Program PWSCF v.5.1.1 starts on 11Oct2015 at 2: 5:25 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KNO3.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 21 6 1100 476 75 Max 37 22 7 1103 495 78 Sum 1733 1011 291 52869 23341 3697 bravais-lattice index = 14 lattice parameter (alat) = 8.3127 a.u. unit-cell volume = 537.0090 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.312738 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.222054 celldm(5)= 0.222054 celldm(6)= 0.222054 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.222054 0.975034 0.000000 ) a(3) = ( 0.222054 0.177169 0.958803 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.227740 -0.189513 ) b(2) = ( 0.000000 1.025605 -0.189513 ) b(3) = ( 0.000000 0.000000 1.042967 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 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 1165 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. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 295 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0131579 -0.0029966 -0.0024936), wk = 0.0033898 k( 3) = ( 0.0263158 -0.0059932 -0.0049872), wk = 0.0033898 k( 4) = ( 0.0394737 -0.0089897 -0.0074808), wk = 0.0033898 k( 5) = ( 0.0526316 -0.0119863 -0.0099744), wk = 0.0033898 k( 6) = ( 0.0657895 -0.0149829 -0.0124680), wk = 0.0033898 k( 7) = ( 0.0789474 -0.0179795 -0.0149616), wk = 0.0033898 k( 8) = ( 0.0921053 -0.0209760 -0.0174551), wk = 0.0033898 k( 9) = ( 0.1052632 -0.0239726 -0.0199487), wk = 0.0033898 k( 10) = ( 0.1184210 -0.0269692 -0.0224423), wk = 0.0033898 k( 11) = ( 0.1315790 -0.0299658 -0.0249359), wk = 0.0033898 k( 12) = ( 0.1447368 -0.0329623 -0.0274295), wk = 0.0033898 k( 13) = ( 0.1578947 -0.0359589 -0.0299231), wk = 0.0033898 k( 14) = ( 0.1710526 -0.0389555 -0.0324167), wk = 0.0033898 k( 15) = ( 0.1842105 -0.0419521 -0.0349103), wk = 0.0033898 k( 16) = ( 0.1973684 -0.0449486 -0.0374039), wk = 0.0033898 k( 17) = ( 0.2105263 -0.0479452 -0.0398975), wk = 0.0033898 k( 18) = ( 0.2236842 -0.0509418 -0.0423911), wk = 0.0033898 k( 19) = ( 0.2368421 -0.0539384 -0.0448847), wk = 0.0033898 k( 20) = ( 0.2500000 -0.0569350 -0.0473783), wk = 0.0033898 k( 21) = ( 0.2631579 -0.0599315 -0.0498719), wk = 0.0033898 k( 22) = ( 0.2763158 -0.0629281 -0.0523654), wk = 0.0033898 k( 23) = ( 0.2894737 -0.0659247 -0.0548590), wk = 0.0033898 k( 24) = ( 0.3026316 -0.0689213 -0.0573526), wk = 0.0033898 k( 25) = ( 0.3157895 -0.0719178 -0.0598462), wk = 0.0033898 k( 26) = ( 0.3289474 -0.0749144 -0.0623398), wk = 0.0033898 k( 27) = ( 0.3421053 -0.0779110 -0.0648334), wk = 0.0033898 k( 28) = ( 0.3552632 -0.0809076 -0.0673270), wk = 0.0033898 k( 29) = ( 0.3684211 -0.0839041 -0.0698206), wk = 0.0033898 k( 30) = ( 0.3815789 -0.0869007 -0.0723142), wk = 0.0033898 k( 31) = ( 0.3947368 -0.0898973 -0.0748078), wk = 0.0033898 k( 32) = ( 0.4078947 -0.0928939 -0.0773014), wk = 0.0033898 k( 33) = ( 0.4210526 -0.0958904 -0.0797950), wk = 0.0033898 k( 34) = ( 0.4342105 -0.0988870 -0.0822886), wk = 0.0033898 k( 35) = ( 0.4473684 -0.1018836 -0.0847821), wk = 0.0033898 k( 36) = ( 0.4605263 -0.1048802 -0.0872757), wk = 0.0033898 k( 37) = ( 0.4736842 -0.1078768 -0.0897693), wk = 0.0033898 k( 38) = ( 0.4868421 -0.1108733 -0.0922629), wk = 0.0033898 k( 39) = ( 0.5000000 -0.1138699 -0.0947565), wk = 0.0033898 k( 40) = ( 0.5000000 -0.1138699 -0.0947565), wk = 0.0033898 k( 41) = ( 0.5000000 -0.1049924 -0.1054247), wk = 0.0033898 k( 42) = ( 0.5000000 -0.0961149 -0.1160929), wk = 0.0033898 k( 43) = ( 0.5000000 -0.0872374 -0.1267610), wk = 0.0033898 k( 44) = ( 0.5000000 -0.0783599 -0.1374292), wk = 0.0033898 k( 45) = ( 0.5000000 -0.0694824 -0.1480974), wk = 0.0033898 k( 46) = ( 0.5000000 -0.0606050 -0.1587656), wk = 0.0033898 k( 47) = ( 0.5000000 -0.0517275 -0.1694338), wk = 0.0033898 k( 48) = ( 0.5000000 -0.0428500 -0.1801019), wk = 0.0033898 k( 49) = ( 0.5000000 -0.0339725 -0.1907701), wk = 0.0033898 k( 50) = ( 0.5000000 -0.0250950 -0.2014383), wk = 0.0033898 k( 51) = ( 0.5000000 -0.0162175 -0.2121065), wk = 0.0033898 k( 52) = ( 0.5000000 -0.0073400 -0.2227746), wk = 0.0033898 k( 53) = ( 0.5000000 0.0015375 -0.2334428), wk = 0.0033898 k( 54) = ( 0.5000000 0.0104150 -0.2441110), wk = 0.0033898 k( 55) = ( 0.5000000 0.0192925 -0.2547792), wk = 0.0033898 k( 56) = ( 0.5000000 0.0281700 -0.2654474), wk = 0.0033898 k( 57) = ( 0.5000000 0.0370475 -0.2761155), wk = 0.0033898 k( 58) = ( 0.5000000 0.0459250 -0.2867837), wk = 0.0033898 k( 59) = ( 0.5000000 0.0548025 -0.2974519), wk = 0.0033898 k( 60) = ( 0.5000000 0.0636800 -0.3081201), wk = 0.0033898 k( 61) = ( 0.5000000 0.0725574 -0.3187882), wk = 0.0033898 k( 62) = ( 0.5000000 0.0814349 -0.3294564), wk = 0.0033898 k( 63) = ( 0.5000000 0.0903124 -0.3401246), wk = 0.0033898 k( 64) = ( 0.5000000 0.0991899 -0.3507928), wk = 0.0033898 k( 65) = ( 0.5000000 0.1080674 -0.3614609), wk = 0.0033898 k( 66) = ( 0.5000000 0.1169449 -0.3721291), wk = 0.0033898 k( 67) = ( 0.5000000 0.1258224 -0.3827973), wk = 0.0033898 k( 68) = ( 0.5000000 0.1346999 -0.3934655), wk = 0.0033898 k( 69) = ( 0.5000000 0.1435774 -0.4041337), wk = 0.0033898 k( 70) = ( 0.5000000 0.1524549 -0.4148018), wk = 0.0033898 k( 71) = ( 0.5000000 0.1613324 -0.4254700), wk = 0.0033898 k( 72) = ( 0.5000000 0.1702099 -0.4361382), wk = 0.0033898 k( 73) = ( 0.5000000 0.1790874 -0.4468064), wk = 0.0033898 k( 74) = ( 0.5000000 0.1879649 -0.4574745), wk = 0.0033898 k( 75) = ( 0.5000000 0.1968423 -0.4681427), wk = 0.0033898 k( 76) = ( 0.5000000 0.2057198 -0.4788109), wk = 0.0033898 k( 77) = ( 0.5000000 0.2145973 -0.4894791), wk = 0.0033898 k( 78) = ( 0.5000000 0.2234748 -0.5001473), wk = 0.0033898 k( 79) = ( 0.5000000 0.2323523 -0.5108154), wk = 0.0033898 k( 80) = ( 0.5000000 0.2412298 -0.5214836), wk = 0.0033898 k( 81) = ( 0.6537656 0.3639140 0.1424575), wk = 0.0033898 k( 82) = ( 0.6452230 0.3658595 0.1529860), wk = 0.0033898 k( 83) = ( 0.6366805 0.3678049 0.1635145), wk = 0.0033898 k( 84) = ( 0.6281380 0.3697504 0.1740430), wk = 0.0033898 k( 85) = ( 0.6195955 0.3716959 0.1845715), wk = 0.0033898 k( 86) = ( 0.6110529 0.3736414 0.1951000), wk = 0.0033898 k( 87) = ( 0.6025104 0.3755868 0.2056286), wk = 0.0033898 k( 88) = ( 0.5939678 0.3775323 0.2161571), wk = 0.0033898 k( 89) = ( 0.5854253 0.3794778 0.2266856), wk = 0.0033898 k( 90) = ( 0.5768828 0.3814233 0.2372141), wk = 0.0033898 k( 91) = ( 0.5683403 0.3833687 0.2477426), wk = 0.0033898 k( 92) = ( 0.5597977 0.3853142 0.2582711), wk = 0.0033898 k( 93) = ( 0.5512552 0.3872597 0.2687996), wk = 0.0033898 k( 94) = ( 0.5427127 0.3892052 0.2793281), wk = 0.0033898 k( 95) = ( 0.5341701 0.3911506 0.2898566), wk = 0.0033898 k( 96) = ( 0.5256276 0.3930961 0.3003851), wk = 0.0033898 k( 97) = ( 0.5170851 0.3950416 0.3109136), wk = 0.0033898 k( 98) = ( 0.5085425 0.3969871 0.3214421), wk = 0.0033898 k( 99) = ( 0.5000000 0.3989325 0.3319706), wk = 0.0033898 k( 100) = ( 0.5000000 0.3989325 0.3319706), wk = 0.0033898 k( 101) = ( 0.4903846 0.3912608 0.3255865), wk = 0.0033898 k( 102) = ( 0.4807692 0.3835890 0.3192025), wk = 0.0033898 k( 103) = ( 0.4711538 0.3759172 0.3128184), wk = 0.0033898 k( 104) = ( 0.4615385 0.3682454 0.3064344), wk = 0.0033898 k( 105) = ( 0.4519231 0.3605736 0.3000503), wk = 0.0033898 k( 106) = ( 0.4423077 0.3529019 0.2936663), wk = 0.0033898 k( 107) = ( 0.4326923 0.3452301 0.2872822), wk = 0.0033898 k( 108) = ( 0.4230769 0.3375583 0.2808982), wk = 0.0033898 k( 109) = ( 0.4134615 0.3298865 0.2745141), wk = 0.0033898 k( 110) = ( 0.4038462 0.3222147 0.2681301), wk = 0.0033898 k( 111) = ( 0.3942308 0.3145430 0.2617460), wk = 0.0033898 k( 112) = ( 0.3846154 0.3068712 0.2553620), wk = 0.0033898 k( 113) = ( 0.3750000 0.2991994 0.2489779), wk = 0.0033898 k( 114) = ( 0.3653846 0.2915276 0.2425939), wk = 0.0033898 k( 115) = ( 0.3557692 0.2838558 0.2362098), wk = 0.0033898 k( 116) = ( 0.3461538 0.2761841 0.2298258), wk = 0.0033898 k( 117) = ( 0.3365385 0.2685123 0.2234417), wk = 0.0033898 k( 118) = ( 0.3269231 0.2608405 0.2170577), wk = 0.0033898 k( 119) = ( 0.3173077 0.2531687 0.2106736), wk = 0.0033898 k( 120) = ( 0.3076923 0.2454970 0.2042896), wk = 0.0033898 k( 121) = ( 0.2980769 0.2378252 0.1979055), wk = 0.0033898 k( 122) = ( 0.2884615 0.2301534 