3.2181 3.2181 4.0708 4.0708 4.1245 4.1245 4.2023 4.2023 5.5191 5.5191 5.5912 5.5912 9.2122 9.2122 9.2165 9.2165 9.4308 9.4308 11.3159 11.3159 k = 0.5000 0.1473 0.0900 ( 5642 PWs) bands (ev): -44.7125 -44.7125 -35.6662 -35.6662 -16.7570 -16.7570 -16.6360 -16.6360 -16.5809 -16.5809 -16.5762 -16.5762 -15.2519 -15.2519 -15.1359 -15.1359 -5.7070 -5.7070 -5.1174 -5.1174 3.2172 3.2172 4.1059 4.1059 4.1386 4.1386 4.1526 4.1526 5.5223 5.5223 5.5944 5.5944 9.2126 9.2126 9.2149 9.2149 9.4284 9.4284 11.3389 11.3389 k = 0.5000-0.7748-0.4732 ( 5636 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7630 -16.7630 -16.7012 -16.7012 -16.5894 -16.5894 -16.5795 -16.5795 -15.3366 -15.3366 -15.2137 -15.2137 -5.2270 -5.2270 -4.8611 -4.8611 2.6097 2.6097 3.5107 3.5107 3.8267 3.8267 4.1376 4.1376 4.5600 4.5600 4.9839 4.9839 8.4217 8.4217 10.9180 10.9180 10.9999 10.9999 11.8781 11.8781 k = 0.5184-0.7661-0.4679 ( 5629 PWs) bands (ev): -44.7119 -44.7119 -35.6521 -35.6521 -16.7630 -16.7630 -16.7012 -16.7012 -16.5894 -16.5894 -16.5795 -16.5795 -15.3366 -15.3366 -15.2137 -15.2137 -5.2269 -5.2269 -4.8611 -4.8611 2.6082 2.6082 3.5081 3.5081 3.8314 3.8314 4.1379 4.1379 4.5609 4.5609 4.9834 4.9834 8.4197 8.4197 10.9176 10.9176 10.9999 10.9999 11.8703 11.8703 k = 0.5369-0.7574-0.4626 ( 5631 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7630 -16.7630 -16.7012 -16.7012 -16.5894 -16.5894 -16.5795 -16.5795 -15.3366 -15.3366 -15.2137 -15.2137 -5.2267 -5.2267 -4.8613 -4.8613 2.6040 2.6040 3.5007 3.5007 3.8451 3.8451 4.1390 4.1390 4.5637 4.5637 4.9821 4.9821 8.4136 8.4136 10.9163 10.9163 11.0000 11.0000 11.8483 11.8483 k = 0.5553-0.7488-0.4573 ( 5631 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7630 -16.7630 -16.7013 -16.7013 -16.5893 -16.5893 -16.5794 -16.5794 -15.3365 -15.3365 -15.2137 -15.2137 -5.2265 -5.2265 -4.8617 -4.8617 2.5972 2.5972 3.4897 3.4897 3.8663 3.8663 4.1407 4.1407 4.5683 4.5683 4.9799 4.9799 8.4036 8.4036 10.9141 10.9141 11.0002 11.0002 11.8156 11.8156 k = 0.5738-0.7401-0.4521 ( 5635 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7631 -16.7631 -16.7013 -16.7013 -16.5893 -16.5893 -16.5794 -16.5794 -15.3365 -15.3365 -15.2137 -15.2137 -5.2260 -5.2260 -4.8622 -4.8622 2.5879 2.5879 3.4765 3.4765 3.8934 3.8934 4.1431 4.1431 4.5747 4.5747 4.9768 4.9768 8.3898 8.3898 10.9110 10.9110 11.0005 11.0005 11.7756 11.7756 k = 0.5922-0.7314-0.4468 ( 5621 PWs) bands (ev): -44.7119 -44.7119 -35.6521 -35.6521 -16.7630 -16.7630 -16.7014 -16.7014 -16.5892 -16.5892 -16.5794 -16.5794 -15.3364 -15.3364 -15.2137 -15.2137 -5.2255 -5.2255 -4.8629 -4.8629 2.5764 2.5764 3.4624 3.4624 3.9248 3.9248 4.1462 4.1462 4.5828 4.5828 4.9730 4.9730 8.3725 8.3725 10.9070 10.9070 11.0008 11.0008 11.7309 11.7309 k = 0.6106-0.7228-0.4415 ( 5620 PWs) bands (ev): -44.7119 -44.7119 -35.6521 -35.6521 -16.7630 -16.7630 -16.7015 -16.7015 -16.5891 -16.5891 -16.5794 -16.5794 -15.3364 -15.3364 -15.2137 -15.2137 -5.2249 -5.2249 -4.8637 -4.8637 2.5630 2.5630 3.4480 3.4480 3.9593 3.9593 4.1499 4.1499 4.5925 4.5925 4.9684 4.9684 8.3520 8.3520 10.9018 10.9018 11.0011 11.0011 11.6834 11.6834 k = 0.6291-0.7141-0.4362 ( 5624 PWs) bands (ev): -44.7119 -44.7119 -35.6521 -35.6521 -16.7630 -16.7630 -16.7016 -16.7016 -16.5890 -16.5890 -16.5793 -16.5793 -15.3363 -15.3363 -15.2137 -15.2137 -5.2241 -5.2241 -4.8647 -4.8647 2.5481 2.5481 3.4341 3.4341 3.9958 3.9958 4.1542 4.1542 4.6037 4.6037 4.9631 4.9631 8.3286 8.3286 10.8956 10.8956 11.0014 11.0014 11.6346 11.6346 k = 0.6475-0.7054-0.4309 ( 5630 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7631 -16.7631 -16.7017 -16.7017 -16.5889 -16.5889 -16.5793 -16.5793 -15.3362 -15.3362 -15.2137 -15.2137 -5.2232 -5.2232 -4.8659 -4.8659 2.5322 2.5322 3.4208 3.4208 4.0334 4.0334 4.1592 4.1592 4.6164 4.6164 4.9573 4.9573 8.3026 8.3026 10.8882 10.8882 11.0018 11.0018 11.5856 11.5856 k = 0.6660-0.6968-0.4256 ( 5630 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7631 -16.7631 -16.7019 -16.7019 -16.5887 -16.5887 -16.5793 -16.5793 -15.3361 -15.3361 -15.2137 -15.2137 -5.2223 -5.2223 -4.8672 -4.8672 2.5154 2.5154 3.4085 3.4085 4.0712 4.0712 4.1650 4.1650 4.6303 4.6303 4.9510 4.9510 8.2747 8.2747 10.8796 10.8796 11.0020 11.0020 11.5372 11.5372 k = 0.6844-0.6881-0.4203 ( 5631 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7631 -16.7631 -16.7020 -16.7020 -16.5886 -16.5886 -16.5793 -16.5793 -15.3360 -15.3360 -15.2137 -15.2137 -5.2212 -5.2212 -4.8686 -4.8686 2.4983 2.4983 3.3972 3.3972 4.1081 4.1081 4.1720 4.1720 4.6452 4.6452 4.9443 4.9443 8.2451 8.2451 10.8698 10.8698 11.0021 11.0021 11.4902 11.4902 k = 0.7028-0.6794-0.4150 ( 5625 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7631 -16.7631 -16.7021 -16.7021 -16.5885 -16.5885 -16.5792 -16.5792 -15.3359 -15.3359 -15.2136 -15.2136 -5.2200 -5.2200 -4.8702 -4.8702 2.4811 2.4811 3.3869 3.3869 4.1418 4.1418 4.1816 4.1816 4.6611 4.6611 4.9373 4.9373 8.2144 8.2144 10.8587 10.8587 11.0021 11.0021 11.4452 11.4452 k = 0.7213-0.6708-0.4097 ( 5625 PWs) bands (ev): -44.7120 -44.7120 -35.6521 -35.6521 -16.7631 -16.7631 -16.7022 -16.7022 -16.5883 -16.5883 -16.5792 -16.5792 -15.3358 -15.3358 -15.2136 -15.2136 -5.2187 -5.2187 -4.8720 -4.8720 2.4642 2.4642 3.3777 3.3777 4.1663 4.1663 4.1997 4.1997 4.6775 4.6775 4.9303 4.9303 8.1833 8.1833 10.8465 10.8465 11.0018 11.0018 11.4027 11.4027 k = 0.7397-0.6621-0.4044 ( 5629 PWs) bands (ev): -44.7120 -44.7120 -35.6522 -35.6522 -16.7631 -16.7631 -16.7024 -16.7024 -16.5882 -16.5882 -16.5791 -16.5791 -15.3356 -15.3356 -15.2136 -15.2136 -5.2174 -5.2174 -4.8739 -4.8739 2.4479 2.4479 3.3696 3.3696 4.1790 4.1790 4.2278 4.2278 4.6943 4.6943 4.9233 4.9233 8.1521 8.1521 10.8331 10.8331 11.0013 11.0013 11.3631 11.3631 k = 0.7581-0.6534-0.3991 ( 5624 PWs) bands (ev): -44.7120 -44.7120 -35.6522 -35.6522 -16.7631 -16.7631 -16.7025 -16.7025 -16.5881 -16.5881 -16.5791 -16.5791 -15.3355 -15.3355 -15.2136 -15.2136 -5.2159 -5.2159 -4.8760 -4.8760 2.4324 2.4324 3.3625 3.3625 4.1874 4.1874 4.2583 4.2583 4.7110 4.7110 4.9166 4.9166 8.1215 8.1215 10.8188 10.8188 11.0005 11.0005 11.3268 11.3268 k = 0.7766-0.6448-0.3938 ( 5623 PWs) bands (ev): -44.7120 -44.7120 -35.6522 -35.6522 -16.7631 -16.7631 -16.7026 -16.7026 -16.5879 -16.5879 -16.5790 -16.5790 -15.3353 -15.3353 -15.2136 -15.2136 -5.2144 -5.2144 -4.8782 -4.8782 2.4180 2.4180 3.3564 3.3564 4.1945 4.1945 4.2877 4.2877 4.7272 4.7272 4.9103 4.9103 8.0921 8.0921 10.8038 10.8038 10.9993 10.9993 11.2941 11.2941 k = 0.7950-0.6361-0.3885 ( 5618 PWs) bands (ev): -44.7119 -44.7119 -35.6522 -35.6522 -16.7631 -16.7631 -16.7027 -16.7027 -16.5878 -16.5878 -16.5790 -16.5790 -15.3352 -15.3352 -15.2136 -15.2136 -5.2129 -5.2129 -4.8805 -4.8805 2.4049 2.4049 3.3513 3.3513 4.2010 4.2010 4.3147 4.3147 4.7426 4.7426 4.9046 4.9046 8.0644 8.0644 10.7883 10.7883 10.9978 10.9978 11.2650 11.2650 k = 0.8135-0.6274-0.3832 ( 5621 PWs) bands (ev): -44.7120 -44.7120 -35.6522 -35.6522 -16.7631 -16.7631 -16.7028 -16.7028 -16.5877 -16.5877 -16.5789 -16.5789 -15.3350 -15.3350 -15.2135 -15.2135 -5.2112 -5.2112 -4.8829 -4.8829 2.3932 2.3932 3.3472 3.3472 4.2070 4.2070 4.3389 4.3389 4.7567 4.7567 4.8997 4.8997 8.0389 8.0389 10.7727 10.7727 10.9959 10.9959 11.2397 11.2397 Writing output data file NaYS2.save init_run : 0.44s CPU 0.63s WALL ( 1 calls) electrons : 168.87s CPU 170.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 168.86s CPU 170.62s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 310 calls) cegterg : 148.43s CPU 149.62s WALL ( 340 calls) Called by sum_band: Called by *egterg: h_psi : 124.49s CPU 125.58s WALL ( 5871 calls) s_psi : 2.97s CPU 2.95s WALL ( 5871 calls) g_psi : 0.16s CPU 0.19s WALL ( 5221 calls) cdiaghg : 26.29s CPU 26.99s WALL ( 5531 calls) cegterg:over : 3.82s CPU 3.78s WALL ( 5221 calls) cegterg:upda : 3.83s CPU 3.70s WALL ( 5221 calls) cegterg:last : 1.92s CPU 1.87s WALL ( 960 calls) cdiaghg:chol : 1.48s CPU 1.58s WALL ( 5531 calls) cdiaghg:inve : 0.74s CPU 0.81s WALL ( 5531 calls) cdiaghg:para : 1.44s CPU 1.52s WALL ( 11062 calls) Called by h_psi: h_psi:vloc : 117.74s CPU 118.66s WALL ( 5871 calls) h_psi:vnl : 6.57s CPU 6.74s WALL ( 5871 calls) add_vuspsi : 3.27s CPU 3.41s WALL ( 5871 calls) General routines calbec : 3.28s CPU 3.32s WALL ( 5871 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 109.10s CPU 110.43s WALL ( 500884 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.19s WALL ( 620 calls) Parallel routines fft_scatter : 29.23s CPU 29.31s WALL ( 500907 calls) PWSCF : 3m 4.08s CPU 3m25.27s WALL This run was terminated on: 21: 3: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=