0.1915215), wk = 0.0033898 k( 123) = ( 0.2788462 0.2224816 0.1851374), wk = 0.0033898 k( 124) = ( 0.2692308 0.2148098 0.1787534), wk = 0.0033898 k( 125) = ( 0.2596154 0.2071380 0.1723693), wk = 0.0033898 k( 126) = ( 0.2500000 0.1994663 0.1659853), wk = 0.0033898 k( 127) = ( 0.2403846 0.1917945 0.1596012), wk = 0.0033898 k( 128) = ( 0.2307692 0.1841227 0.1532172), wk = 0.0033898 k( 129) = ( 0.2211539 0.1764509 0.1468331), wk = 0.0033898 k( 130) = ( 0.2115385 0.1687792 0.1404491), wk = 0.0033898 k( 131) = ( 0.2019231 0.1611074 0.1340650), wk = 0.0033898 k( 132) = ( 0.1923077 0.1534356 0.1276810), wk = 0.0033898 k( 133) = ( 0.1826923 0.1457638 0.1212969), wk = 0.0033898 k( 134) = ( 0.1730769 0.1380920 0.1149129), wk = 0.0033898 k( 135) = ( 0.1634615 0.1304203 0.1085288), wk = 0.0033898 k( 136) = ( 0.1538461 0.1227485 0.1021448), wk = 0.0033898 k( 137) = ( 0.1442308 0.1150767 0.0957607), wk = 0.0033898 k( 138) = ( 0.1346154 0.1074049 0.0893767), wk = 0.0033898 k( 139) = ( 0.1250000 0.0997331 0.0829926), wk = 0.0033898 k( 140) = ( 0.1153846 0.0920614 0.0766086), wk = 0.0033898 k( 141) = ( 0.1057692 0.0843896 0.0702245), wk = 0.0033898 k( 142) = ( 0.0961538 0.0767178 0.0638405), wk = 0.0033898 k( 143) = ( 0.0865385 0.0690460 0.0574564), wk = 0.0033898 k( 144) = ( 0.0769231 0.0613742 0.0510724), wk = 0.0033898 k( 145) = ( 0.0673077 0.0537025 0.0446883), wk = 0.0033898 k( 146) = ( 0.0576923 0.0460307 0.0383043), wk = 0.0033898 k( 147) = ( 0.0480769 0.0383589 0.0319202), wk = 0.0033898 k( 148) = ( 0.0384615 0.0306871 0.0255362), wk = 0.0033898 k( 149) = ( 0.0288462 0.0230153 0.0191521), wk = 0.0033898 k( 150) = ( 0.0192308 0.0153436 0.0127681), wk = 0.0033898 k( 151) = ( 0.0096154 0.0076718 0.0063840), wk = 0.0033898 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 154) = ( 0.0086351 -0.0019665 -0.0106425), wk = 0.0033898 k( 155) = ( 0.0172701 -0.0039331 -0.0212850), wk = 0.0033898 k( 156) = ( 0.0259051 -0.0058996 -0.0319276), wk = 0.0033898 k( 157) = ( 0.0345402 -0.0078662 -0.0425701), wk = 0.0033898 k( 158) = ( 0.0431752 -0.0098327 -0.0532126), wk = 0.0033898 k( 159) = ( 0.0518103 -0.0117993 -0.0638551), wk = 0.0033898 k( 160) = ( 0.0604453 -0.0137658 -0.0744977), wk = 0.0033898 k( 161) = ( 0.0690804 -0.0157323 -0.0851402), wk = 0.0033898 k( 162) = ( 0.0777154 -0.0176989 -0.0957827), wk = 0.0033898 k( 163) = ( 0.0863504 -0.0196654 -0.1064252), wk = 0.0033898 k( 164) = ( 0.0949855 -0.0216320 -0.1170678), wk = 0.0033898 k( 165) = ( 0.1036205 -0.0235985 -0.1277103), wk = 0.0033898 k( 166) = ( 0.1122556 -0.0255651 -0.1383528), wk = 0.0033898 k( 167) = ( 0.1208906 -0.0275316 -0.1489953), wk = 0.0033898 k( 168) = ( 0.1295257 -0.0294982 -0.1596378), wk = 0.0033898 k( 169) = ( 0.1381607 -0.0314647 -0.1702804), wk = 0.0033898 k( 170) = ( 0.1467958 -0.0334312 -0.1809229), wk = 0.0033898 k( 171) = ( 0.1554308 -0.0353978 -0.1915654), wk = 0.0033898 k( 172) = ( 0.1640659 -0.0373643 -0.2022079), wk = 0.0033898 k( 173) = ( 0.1727009 -0.0393309 -0.2128504), wk = 0.0033898 k( 174) = ( 0.1813359 -0.0412974 -0.2234930), wk = 0.0033898 k( 175) = ( 0.1899710 -0.0432640 -0.2341355), wk = 0.0033898 k( 176) = ( 0.1986060 -0.0452305 -0.2447780), wk = 0.0033898 k( 177) = ( 0.2072411 -0.0471970 -0.2554205), wk = 0.0033898 k( 178) = ( 0.2158761 -0.0491636 -0.2660631), wk = 0.0033898 k( 179) = ( 0.2245112 -0.0511301 -0.2767056), wk = 0.0033898 k( 180) = ( 0.2331462 -0.0530967 -0.2873481), wk = 0.0033898 k( 181) = ( 0.2417813 -0.0550632 -0.2979906), wk = 0.0033898 k( 182) = ( 0.2504163 -0.0570298 -0.3086332), wk = 0.0033898 k( 183) = ( 0.2590514 -0.0589963 -0.3192757), wk = 0.0033898 k( 184) = ( 0.2676864 -0.0609629 -0.3299182), wk = 0.0033898 k( 185) = ( 0.2763214 -0.0629294 -0.3405607), wk = 0.0033898 k( 186) = ( 0.2849565 -0.0648959 -0.3512032), wk = 0.0033898 k( 187) = ( 0.2935915 -0.0668625 -0.3618458), wk = 0.0033898 k( 188) = ( 0.3022266 -0.0688290 -0.3724883), wk = 0.0033898 k( 189) = ( 0.3108616 -0.0707956 -0.3831308), wk = 0.0033898 k( 190) = ( 0.3194967 -0.0727621 -0.3937733), wk = 0.0033898 k( 191) = ( 0.3281317 -0.0747287 -0.4044159), wk = 0.0033898 k( 192) = ( 0.3367668 -0.0766952 -0.4150584), wk = 0.0033898 k( 193) = ( 0.3454018 -0.0786617 -0.4257009), wk = 0.0033898 k( 194) = ( 0.3540369 -0.0806283 -0.4363434), wk = 0.0033898 k( 195) = ( 0.3626719 -0.0825948 -0.4469860), wk = 0.0033898 k( 196) = ( 0.3713069 -0.0845614 -0.4576285), wk = 0.0033898 k( 197) = ( 0.3799420 -0.0865279 -0.4682710), wk = 0.0033898 k( 198) = ( 0.3885770 -0.0884945 -0.4789135), wk = 0.0033898 k( 199) = ( 0.3972121 -0.0904610 -0.4895560), wk = 0.0033898 k( 200) = ( 0.4058471 -0.0924275 -0.5001986), wk = 0.0033898 k( 201) = ( 0.4144822 -0.0943941 -0.5108411), wk = 0.0033898 k( 202) = ( 0.4231172 -0.0963606 -0.5214836), wk = 0.0033898 k( 203) = ( 0.5768828 0.3025719 -0.1895130), wk = 0.0033898 k( 204) = ( 0.5683403 0.3132786 -0.1895130), wk = 0.0033898 k( 205) = ( 0.5597977 0.3239854 -0.1895130), wk = 0.0033898 k( 206) = ( 0.5512552 0.3346921 -0.1895130), wk = 0.0033898 k( 207) = ( 0.5427127 0.3453989 -0.1895130), wk = 0.0033898 k( 208) = ( 0.5341701 0.3561056 -0.1895130), wk = 0.0033898 k( 209) = ( 0.5256276 0.3668123 -0.1895130), wk = 0.0033898 k( 210) = ( 0.5170851 0.3775191 -0.1895130), wk = 0.0033898 k( 211) = ( 0.5085425 0.3882258 -0.1895130), wk = 0.0033898 k( 212) = ( 0.5000000 0.3989325 -0.1895130), wk = 0.0033898 k( 213) = ( 0.5000000 0.3989325 -0.1895130), wk = 0.0033898 k( 214) = ( 0.5030753 0.4013862 -0.1762342), wk = 0.0033898 k( 215) = ( 0.5061506 0.4038399 -0.1629554), wk = 0.0033898 k( 216) = ( 0.5092259 0.4062936 -0.1496766), wk = 0.0033898 k( 217) = ( 0.5123013 0.4087473 -0.1363977), wk = 0.0033898 k( 218) = ( 0.5153766 0.4112010 -0.1231189), wk = 0.0033898 k( 219) = ( 0.5184519 0.4136546 -0.1098401), wk = 0.0033898 k( 220) = ( 0.5215272 0.4161083 -0.0965613), wk = 0.0033898 k( 221) = ( 0.5246025 0.4185620 -0.0832824), wk = 0.0033898 k( 222) = ( 0.5276778 0.4210157 -0.0700036), wk = 0.0033898 k( 223) = ( 0.5307531 0.4234694 -0.0567248), wk = 0.0033898 k( 224) = ( 0.5338284 0.4259231 -0.0434460), wk = 0.0033898 k( 225) = ( 0.5369037 0.4283767 -0.0301672), wk = 0.0033898 k( 226) = ( 0.5399791 0.4308304 -0.0168883), wk = 0.0033898 k( 227) = ( 0.5430544 0.4332841 -0.0036095), wk = 0.0033898 k( 228) = ( 0.5461297 0.4357378 0.0096693), wk = 0.0033898 k( 229) = ( 0.5492050 0.4381915 0.0229481), wk = 0.0033898 k( 230) = ( 0.5522803 0.4406452 0.0362270), wk = 0.0033898 k( 231) = ( 0.5553556 0.4430989 0.0495058), wk = 0.0033898 k( 232) = ( 0.5584309 0.4455525 0.0627846), wk = 0.0033898 k( 233) = ( 0.5615062 0.4480062 0.0760634), wk = 0.0033898 k( 234) = ( 0.5645815 0.4504599 0.0893422), wk = 0.0033898 k( 235) = ( 0.5676568 0.4529136 0.1026211), wk = 0.0033898 k( 236) = ( 0.5707322 0.4553673 0.1158999), wk = 0.0033898 k( 237) = ( 0.5738075 0.4578210 0.1291787), wk = 0.0033898 k( 238) = ( 0.5768828 0.4602746 0.1424575), wk = 0.0033898 k( 239) = ( 0.5768828 0.4602746 0.1424575), wk = 0.0033898 k( 240) = ( 0.5720776 0.4564408 0.1543021), wk = 0.0033898 k( 241) = ( 0.5672724 0.4526069 0.1661467), wk = 0.0033898 k( 242) = ( 0.5624673 0.4487730 0.1779912), wk = 0.0033898 k( 243) = ( 0.5576621 0.4449391 0.1898358), wk = 0.0033898 k( 244) = ( 0.5528569 0.4411052 0.2016804), wk = 0.0033898 k( 245) = ( 0.5480517 0.4372713 0.2135249), wk = 0.0033898 k( 246) = ( 0.5432466 0.4334375 0.2253695), wk = 0.0033898 k( 247) = ( 0.5384414 0.4296036 0.2372141), wk = 0.0033898 k( 248) = ( 0.5336362 0.4257697 0.2490586), wk = 0.0033898 k( 249) = ( 0.5288310 0.4219358 0.2609032), wk = 0.0033898 k( 250) = ( 0.5240259 0.4181019 0.2727478), wk = 0.0033898 k( 251) = ( 0.5192207 0.4142681 0.2845923), wk = 0.0033898 k( 252) = ( 0.5144155 0.4104342 0.2964369), wk = 0.0033898 k( 253) = ( 0.5096103 0.4066003 0.3082814), wk = 0.0033898 k( 254) = ( 0.5048052 0.4027664 0.3201260), wk = 0.0033898 k( 255) = ( 0.5000000 0.3989325 0.3319706), wk = 0.0033898 k( 256) = ( 0.5000000 -0.1138699 -0.0947565), wk = 0.0033898 k( 257) = ( 0.5039427 -0.1036409 -0.0862445), wk = 0.0033898 k( 258) = ( 0.5078854 -0.0934118 -0.0777324), wk = 0.0033898 k( 259) = ( 0.5118281 -0.0831828 -0.0692203), wk = 0.0033898 k( 260) = ( 0.5157708 -0.0729537 -0.0607083), wk = 0.0033898 k( 261) = ( 0.5197135 -0.0627247 -0.0521962), wk = 0.0033898 k( 262) = ( 0.5236562 -0.0524957 -0.0436841), wk = 0.0033898 k( 263) = ( 0.5275990 -0.0422666 -0.0351721), wk = 0.0033898 k( 264) = ( 0.5315417 -0.0320376 -0.0266600), wk = 0.0033898 k( 265) = ( 0.5354844 -0.0218086 -0.0181479), wk = 0.0033898 k( 266) = ( 0.5394271 -0.0115795 -0.0096359), wk = 0.0033898 k( 267) = ( 0.5433698 -0.0013505 -0.0011238), wk = 0.0033898 k( 268) = ( 0.5473125 0.0088786 0.0073883), wk = 0.0033898 k( 269) = ( 0.5512552 0.0191076 0.0159003), wk = 0.0033898 k( 270) = ( 0.5551979 0.0293366 0.0244124), wk = 0.0033898 k( 271) = ( 0.5591406 0.0395657 0.0329245), wk = 0.0033898 k( 272) = ( 0.5630833 0.0497947 0.0414365), wk = 0.0033898 k( 273) = ( 0.5670260 0.0600238 0.0499486), wk = 0.0033898 k( 274) = ( 0.5709687 0.0702528 0.0584607), wk = 0.0033898 k( 275) = ( 0.5749114 0.0804818 0.0669727), wk = 0.0033898 k( 276) = ( 0.5788541 0.0907109 0.0754848), wk = 0.0033898 k( 277) = ( 0.5827969 0.1009399 0.0839969), wk = 0.0033898 k( 278) = ( 0.5867396 0.1111690 0.0925089), wk = 0.0033898 k( 279) = ( 0.5906823 0.1213980 0.1010210), wk = 0.0033898 k( 280) = ( 0.5946250 0.1316270 0.1095331), wk = 0.0033898 k( 281) = ( 0.5985677 0.1418561 0.1180451), wk = 0.0033898 k( 282) = ( 0.6025104 0.1520851 0.1265572), wk = 0.0033898 k( 283) = ( 0.6064531 0.1623142 0.1350693), wk = 0.0033898 k( 284) = ( 0.6103958 0.1725432 0.1435813), wk = 0.0033898 k( 285) = ( 0.6143385 0.1827722 0.1520934), wk = 0.0033898 k( 286) = ( 0.6182812 0.1930013 0.1606055), wk = 0.0033898 k( 287) = ( 0.6222239 0.2032303 0.1691175), wk = 0.0033898 k( 288) = ( 0.6261666 0.2134594 0.1776296), wk = 0.0033898 k( 289) = ( 0.6301093 0.2236884 0.1861417), wk = 0.0033898 k( 290) = ( 0.6340520 0.2339174 0.1946537), wk = 0.0033898 k( 291) = ( 0.6379948 0.2441465 0.2031658), wk = 0.0033898 k( 292) = ( 0.6419375 0.2543755 0.2116779), wk = 0.0033898 k( 293) = ( 0.6458802 0.2646046 0.2201899), wk = 0.0033898 k( 294) = ( 0.6498229 0.2748336 0.2287020), wk = 0.0033898 k( 295) = ( 0.6537656 0.2850626 0.2372141), wk = 0.0033898 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0131579 0.0000000 0.0000000), wk = 0.0033898 k( 3) = ( 0.0263158 0.0000000 -0.0000000), wk = 0.0033898 k( 4) = ( 0.0394737 0.0000000 0.0000000), wk = 0.0033898 k( 5) = ( 0.0526316 0.0000000 -0.0000000), wk = 0.0033898 k( 6) = ( 0.0657895 0.0000000 0.0000000), wk = 0.0033898 k( 7) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0033898 k( 8) = ( 0.0921053 0.0000000 -0.0000000), wk = 0.0033898 k( 9) = ( 0.1052632 0.0000000 -0.0000000), wk = 0.0033898 k( 10) = ( 0.1184210 0.0000000 -0.0000000), wk = 0.0033898 k( 11) = ( 0.1315790 0.0000000 -0.0000000), wk = 0.0033898 k( 12) = ( 0.1447368 0.0000000 0.0000000), wk = 0.0033898 k( 13) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0033898 k( 14) = ( 0.1710526 0.0000000 -0.0000000), wk = 0.0033898 k( 15) = ( 0.1842105 0.0000000 0.0000000), wk = 0.0033898 k( 16) = ( 0.1973684 0.0000000 -0.0000000), wk = 0.0033898 k( 17) = ( 0.2105263 0.0000000 -0.0000000), wk = 0.0033898 k( 18) = ( 0.2236842 0.0000000 0.0000000), wk = 0.0033898 k( 19) = ( 0.2368421 0.0000000 -0.0000000), wk = 0.0033898 k( 20) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033898 k( 21) = ( 0.2631579 0.0000000 0.0000000), wk = 0.0033898 k( 22) = ( 0.2763158 0.0000000 -0.0000000), wk = 0.0033898 k( 23) = ( 0.2894737 0.0000000 0.0000000), wk = 0.0033898 k( 24) = ( 0.3026316 0.0000000 -0.0000000), wk = 0.0033898 k( 25) = ( 0.3157895 0.0000000 0.0000000), wk = 0.0033898 k( 26) = ( 0.3289474 0.0000000 -0.0000000), wk = 0.0033898 k( 27) = ( 0.3421053 0.0000000 -0.0000000), wk = 0.0033898 k( 28) = ( 0.3552632 0.0000000 -0.0000000), wk = 0.0033898 k( 29) = ( 0.3684211 0.0000000 0.0000000), wk = 0.0033898 k( 30) = ( 0.3815789 0.0000000 0.0000000), wk = 0.0033898 k( 31) = ( 0.3947368 0.0000000 -0.0000000), wk = 0.0033898 k( 32) = ( 0.4078947 0.0000000 0.0000000), wk = 0.0033898 k( 33) = ( 0.4210526 0.0000000 0.0000000), wk = 0.0033898 k( 34) = ( 0.4342105 0.0000000 -0.0000000), wk = 0.0033898 k( 35) = ( 0.4473684 0.0000000 0.0000000), wk = 0.0033898 k( 36) = ( 0.4605263 0.0000000 -0.0000000), wk = 0.0033898 k( 37) = ( 0.4736842 0.0000000 -0.0000000), wk = 0.0033898 k( 38) = ( 0.4868421 0.0000000 0.0000000), wk = 0.0033898 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033898 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033898 k( 41) = ( 0.5000000 0.0086559 -0.0086559), wk = 0.0033898 k( 42) = ( 0.5000000 0.0173117 -0.0173117), wk = 0.0033898 k( 43) = ( 0.5000000 0.0259676 -0.0259676), wk = 0.0033898 k( 44) = ( 0.5000000 0.0346234 -0.0346234), wk = 0.0033898 k( 45) = ( 0.5000000 0.0432793 -0.0432793), wk = 0.0033898 k( 46) = ( 0.5000000 0.0519352 -0.0519352), wk = 0.0033898 k( 47) = ( 0.5000000 0.0605910 -0.0605910), wk = 0.0033898 k( 48) = ( 0.5000000 0.0692469 -0.0692469), wk = 0.0033898 k( 49) = ( 0.5000000 0.0779028 -0.0779028), wk = 0.0033898 k( 50) = ( 0.5000000 0.0865586 -0.0865586), wk = 0.0033898 k( 51) = ( 0.5000000 0.0952145 -0.0952145), wk = 0.0033898 k( 52) = ( 0.5000000 0.1038703 -0.1038703), wk = 0.0033898 k( 53) = ( 0.5000000 0.1125262 -0.1125262), wk = 0.0033898 k( 54) = ( 0.5000000 0.1211820 -0.1211821), wk = 0.0033898 k( 55) = ( 0.5000000 0.1298379 -0.1298379), wk = 0.0033898 k( 56) = ( 0.5000000 0.1384938 -0.1384938), wk = 0.0033898 k( 57) = ( 0.5000000 0.1471496 -0.1471496), wk = 0.0033898 k( 58) = ( 0.5000000 0.1558055 -0.1558055), wk = 0.0033898 k( 59) = ( 0.5000000 0.1644614 -0.1644614), wk = 0.0033898 k( 60) = ( 0.5000000 0.1731172 -0.1731172), wk = 0.0033898 k( 61) = ( 0.5000000 0.1817731 -0.1817731), wk = 0.0033898 k( 62) = ( 0.5000000 0.1904289 -0.1904289), wk = 0.0033898 k( 63) = ( 0.5000000 0.1990848 -0.1990848), wk = 0.0033898 k( 64) = ( 0.5000000 0.2077406 -0.2077406), wk = 0.0033898 k( 65) = ( 0.5000000 0.2163965 -0.2163965), wk = 0.0033898 k( 66) = ( 0.5000000 0.2250524 -0.2250524), wk = 0.0033898 k( 67) = ( 0.5000000 0.2337082 -0.2337082), wk = 0.0033898 k( 68) = ( 0.5000000 0.2423641 -0.2423641), wk = 0.0033898 k( 69) = ( 0.5000000 0.2510200 -0.2510200), wk = 0.0033898 k( 70) = ( 0.5000000 0.2596758 -0.2596758), wk = 0.0033898 k( 71) = ( 0.5000000 0.2683317 -0.2683317), wk = 0.0033898 k( 72) = ( 0.5000000 0.2769875 -0.2769875), wk = 0.0033898 k( 73) = ( 0.5000000 0.2856434 -0.2856434), wk = 0.0033898 k( 74) = ( 0.5000000 0.2942993 -0.2942993), wk = 0.0033898 k( 75) = ( 0.5000000 0.3029551 -0.3029551), wk = 0.0033898 k( 76) = ( 0.5000000 0.3116110 -0.3116110), wk = 0.0033898 k( 77) = ( 0.5000000 0.3202668 -0.3202668), wk = 0.0033898 k( 78) = ( 0.5000000 0.3289227 -0.3289227), wk = 0.0033898 k( 79) = ( 0.5000000 0.3375786 -0.3375786), wk = 0.0033898 k( 80) = ( 0.5000000 0.3462344 -0.3462344), wk = 0.0033898 k( 81) = ( 0.6537656 0.5000000 0.3462344), wk = 0.0033898 k( 82) = ( 0.6452230 0.5000000 0.3547770), wk = 0.0033898 k( 83) = ( 0.6366805 0.5000000 0.3633195), wk = 0.0033898 k( 84) = ( 0.6281380 0.5000000 0.3718620), wk = 0.0033898 k( 85) = ( 0.6195955 0.5000000 0.3804045), wk = 0.0033898 k( 86) = ( 0.6110529 0.5000000 0.3889471), wk = 0.0033898 k( 87) = ( 0.6025104 0.5000000 0.3974896), wk = 0.0033898 k( 88) = ( 0.5939678 0.5000000 0.4060321), wk = 0.0033898 k( 89) = ( 0.5854253 0.5000000 0.4145747), wk = 0.0033898 k( 90) = ( 0.5768828 0.5000000 0.4231172), wk = 0.0033898 k( 91) = ( 0.5683403 0.5000000 0.4316597), wk = 0.0033898 k( 92) = ( 0.5597977 0.5000000 0.4402023), wk = 0.0033898 k( 93) = ( 0.5512552 0.5000000 0.4487448), wk = 0.0033898 k( 94) = ( 0.5427127 0.5000000 0.4572873), wk = 0.0033898 k( 95) = ( 0.5341701 0.5000000 0.4658299), wk = 0.0033898 k( 96) = ( 0.5256276 0.5000000 0.4743724), wk = 0.0033898 k( 97) = ( 0.5170851 0.5000000 0.4829149), wk = 0.0033898 k( 98) = ( 0.5085425 0.5000000 0.4914575), wk = 0.0033898 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033898 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033898 k( 101) = ( 0.4903846 0.4903846 0.4903846), wk = 0.0033898 k( 102) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0033898 k( 103) = ( 0.4711538 0.4711538 0.4711538), wk = 0.0033898 k( 104) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0033898 k( 105) = ( 0.4519231 0.4519231 0.4519231), wk = 0.0033898 k( 106) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0033898 k( 107) = ( 0.4326923 0.4326923 0.4326923), wk = 0.0033898 k( 108) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0033898 k( 109) = ( 0.4134615 0.4134615 0.4134615), wk = 0.0033898 k( 110) = ( 0.4038462 0.4038461 0.4038462), wk = 0.0033898 k( 111) = ( 0.3942308 0.3942308 0.3942308), wk = 0.0033898 k( 112) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0033898 k( 113) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0033898 k( 114) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0033898 k( 115) = ( 0.3557692 0.3557692 0.3557692), wk = 0.0033898 k( 116) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0033898 k( 117) = ( 0.3365385 0.3365385 0.3365385), wk = 0.0033898 k( 118) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0033898 k( 119) = ( 0.3173077 0.3173077 0.3173077), wk = 0.0033898 k( 120) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0033898 k( 121) = ( 0.2980769 0.2980769 0.2980769), wk = 0.0033898 k( 122) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0033898 k( 123) = ( 0.2788462 0.2788462 0.2788462), wk = 0.0033898 k( 124) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0033898 k( 125) = ( 0.2596154 0.2596154 0.2596154), wk = 0.0033898 k( 126) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033898 k( 127) = ( 0.2403846 0.2403846 0.2403846), wk = 0.0033898 k( 128) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0033898 k( 129) = ( 0.2211539 0.2211539 0.2211539), wk = 0.0033898 k( 130) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0033898 k( 131) = ( 0.2019231 0.2019231 0.2019231), wk = 0.0033898 k( 132) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0033898 k( 133) = ( 0.1826923 0.1826923 0.1826923), wk = 0.0033898 k( 134) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0033898 k( 135) = ( 0.1634615 0.1634615 0.1634615), wk = 0.0033898 k( 136) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0033898 k( 137) = ( 0.1442308 0.1442308 0.1442308), wk = 0.0033898 k( 138) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0033898 k( 139) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0033898 k( 140) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0033898 k( 141) = ( 0.1057692 0.1057692 0.1057692), wk = 0.0033898 k( 142) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0033898 k( 143) = ( 0.0865385 0.0865385 0.0865385), wk = 0.0033898 k( 144) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0033898 k( 145) = ( 0.0673077 0.0673077 0.0673077), wk = 0.0033898 k( 146) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0033898 k( 147) = ( 0.0480769 0.0480769 0.0480769), wk = 0.0033898 k( 148) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0033898 k( 149) = ( 0.0288462 0.0288462 0.0288462), wk = 0.0033898 k( 150) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0033898 k( 151) = ( 0.0096154 0.0096154 0.0096154), wk = 0.0033898 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 154) = ( 0.0086351 0.0000000 -0.0086351), wk = 0.0033898 k( 155) = ( 0.0172701 0.0000000 -0.0172701), wk = 0.0033898 k( 156) = ( 0.0259051 0.0000000 -0.0259051), wk = 0.0033898 k( 157) = ( 0.0345402 0.0000000 -0.0345402), wk = 0.0033898 k( 158) = ( 0.0431752 0.0000000 -0.0431752), wk = 0.0033898 k( 159) = ( 0.0518103 0.0000000 -0.0518103), wk = 0.0033898 k( 160) = ( 0.0604453 0.0000000 -0.0604453), wk = 0.0033898 k( 161) = ( 0.0690804 0.0000000 -0.0690804), wk = 0.0033898 k( 162) = ( 0.0777154 0.0000000 -0.0777154), wk = 0.0033898 k( 163) = ( 0.0863504 0.0000000 -0.0863504), wk = 0.0033898 k( 164) = ( 0.0949855 0.0000000 -0.0949855), wk = 0.0033898 k( 165) = ( 0.1036205 0.0000000 -0.1036205), wk = 0.0033898 k( 166) = ( 0.1122556 0.0000000 -0.1122556), wk = 0.0033898 k( 167) = ( 0.1208906 0.0000000 -0.1208906), wk = 0.0033898 k( 168) = ( 0.1295257 0.0000000 -0.1295257), wk = 0.0033898 k( 169) = ( 0.1381607 0.0000000 -0.1381607), wk = 0.0033898 k( 170) = ( 0.1467958 0.0000000 -0.1467958), wk = 0.0033898 k( 171) = ( 0.1554308 0.0000000 -0.1554308), wk = 0.0033898 k( 172) = ( 0.1640659 0.0000000 -0.1640659), wk = 0.0033898 k( 173) = ( 0.1727009 0.0000000 -0.1727009), wk = 0.0033898 k( 174) = ( 0.1813359 0.0000000 -0.1813359), wk = 0.0033898 k( 175) = ( 0.1899710 0.0000000 -0.1899710), wk = 0.0033898 k( 176) = ( 0.1986060 0.0000000 -0.1986060), wk = 0.0033898 k( 177) = ( 0.2072411 0.0000000 -0.2072411), wk = 0.0033898 k( 178) = ( 0.2158761 0.0000000 -0.2158761), wk = 0.0033898 k( 179) = ( 0.2245112 0.0000000 -0.2245112), wk = 0.0033898 k( 180) = ( 0.2331462 0.0000000 -0.2331462), wk = 0.0033898 k( 181) = ( 0.2417813 0.0000000 -0.2417813), wk = 0.0033898 k( 182) = ( 0.2504163 0.0000000 -0.2504163), wk = 0.0033898 k( 183) = ( 0.2590514 0.0000000 -0.2590514), wk = 0.0033898 k( 184) = ( 0.2676864 0.0000000 -0.2676864), wk = 0.0033898 k( 185) = ( 0.2763214 0.0000000 -0.2763214), wk = 0.0033898 k( 186) = ( 0.2849565 0.0000000 -0.2849565), wk = 0.0033898 k( 187) = ( 0.2935915 0.0000000 -0.2935915), wk = 0.0033898 k( 188) = ( 0.3022266 0.0000000 -0.3022266), wk = 0.0033898 k( 189) = ( 0.3108616 0.0000000 -0.3108616), wk = 0.0033898 k( 190) = ( 0.3194967 0.0000000 -0.3194967), wk = 0.0033898 k( 191) = ( 0.3281317 0.0000000 -0.3281317), wk = 0.0033898 k( 192) = ( 0.3367668 0.0000000 -0.3367668), wk = 0.0033898 k( 193) = ( 0.3454018 0.0000000 -0.3454018), wk = 0.0033898 k( 194) = ( 0.3540369 0.0000000 -0.3540369), wk = 0.0033898 k( 195) = ( 0.3626719 0.0000000 -0.3626719), wk = 0.0033898 k( 196) = ( 0.3713069 0.0000000 -0.3713069), wk = 0.0033898 k( 197) = ( 0.3799420 0.0000000 -0.3799420), wk = 0.0033898 k( 198) = ( 0.3885770 0.0000000 -0.3885770), wk = 0.0033898 k( 199) = ( 0.3972121 0.0000000 -0.3972121), wk = 0.0033898 k( 200) = ( 0.4058471 0.0000000 -0.4058471), wk = 0.0033898 k( 201) = ( 0.4144822 0.0000000 -0.4144822), wk = 0.0033898 k( 202) = ( 0.4231172 0.0000000 -0.4231172), wk = 0.0033898 k( 203) = ( 0.5768828 0.4231172 -0.0000000), wk = 0.0033898 k( 204) = ( 0.5683403 0.4316597 -0.0000000), wk = 0.0033898 k( 205) = ( 0.5597977 0.4402023 -0.0000000), wk = 0.0033898 k( 206) = ( 0.5512552 0.4487448 -0.0000000), wk = 0.0033898 k( 207) = ( 0.5427127 0.4572873 0.0000000), wk = 0.0033898 k( 208) = ( 0.5341701 0.4658299 -0.0000000), wk = 0.0033898 k( 209) = ( 0.5256276 0.4743724 -0.0000000), wk = 0.0033898 k( 210) = ( 0.5170851 0.4829149 -0.0000000), wk = 0.0033898 k( 211) = ( 0.5085425 0.4914575 -0.0000000), wk = 0.0033898 k( 212) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033898 k( 213) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033898 k( 214) = ( 0.5030753 0.5030753 0.0138494), wk = 0.0033898 k( 215) = ( 0.5061506 0.5061506 0.0276987), wk = 0.0033898 k( 216) = ( 0.5092259 0.5092259 0.0415481), wk = 0.0033898 k( 217) = ( 0.5123013 0.5123013 0.0553975), wk = 0.0033898 k( 218) = ( 0.5153766 0.5153766 0.0692469), wk = 0.0033898 k( 219) = ( 0.5184519 0.5184519 0.0830963), wk = 0.0033898 k( 220) = ( 0.5215272 0.5215272 0.0969456), wk = 0.0033898 k( 221) = ( 0.5246025 0.5246025 0.1107950), wk = 0.0033898 k( 222) = ( 0.5276778 0.5276778 0.1246444), wk = 0.0033898 k( 223) = ( 0.5307531 0.5307531 0.1384938), wk = 0.0033898 k( 224) = ( 0.5338284 0.5338284 0.1523432), wk = 0.0033898 k( 225) = ( 0.5369037 0.5369037 0.1661925), wk = 0.0033898 k( 226) = ( 0.5399791 0.5399791 0.1800419), wk = 0.0033898 k( 227) = ( 0.5430544 0.5430544 0.1938913), wk = 0.0033898 k( 228) = ( 0.5461297 0.5461297 0.2077406), wk = 0.0033898 k( 229) = ( 0.5492050 0.5492050 0.2215900), wk = 0.0033898 k( 230) = ( 0.5522803 0.5522803 0.2354394), wk = 0.0033898 k( 231) = ( 0.5553556 0.5553556 0.2492888), wk = 0.0033898 k( 232) = ( 0.5584309 0.5584309 0.2631382), wk = 0.0033898 k( 233) = ( 0.5615062 0.5615062 0.2769875), wk = 0.0033898 k( 234) = ( 0.5645815 0.5645815 0.2908369), wk = 0.0033898 k( 235) = ( 0.5676568 0.5676568 0.3046863), wk = 0.0033898 k( 236) = ( 0.5707322 0.5707322 0.3185357), wk = 0.0033898 k( 237) = ( 0.5738075 0.5738075 0.3323850), wk = 0.0033898 k( 238) = ( 0.5768828 0.5768828 0.3462344), wk = 0.0033898 k( 239) = ( 0.5768828 0.5768828 0.3462344), wk = 0.0033898 k( 240) = ( 0.5720776 0.5720776 0.3558448), wk = 0.0033898 k( 241) = ( 0.5672724 0.5672724 0.3654551), wk = 0.0033898 k( 242) = ( 0.5624673 0.5624673 0.3750655), wk = 0.0033898 k( 243) = ( 0.5576621 0.5576621 0.3846758), wk = 0.0033898 k( 244) = ( 0.5528569 0.5528569 0.3942862), wk = 0.0033898 k( 245) = ( 0.5480517 0.5480517 0.4038965), wk = 0.0033898 k( 246) = ( 0.5432466 0.5432466 0.4135069), wk = 0.0033898 k( 247) = ( 0.5384414 0.5384414 0.4231172), wk = 0.0033898 k( 248) = ( 0.5336362 0.5336362 0.4327276), wk = 0.0033898 k( 249) = ( 0.5288310 0.5288310 0.4423379), wk = 0.0033898 k( 250) = ( 0.5240259 0.5240259 0.4519483), wk = 0.0033898 k( 251) = ( 0.5192207 0.5192207 0.4615586), wk = 0.0033898 k( 252) = ( 0.5144155 0.5144155 0.4711689), wk = 0.0033898 k( 253) = ( 0.5096103 0.5096103 0.4807793), wk = 0.0033898 k( 254) = ( 0.5048052 0.5048052 0.4903896), wk = 0.0033898 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033898 k( 256) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033898 k( 257) = ( 0.5039427 0.0108492 0.0108492), wk = 0.0033898 k( 258) = ( 0.5078854 0.0216983 0.0216983), wk = 0.0033898 k( 259) = ( 0.5118281 0.0325475 0.0325475), wk = 0.0033898 k( 260) = ( 0.5157708 0.0433966 0.0433966), wk = 0.0033898 k( 261) = ( 0.5197135 0.0542458 0.0542458), wk = 0.0033898 k( 262) = ( 0.5236562 0.0650950 0.0650950), wk = 0.0033898 k( 263) = ( 0.5275990 0.0759441 0.0759441), wk = 0.0033898 k( 264) = ( 0.5315417 0.0867933 0.0867933), wk = 0.0033898 k( 265) = ( 0.5354844 0.0976424 0.0976424), wk = 0.0033898 k( 266) = ( 0.5394271 0.1084916 0.1084916), wk = 0.0033898 k( 267) = ( 0.5433698 0.1193407 0.1193407), wk = 0.0033898 k( 268) = ( 0.5473125 0.1301899 0.1301899), wk = 0.0033898 k( 269) = ( 0.5512552 0.1410391 0.1410391), wk = 0.0033898 k( 270) = ( 0.5551979 0.1518882 0.1518882), wk = 0.0033898 k( 271) = ( 0.5591406 0.1627374 0.1627374), wk = 0.0033898 k( 272) = ( 0.5630833 0.1735866 0.1735866), wk = 0.0033898 k( 273) = ( 0.5670260 0.1844357 0.1844357), wk = 0.0033898 k( 274) = ( 0.5709687 0.1952849 0.1952849), wk = 0.0033898 k( 275) = ( 0.5749114 0.2061340 0.2061340), wk = 0.0033898 k( 276) = ( 0.5788541 0.2169832 0.2169832), wk = 0.0033898 k( 277) = ( 0.5827969 0.2278323 0.2278323), wk = 0.0033898 k( 278) = ( 0.5867396 0.2386815 0.2386815), wk = 0.0033898 k( 279) = ( 0.5906823 0.2495307 0.2495307), wk = 0.0033898 k( 280) = ( 0.5946250 0.2603798 0.2603798), wk = 0.0033898 k( 281) = ( 0.5985677 0.2712290 0.2712290), wk = 0.0033898 k( 282) = ( 0.6025104 0.2820781 0.2820781), wk = 0.0033898 k( 283) = ( 0.6064531 0.2929273 0.2929273), wk = 0.0033898 k( 284) = ( 0.6103958 0.3037765 0.3037765), wk = 0.0033898 k( 285) = ( 0.6143385 0.3146256 0.3146256), wk = 0.0033898 k( 286) = ( 0.6182812 0.3254748 0.3254748), wk = 0.0033898 k( 287) = ( 0.6222239 0.3363239 0.3363239), wk = 0.0033898 k( 288) = ( 0.6261666 0.3471731 0.3471731), wk = 0.0033898 k( 289) = ( 0.6301093 0.3580223 0.3580223), wk = 0.0033898 k( 290) = ( 0.6340520 0.3688714 0.3688714), wk = 0.0033898 k( 291) = ( 0.6379948 0.3797206 0.3797206), wk = 0.0033898 k( 292) = ( 0.6419375 0.3905697 0.3905697), wk = 0.0033898 k( 293) = ( 0.6458802 0.4014189 0.4014189), wk = 0.0033898 k( 294) = ( 0.6498229 0.4122680 0.4122680), wk = 0.0033898 k( 295) = ( 0.6537656 0.4231172 0.4231172), wk = 0.0033898 Dense grid: 52869 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 23341 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 136, 40) NL pseudopotentials 0.09 Mb ( 68, 90) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 1102) G-vector shells 0.01 Mb ( 935) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 136, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.11 Mb ( 90, 2, 40) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./KNO3.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.8 secs Computing kpt #: 2 total cpu time spent up to now is 42.0 secs Computing kpt #: 3 total cpu time spent up to now is 43.0 secs Computing kpt #: 4 total cpu time spent up to now is 44.0 secs Computing kpt #: 5 total cpu time spent up to now is 45.1 secs Computing kpt #: 6 total cpu time spent up to now is 46.2 secs Computing kpt #: 7 total cpu time spent up to now is 47.3 secs Computing kpt #: 8 total cpu time spent up to now is 48.4 secs Computing kpt #: 9 total cpu time spent up to now is 49.6 secs Computing kpt #: 10 total cpu time spent up to now is 50.8 secs Computing kpt #: 11 total cpu time spent up to now is 52.0 secs Computing kpt #: 12 total cpu time spent up to now is 53.1 secs Computing kpt #: 13 total cpu time spent up to now is 54.3 secs Computing kpt #: 14 total cpu time spent up to now is 55.5 secs Computing kpt #: 15 total cpu time spent up to now is 56.7 secs Computing kpt #: 16 total cpu time spent up to now is 57.9 secs Computing kpt #: 17 total cpu time spent up to now is 59.1 secs Computing kpt #: 18 total cpu time spent up to now is 60.3 secs Computing kpt #: 19 total cpu time spent up to now is 61.6 secs Computing kpt #: 20 total cpu time spent up to now is 62.8 secs Computing kpt #: 21 total cpu time spent up to now is 64.0 secs Computing kpt #: 22 total cpu time spent up to now is 65.3 secs Computing kpt #: 23 total cpu time spent up to now is 66.5 secs Computing kpt #: 24 total cpu time spent up to now is 67.8 secs Computing kpt #: 25 total cpu time spent up to now is 69.1 secs Computing kpt #: 26 total cpu time spent up to now is 70.3 secs Computing kpt #: 27 total cpu time spent up to now is 71.6 secs Computing kpt #: 28 total cpu time spent up to now is 72.9 secs Computing kpt #: 29 total cpu time spent up to now is 74.3 secs Computing kpt #: 30 total cpu time spent up to now is 75.6 secs Computing kpt #: 31 total cpu time spent up to now is 76.9 secs Computing kpt #: 32 total cpu time spent up to now is 78.2 secs Computing kpt #: 33 total cpu time spent up to now is 79.6 secs Computing kpt #: 34 total cpu time spent up to now is 81.1 secs Computing kpt #: 35 total cpu time spent up to now is 82.4 secs Computing kpt #: 36 total cpu time spent up to now is 83.7 secs Computing kpt #: 37 total cpu time spent up to now is 85.0 secs Computing kpt #: 38 total cpu time spent up to now is 86.3 secs Computing kpt #: 39 total cpu time spent up to now is 87.7 secs Computing kpt #: 40 total cpu time spent up to now is 88.9 secs Computing kpt #: 41 total cpu time spent up to now is 90.2 secs Computing kpt #: 42 total cpu time spent up to now is 91.6 secs Computing kpt #: 43 total cpu time spent up to now is 93.0 secs Computing kpt #: 44 total cpu time spent up to now is 94.3 secs Computing kpt #: 45 total cpu time spent up to now is 95.6 secs Computing kpt #: 46 total cpu time spent up to now is 97.0 secs Computing kpt #: 47 total cpu time spent up to now is 99.3 secs Computing kpt #: 48 total cpu time spent up to now is 101.4 secs Computing kpt #: 49 total cpu time spent up to now is 103.5 secs Computing kpt #: 50 total cpu time spent up to now is 105.0 secs Computing kpt #: 51 total cpu time spent up to now is 106.3 secs Computing kpt #: 52 total cpu time spent up to now is 107.7 secs Computing kpt #: 53 total cpu time spent up to now is 109.5 secs Computing kpt #: 54 total cpu time spent up to now is 110.8 secs Computing kpt #: 55 total cpu time spent up to now is 112.2 secs Computing kpt #: 56 total cpu time spent up to now is 113.5 secs Computing kpt #: 57 total cpu time spent up to now is 114.8 secs Computing kpt #: 58 total cpu time spent up to now is 116.0 secs Computing kpt #: 59 total cpu time spent up to now is 117.3 secs Computing kpt #: 60 total cpu time spent up to now is 118.7 secs Computing kpt #: 61 total cpu time spent up to now is 120.0 secs Computing kpt #: 62 total cpu time spent up to now is 121.4 secs Computing kpt #: 63 total cpu time spent up to now is 122.7 secs Computing kpt #: 64 total cpu time spent up to now is 124.0 secs Computing kpt #: 65 total cpu time spent up to now is 125.2 secs Computing kpt #: 66 total cpu time spent up to now is 126.5 secs Computing kpt #: 67 total cpu time spent up to now is 127.8 secs Computing kpt #: 68 total cpu time spent up to now is 129.2 secs Computing kpt #: 69 total cpu time spent up to now is 130.5 secs Computing kpt #: 70 total cpu time spent up to now is 131.9 secs Computing kpt #: 71 total cpu time spent up to now is 133.3 secs Computing kpt #: 72 total cpu time spent up to now is 134.9 secs Computing kpt #: 73 total cpu time spent up to now is 136.5 secs Computing kpt #: 74 total cpu time spent up to now is 137.9 secs Computing kpt #: 75 total cpu time spent up to now is 139.8 secs Computing kpt #: 76 total cpu time spent up to now is 141.1 secs Computing kpt #: 77 total cpu time spent up to now is 142.6 secs Computing kpt #: 78 total cpu time spent up to now is 144.0 secs Computing kpt #: 79 total cpu time spent up to now is 145.4 secs Computing kpt #: 80 total cpu time spent up to now is 146.8 secs Computing kpt #: 81 total cpu time spent up to now is 148.2 secs Computing kpt #: 82 total cpu time spent up to now is 149.6 secs Computing kpt #: 83 total cpu time spent up to now is 151.0 secs Computing kpt #: 84 total cpu time spent up to now is 152.4 secs Computing kpt #: 85 total cpu time spent up to now is 153.9 secs Computing kpt #: 86 total cpu time spent up to now is 155.3 secs Computing kpt #: 87 total cpu time spent up to now is 156.7 secs Computing kpt #: 88 total cpu time spent up to now is 158.2 secs Computing kpt #: 89 total cpu time spent up to now is 160.1 secs Computing kpt #: 90 total cpu time spent up to now is 161.7 secs Computing kpt #: 91 total cpu time spent up to now is 163.3 secs Computing kpt #: 92 total cpu time spent up to now is 165.2 secs Computing kpt #: 93 total cpu time spent up to now is 167.2 secs Computing kpt #: 94 total cpu time spent up to now is 169.0 secs Computing kpt #: 95 total cpu time spent up to now is 170.6 secs Computing kpt #: 96 total cpu time spent up to now is 172.2 secs Computing kpt #: 97 total cpu time spent up to now is 173.8 secs Computing kpt #: 98 total cpu time spent up to now is 175.5 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.8 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.0 secs Computing kpt #: 101 total cpu time spent up to now is 181.6 secs Computing kpt #: 102 total cpu time spent up to now is 183.2 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 185.6 secs Computing kpt #: 104 total cpu time spent up to now is 187.2 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.6 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.2 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.6 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.0 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.5 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 201.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.3 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 206.7 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.1 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.5 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.7 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.1 secs Computing kpt #: 117 total cpu time spent up to now is 217.8 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.1 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.4 secs Computing kpt #: 120 total cpu time spent up to now is 223.9 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.2 secs Computing kpt #: 122 total cpu time spent up to now is 227.7 secs Computing kpt #: 123 total cpu time spent up to now is 229.3 secs Computing kpt #: 124 total cpu time spent up to now is 230.8 secs Computing kpt #: 125 total cpu time spent up to now is 232.4 secs Computing kpt #: 126 total cpu time spent up to now is 233.7 secs Computing kpt #: 127 total cpu time spent up to now is 235.3 secs Computing kpt #: 128 total cpu time spent up to now is 236.6 secs Computing kpt #: 129 total cpu time spent up to now is 238.1 secs Computing kpt #: 130 total cpu time spent up to now is 239.6 secs Computing kpt #: 131 total cpu time spent up to now is 241.0 secs Computing kpt #: 132 total cpu time spent up to now is 242.4 secs Computing kpt #: 133 total cpu time spent up to now is 243.7 secs Computing kpt #: 134 total cpu time spent up to now is 245.1 secs Computing kpt #: 135 total cpu time spent up to now is 246.5 secs Computing kpt #: 136 total cpu time spent up to now is 247.8 secs Computing kpt #: 137 total cpu time spent up to now is 249.0 secs Computing kpt #: 138 total cpu time spent up to now is 250.2 secs Computing kpt #: 139 total cpu time spent up to now is 251.4 secs Computing kpt #: 140 total cpu time spent up to now is 252.6 secs Computing kpt #: 141 total cpu time spent up to now is 253.8 secs Computing kpt #: 142 total cpu time spent up to now is 255.0 secs Computing kpt #: 143 total cpu time spent up to now is 256.1 secs Computing kpt #: 144 total cpu time spent up to now is 257.2 secs Computing kpt #: 145 total cpu time spent up to now is 258.4 secs Computing kpt #: 146 total cpu time spent up to now is 259.5 secs Computing kpt #: 147 total cpu time spent up to now is 260.6 secs Computing kpt #: 148 total cpu time spent up to now is 261.7 secs Computing kpt #: 149 total cpu time spent up to now is 262.8 secs Computing kpt #: 150 total cpu time spent up to now is 263.9 secs Computing kpt #: 151 total cpu time spent up to now is 265.0 secs Computing kpt #: 152 total cpu time spent up to now is 266.1 secs Computing kpt #: 153 total cpu time spent up to now is 267.2 secs Computing kpt #: 154 total cpu time spent up to now is 268.3 secs Computing kpt #: 155 total cpu time spent up to now is 269.4 secs Computing kpt #: 156 total cpu time spent up to now is 270.4 secs Computing kpt #: 157 total cpu time spent up to now is 271.6 secs Computing kpt #: 158 total cpu time spent up to now is 272.7 secs Computing kpt #: 159 total cpu time spent up to now is 273.8 secs Computing kpt #: 160 total cpu time spent up to now is 274.8 secs Computing kpt #: 161 total cpu time spent up to now is 275.9 secs Computing kpt #: 162 total cpu time spent up to now is 277.0 secs Computing kpt #: 163 total cpu time spent up to now is 278.2 secs Computing kpt #: 164 total cpu time spent up to now is 279.4 secs Computing kpt #: 165 total cpu time spent up to now is 280.5 secs Computing kpt #: 166 total cpu time spent up to now is 281.8 secs Computing kpt #: 167 total cpu time spent up to now is 283.0 secs Computing kpt #: 168 total cpu time spent up to now is 284.4 secs Computing kpt #: 169 total cpu time spent up to now is 285.6 secs Computing kpt #: 170 total cpu time spent up to now is 286.9 secs Computing kpt #: 171 total cpu time spent up to now is 288.1 secs Computing kpt #: 172 total cpu time spent up to now is 289.4 secs Computing kpt #: 173 total cpu time spent up to now is 290.6 secs Computing kpt #: 174 total cpu time spent up to now is 291.9 secs Computing kpt #: 175 total cpu time spent up to now is 293.1 secs Computing kpt #: 176 total cpu time spent up to now is 294.4 secs Computing kpt #: 177 total cpu time spent up to now is 295.7 secs Computing kpt #: 178 total cpu time spent up to now is 297.0 secs Computing kpt #: 179 total cpu time spent up to now is 298.2 secs Computing kpt #: 180 total cpu time spent up to now is 299.4 secs Computing kpt #: 181 total cpu time spent up to now is 300.7 secs Computing kpt #: 182 total cpu time spent up to now is 302.0 secs Computing kpt #: 183 total cpu time spent up to now is 303.2 secs Computing kpt #: 184 total cpu time spent up to now is 304.4 secs Computing kpt #: 185 total cpu time spent up to now is 305.7 secs Computing kpt #: 186 total cpu time spent up to now is 307.0 secs Computing kpt #: 187 total cpu time spent up to now is 308.3 secs Computing kpt #: 188 total cpu time spent up to now is 309.6 secs Computing kpt #: 189 total cpu time spent up to now is 311.0 secs Computing kpt #: 190 total cpu time spent up to now is 312.2 secs Computing kpt #: 191 total cpu time spent up to now is 313.6 secs Computing kpt #: 192 total cpu time spent up to now is 314.9 secs Computing kpt #: 193 total cpu time spent up to now is 316.2 secs Computing kpt #: 194 total cpu time spent up to now is 317.5 secs Computing kpt #: 195 total cpu time spent up to now is 318.8 secs Computing kpt #: 196 total cpu time spent up to now is 320.2 secs Computing kpt #: 197 total cpu time spent up to now is 321.6 secs Computing kpt #: 198 total cpu time spent up to now is 322.9 secs Computing kpt #: 199 total cpu time spent up to now is 324.2 secs Computing kpt #: 200 total cpu time spent up to now is 325.6 secs Computing kpt #: 201 total cpu time spent up to now is 327.0 secs Computing kpt #: 202 total cpu time spent up to now is 328.3 secs Computing kpt #: 203 total cpu time spent up to now is 329.5 secs Computing kpt #: 204 total cpu time spent up to now is 330.8 secs Computing kpt #: 205 total cpu time spent up to now is 332.0 secs Computing kpt #: 206 total cpu time spent up to now is 333.2 secs Computing kpt #: 207 total cpu time spent up to now is 334.3 secs Computing kpt #: 208 total cpu time spent up to now is 335.5 secs Computing kpt #: 209 total cpu time spent up to now is 336.6 secs Computing kpt #: 210 total cpu time spent up to now is 337.7 secs Computing kpt #: 211 total cpu time spent up to now is 338.8 secs Computing kpt #: 212 total cpu time spent up to now is 339.8 secs Computing kpt #: 213 total cpu time spent up to now is 340.9 secs Computing kpt #: 214 total cpu time spent up to now is 342.0 secs Computing kpt #: 215 total cpu time spent up to now is 343.0 secs Computing kpt #: 216 total cpu time spent up to now is 344.1 secs Computing kpt #: 217 total cpu time spent up to now is 345.2 secs Computing kpt #: 218 total cpu time spent up to now is 346.3 secs Computing kpt #: 219 total cpu time spent up to now is 347.4 secs Computing kpt #: 220 total cpu time spent up to now is 348.4 secs Computing kpt #: 221 total cpu time spent up to now is 349.5 secs Computing kpt #: 222 total cpu time spent up to now is 350.7 secs Computing kpt #: 223 total cpu time spent up to now is 351.8 secs Computing kpt #: 224 total cpu time spent up to now is 352.9 secs Computing kpt #: 225 total cpu time spent up to now is 354.0 secs Computing kpt #: 226 total cpu time spent up to now is 355.2 secs Computing kpt #: 227 total cpu time spent up to now is 356.4 secs Computing kpt #: 228 total cpu time spent up to now is 357.6 secs Computing kpt #: 229 total cpu time spent up to now is 358.8 secs Computing kpt #: 230 total cpu time spent up to now is 359.9 secs Computing kpt #: 231 total cpu time spent up to now is 361.2 secs Computing kpt #: 232 total cpu time spent up to now is 362.5 secs Computing kpt #: 233 total cpu time spent up to now is 363.7 secs Computing kpt #: 234 total cpu time spent up to now is 365.0 secs Computing kpt #: 235 total cpu time spent up to now is 366.3 secs Computing kpt #: 236 total cpu time spent up to now is 367.7 secs Computing kpt #: 237 total cpu time spent up to now is 369.2 secs Computing kpt #: 238 total cpu time spent up to now is 370.7 secs Computing kpt #: 239 total cpu time spent up to now is 372.0 secs Computing kpt #: 240 total cpu time spent up to now is 373.5 secs Computing kpt #: 241 total cpu time spent up to now is 375.0 secs Computing kpt #: 242 total cpu time spent up to now is 376.4 secs Computing kpt #: 243 total cpu time spent up to now is 378.0 secs Computing kpt #: 244 total cpu time spent up to now is 379.6 secs Computing kpt #: 245 total cpu time spent up to now is 381.5 secs Computing kpt #: 246 total cpu time spent up to now is 383.1 secs Computing kpt #: 247 total cpu time spent up to now is 385.1 secs Computing kpt #: 248 total cpu time spent up to now is 387.0 secs Computing kpt #: 249 total cpu time spent up to now is 389.0 secs Computing kpt #: 250 total cpu time spent up to now is 390.6 secs Computing kpt #: 251 total cpu time spent up to now is 392.3 secs Computing kpt #: 252 total cpu time spent up to now is 394.3 secs Computing kpt #: 253 total cpu time spent up to now is 395.9 secs Computing kpt #: 254 total cpu time spent up to now is 397.7 secs Computing kpt #: 255 total cpu time spent up to now is 400.1 secs Computing kpt #: 256 total cpu time spent up to now is 402.0 secs Computing kpt #: 257 total cpu time spent up to now is 403.9 secs Computing kpt #: 258 total cpu time spent up to now is 405.3 secs Computing kpt #: 259 total cpu time spent up to now is 406.7 secs Computing kpt #: 260 total cpu time spent up to now is 408.0 secs Computing kpt #: 261 total cpu time spent up to now is 409.5 secs Computing kpt #: 262 total cpu time spent up to now is 411.0 secs Computing kpt #: 263 total cpu time spent up to now is 412.3 secs Computing kpt #: 264 total cpu time spent up to now is 413.8 secs Computing kpt #: 265 total cpu time spent up to now is 415.2 secs Computing kpt #: 266 total cpu time spent up to now is 416.6 secs Computing kpt #: 267 total cpu time spent up to now is 417.9 secs Computing kpt #: 268 total cpu time spent up to now is 419.4 secs Computing kpt #: 269 total cpu time spent up to now is 420.8 secs Computing kpt #: 270 total cpu time spent up to now is 422.2 secs Computing kpt #: 271 total cpu time spent up to now is 423.6 secs Computing kpt #: 272 total cpu time spent up to now is 425.0 secs Computing kpt #: 273 total cpu time spent up to now is 426.4 secs Computing kpt #: 274 total cpu time spent up to now is 428.0 secs Computing kpt #: 275 total cpu time spent up to now is 429.6 secs Computing kpt #: 276 total cpu time spent up to now is 431.3 secs Computing kpt #: 277 total cpu time spent up to now is 433.1 secs Computing kpt #: 278 total cpu time spent up to now is 435.1 secs Computing kpt #: 279 total cpu time spent up to now is 436.9 secs Computing kpt #: 280 total cpu time spent up to now is 439.1 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 441.6 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 444.0 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.5 secs Computing kpt #: 284 total cpu time spent up to now is 448.5 secs Computing kpt #: 285 total cpu time spent up to now is 450.2 secs Computing kpt #: 286 total cpu time spent up to now is 451.8 secs Computing kpt #: 287 total cpu time spent up to now is 453.4 secs Computing kpt #: 288 total cpu time spent up to now is 454.8 secs Computing kpt #: 289 total cpu time spent up to now is 456.3 secs Computing kpt #: 290 total cpu time spent up to now is 457.8 secs Computing kpt #: 291 total cpu time spent up to now is 459.2 secs Computing kpt #: 292 total cpu time spent up to now is 460.8 secs Computing kpt #: 293 total cpu time spent up to now is 462.4 secs Computing kpt #: 294 total cpu time spent up to now is 463.9 secs Computing kpt #: 295 total cpu time spent up to now is 465.5 secs ethr = 3.13E-11, avg # of iterations = 54.7 total cpu time spent up to now is 465.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2923 PWs) bands (ev): -25.8777 -25.8777 -23.5737 -23.5737 -17.7816 -17.7816 -17.7794 -17.7794 -9.5374 -9.5374 -9.2883 -9.2883 -9.2519 -9.2519 -7.7416 -7.7416 -5.4617 -5.4617 -4.9904 -4.9904 -4.9858 -4.9858 -0.3740 -0.3740 -0.3667 -0.3667 0.7646 0.7646 0.7798 0.7798 2.0091 2.0091 4.1835 4.1835 7.9908 7.9908 9.9917 9.9917 9.9940 9.9940 k = 0.0132-0.0030-0.0025 ( 2919 PWs) bands (ev): -25.8777 -25.8777 -23.5737 -23.5737 -17.7816 -17.7816 -17.7794 -17.7794 -9.5392 -9.5357 -9.2906 -9.2864 -9.2520 -9.2520 -7.7414 -7.7407 -5.4618 -5.4618 -4.9905 -4.9905 -4.9858 -4.9858 -0.3740 -0.3739 -0.3667 -0.3666 0.7643 0.7643 0.7794 0.7795 2.0086 2.0087 4.1835 4.1839 7.9924 7.9927 9.9926 9.9928 9.9951 9.9951 k = 0.0263-0.0060-0.0050 ( 2920 PWs) bands (ev): -25.8777 -25.8777 -23.5737 -23.5737 -17.7818 -17.7817 -17.7795 -17.7795 -9.5412 -9.5343 -9.2932 -9.2848 -9.2522 -9.2521 -7.7400 -7.7385 -5.4620 -5.4620 -4.9907 -4.9907 -4.9859 -4.9859 -0.3741 -0.3739 -0.3667 -0.3666 0.7633 0.7634 0.7785 0.7786 2.0072 2.0075 4.1840 4.1847 7.9975 7.9982 9.9951 9.9953 9.9986 9.9987 k = 0.0395-0.0090-0.0075 ( 2916 PWs) bands (ev): -25.8775 -25.8775 -23.5737 -23.5737 -17.7819 -17.7819 -17.7796 -17.7796 -9.5434 -9.5330 -9.2961 -9.2835 -9.2525 -9.2523 -7.7373 -7.7352 -5.4624 -5.4623 -4.9912 -4.9911 -4.9859 -4.9858 -0.3742 -0.3739 -0.3668 -0.3666 0.7617 0.7618 0.7771 0.7772 2.0051 2.0055 4.1849 4.1859 8.0062 8.0072 9.9987 9.9989 10.0049 10.0051 k = 0.0526-0.0120-0.0100 ( 2916 PWs) bands (ev): -25.8774 -25.8774 -23.5737 -23.5737 -17.7822 -17.7822 -17.7797 -17.7797 -9.5458 -9.5320 -9.2993 -9.2826 -9.2529 -9.2526 -7.7336 -7.7308 -5.4629 -5.4628 -4.9921 -4.9920 -4.9857 -4.9856 -0.3743 -0.3740 -0.3669 -0.3667 0.7593 0.7594 0.7754 0.7755 2.0021 2.0026 4.1862 4.1875 8.0184 8.0197 10.0034 10.0036 10.0140 10.0143 k = 0.0658-0.0150-0.0125 ( 2918 PWs) bands (ev): -25.8772 -25.8772 -23.5738 -23.5738 -17.7827 -17.7827 -17.7798 -17.7798 -9.5483 -9.5312 -9.3028 -9.2819 -9.2535 -9.2530 -7.7287 -7.7253 -5.4635 -5.4634 -4.9935 -4.9934 -4.9851 -4.9851 -0.3745 -0.3741 -0.3670 -0.3667 0.7561 0.7562 0.7734 0.7735 1.9983 1.9990 4.1880 4.1895 8.0341 8.0357 10.0092 10.0095 10.0257 10.0261 k = 0.0789-0.0180-0.0150 ( 2918 PWs) bands (ev): -25.8770 -25.8770 -23.5738 -23.5738 -17.7833 -17.7833 -17.7799 -17.7799 -9.5510 -9.5307 -9.3066 -9.2816 -9.2542 -9.2534 -7.7227 -7.7187 -5.4642 -5.4641 -4.9954 -4.9952 -4.9843 -4.9843 -0.3748 -0.3743 -0.3672 -0.3668 0.7519 0.7520 0.7714 0.7714 1.9938 1.9945 4.1900 4.1919 8.0532 8.0551 10.0161 10.0165 10.0400 10.0404 k = 0.0921-0.0210-0.0175 ( 2924 PWs) bands (ev): -25.8767 -25.8767 -23.5739 -23.5739 -17.7840 -17.7840 -17.7799 -17.7799 -9.5537 -9.5304 -9.3106 -9.2816 -9.2551 -9.2538 -7.7156 -7.7111 -5.4651 -5.4649 -4.9977 -4.9974 -4.9833 -4.9832 -0.3751 -0.3746 -0.3675 -0.3670 0.7469 0.7470 0.7693 0.7693 1.9884 1.9893 4.1924 4.1945 8.0756 8.0778 10.0240 10.0244 10.0567 10.0573 k = 0.1053-0.0240-0.0199 ( 2928 PWs) bands (ev): -25.8764 -25.8764 -23.5739 -23.5739 -17.7849 -17.7849 -17.7799 -17.7799 -9.5566 -9.5304 -9.3147 -9.2818 -9.2560 -9.2543 -7.7076 -7.7025 -5.4660 -5.4659 -5.0003 -5.0000 -4.9820 -4.9820 -0.3755 -0.3749 -0.3678 -0.3672 0.7411 0.7413 0.7670 0.7671 1.9824 1.9834 4.1952 4.1975 8.1013 8.1038 10.0327 10.0331 10.0758 10.0765 k = 0.1184-0.0270-0.0224 ( 2926 PWs) bands (ev): -25.8761 -25.8761 -23.5740 -23.5740 -17.7859 -17.7859 -17.7798 -17.7798 -9.5596 -9.5307 -9.3190 -9.2824 -9.2570 -9.2548 -7.6986 -7.6931 -5.4670 -5.4668 -5.0033 -5.0030 -4.9806 -4.9806 -0.3760 -0.3753 -0.3682 -0.3676 0.7347 0.7349 0.7647 0.7649 1.9758 1.9769 4.1982 4.2007 8.1302 8.1330 10.0421 10.0425 10.0973 10.0980 k = 0.1316-0.0300-0.0249 ( 2922 PWs) bands (ev): -25.8757 -25.8757 -23.5741 -23.5741 -17.7870 -17.7870 -17.7798 -17.7798 -9.5626 -9.5312 -9.3233 -9.2833 -9.2580 -9.2553 -7.6888 -7.6828 -5.4680 -5.4679 -5.0067 -5.0063 -4.9791 -4.9790 -0.3765 -0.3759 -0.3688 -0.3681 0.7278 0.7281 0.7624 0.7626 1.9685 1.9697 4.2014 4.2041 8.1623 8.1652 10.0520 10.0524 10.1210 10.1218 k = 0.1447-0.0330-0.0274 ( 2920 PWs) bands (ev): -25.8753 -25.8753 -23.5741 -23.5741 -17.7882 -17.7882 -17.7797 -17.7797 -9.5657 -9.5320 -9.3277 -9.2845 -9.2591 -9.2558 -7.6782 -7.6719 -5.4691 -5.4690 -5.0103 -5.0100 -4.9774 -4.9773 -0.3772 -0.3765 -0.3695 -0.3687 0.7205 0.7209 0.7599 0.7602 1.9606 1.9619 4.2048 4.2077 8.1972 8.2005 10.0622 10.0626 10.1469 10.1477 k = 0.1579-0.0360-0.0299 ( 2914 PWs) bands (ev): -25.8749 -25.8749 -23.5742 -23.5742 -17.7895 -17.7895 -17.7796 -17.7796 -9.5689 -9.5331 -9.3320 -9.2860 -9.2601 -9.2564 -7.6669 -7.6602 -5.4702 -5.4701 -5.0143 -5.0139 -4.9755 -4.9755 -0.3780 -0.3772 -0.3704 -0.3696 0.7131 0.7134 0.7573 0.7577 1.9523 1.9537 4.2083 4.2114 8.2351 8.2385 10.0725 10.0730 10.1747 10.1756 k = 0.1711-0.0390-0.0324 ( 2913 PWs) bands (ev): -25.8744 -25.8744 -23.5743 -23.5743 -17.7909 -17.7908 -17.7795 -17.7795 -9.5721 -9.5345 -9.3363 -9.2879 -9.2611 -9.2569 -7.6549 -7.6480 -5.4714 -5.4712 -5.0185 -5.0181 -4.9736 -4.9736 -0.3790 -0.3781 -0.3715 -0.3707 0.7054 0.7059 0.7546 0.7550 1.9435 1.9449 4.2120 4.2152 8.2756 8.2793 10.0829 10.0832 10.2045 10.2054 k = 0.1842-0.0420-0.0349 ( 2917 PWs) bands (ev): -25.8739 -25.8739 -23.5744 -23.5744 -17.7923 -17.7923 -17.7794 -17.7794 -9.5753 -9.5363 -9.3404 -9.2900 -9.2620 -9.2575 -7.6425 -7.6354 -5.4725 -5.4723 -5.0230 -5.0226 -4.9716 -4.9715 -0.3802 -0.3792 -0.3727 -0.3720 0.6978 0.6983 0.7519 0.7523 1.9343 1.9358 4.2157 4.2191 8.3187 8.3226 10.0930 10.0933 10.2360 10.2370 k = 0.1974-0.0449-0.0374 ( 2910 PWs) bands (ev): -25.8734 -25.8734 -23.5745 -23.5745 -17.7938 -17.7938 -17.7793 -17.7793 -9.5785 -9.5383 -9.3444 -9.2924 -9.2628 -9.2581 -7.6295 -7.6223 -5.4736 -5.4734 -5.0277 -5.0274 -4.9695 -4.9694 -0.3817 -0.3806 -0.3740 -0.3734 0.6904 0.6909 0.7490 0.7495 1.9247 1.9263 4.2195 4.2229 8.3642 8.3682 10.1028 10.1030 10.2691 10.2702 k = 0.2105-0.0479-0.0399 ( 2912 PWs) bands (ev): -25.8729 -25.8729 -23.5746 -23.5746 -17.7953 -17.7953 -17.7791 -17.7791 -9.5816 -9.5406 -9.3482 -9.2951 -9.2636 -9.2587 -7.6163 -7.6089 -5.4746 -5.4745 -5.0327 -5.0323 -4.9673 -4.9672 -0.3836 -0.3823 -0.3753 -0.3748 0.6831 0.6836 0.7461 0.7467 1.9149 1.9166 4.2232 4.2267 8.4117 8.4159 10.1121 10.1123 10.3037 10.3048 k = 0.2237-0.0509-0.0424 ( 2919 PWs) bands (ev): -25.8724 -25.8724 -23.5746 -23.5746 -17.7969 -17.7969 -17.7790 -17.7790 -9.5848 -9.5431 -9.3517 -9.2979 -9.2643 -9.2593 -7.6027 -7.5954 -5.4756 -5.4755 -5.0378 -5.0375 -4.9651 -4.9650 -0.3859 -0.3846 -0.3765 -0.3761 0.6761 0.6766 0.7432 0.7437 1.9049 1.9066 4.2269 4.2305 8.4612 8.4655 10.1208 10.1209 10.3396 10.3407 k = 0.2368-0.0539-0.0449 ( 2915 PWs) bands (ev): -25.8719 -25.8719 -23.5747 -23.5747 -17.7985 -17.7984 -17.7789 -17.7789 -9.5878 -9.5459 -9.3550 -9.3009 -9.2650 -9.2599 -7.5890 -7.5817 -5.4765 -5.4764 -5.0431 -5.0428 -4.9628 -4.9627 -0.3888 -0.3874 -0.3776 -0.3772 0.6695 0.6700 0.7402 0.7408 1.8948 1.8965 4.2306 4.2342 8.5124 8.5169 10.1289 10.1290 10.3766 10.3776 k = 0.2500-0.0569-0.0474 ( 2912 PWs) bands (ev): -25.8714 -25.8714 -23.5748 -23.5748 -17.8001 -17.8000 -17.7787 -17.7787 -9.5908 -9.5490 -9.3580 -9.3041 -9.2656 -9.2605 -7.5753 -7.5679 -5.4773 -5.4772 -5.0486 -5.0483 -4.9605 -4.9604 -0.3921 -0.3907 -0.3786 -0.3782 0.6633 0.6639 0.7372 0.7378 1.8847 1.8863 4.2342 4.2377 8.5650 8.5695 10.1363 10.1365 10.4144 10.4155 k = 0.2632-0.0599-0.0499 ( 2908 PWs) bands (ev): -25.8708 -25.8708 -23.5749 -23.5749 -17.8017 -17.8016 -17.7786 -17.7786 -9.5937 -9.5523 -9.3606 -9.3074 -9.2661 -9.2611 -7.5615 -7.5543 -5.4779 -5.4779 -5.0541 -5.0539 -4.9582 -4.9581 -0.3960 -0.3945 -0.3794 -0.3791 0.6576 0.6581 0.7342 0.7348 1.8745 1.8762 4.2377 4.2412 8.6187 8.6233 10.1430 10.1434 10.4529 10.4540 k = 0.2763-0.0629-0.0524 ( 2905 PWs) bands (ev): -25.8703 -25.8703 -23.5750 -23.5750 -17.8032 -17.8032 -17.7785 -17.7785 -9.5964 -9.5557 -9.3630 -9.3107 -9.2666 -9.2617 -7.5479 -7.5408 -5.4785 -5.4785 -5.0597 -5.0595 -4.9559 -4.9559 -0.4002 -0.3987 -0.3802 -0.3799 0.6524 0.6529 0.7312 0.7318 1.8644 1.8661 4.2410 4.2445 8.6731 8.6778 10.1493 10.1498 10.4919 10.4930 k = 0.2895-0.0659-0.0549 ( 2905 PWs) bands (ev): -25.8698 -25.8698 -23.5751 -23.5751 -17.8048 -17.8048 -17.7783 -17.7783 -9.5990 -9.5593 -9.3651 -9.3141 -9.2670 -9.2623 -7.5344 -7.5275 -5.4790 -5.4790 -5.0654 -5.0652 -4.9537 -4.9536 -0.4047 -0.4033 -0.3809 -0.3806 0.6477 0.6482 0.7283 0.7289 1.8545 1.8561 4.2443 4.2476 8.7280 8.7328 10.1551 10.1558 10.5311 10.5322 k = 0.3026-0.0689-0.0574 ( 2903 PWs) bands (ev): -25.8693 -25.8693 -23.5752 -23.5752 -17.8063 -17.8063 -17.7782 -17.7782 -9.6015 -9.5631 -9.3668 -9.3175 -9.2674 -9.2629 -7.5213 -7.5146 -5.4794 -5.4793 -5.0710 -5.0709 -4.9514 -4.9514 -0.4095 -0.4082 -0.3816 -0.3813 0.6435 0.6440 0.7254 0.7260 1.8448 1.8464 4.2473 4.2506 8.7829 8.7877 10.1606 10.1615 10.5702 10.5713 k = 0.3158-0.0719-0.0598 ( 2902 PWs) bands (ev): -25.8688 -25.8688 -23.5753 -23.5753 -17.8078 -17.8078 -17.7781 -17.7781 -9.6038 -9.5669 -9.3682 -9.3209 -9.2678 -9.2635 -7.5085 -7.5021 -5.4796 -5.4796 -5.0766 -5.0766 -4.9493 -4.9492 -0.4145 -0.4132 -0.3821 -0.3819 0.6399 0.6404 0.7226 0.7232 1.8353 1.8369 4.2502 4.2534 8.8374 8.8421 10.1659 10.1670 10.6090 10.6100 k = 0.3289-0.0749-0.0623 ( 2904 PWs) bands (ev): -25.8683 -25.8683 -23.5754 -23.5754 -17.8093 -17.8093 -17.7780 -17.7780 -9.6059 -9.5707 -9.3693 -9.3243 -9.2681 -9.2640 -7.4962 -7.4901 -5.4797 -5.4797 -5.0821 -5.0821 -4.9472 -4.9471 -0.4196 -0.4184 -0.3827 -0.3824 0.6367 0.6372 0.7199 0.7205 1.8262 1.8277 4.2530 4.2560 8.8910 8.8957 10.1713 10.1726 10.6472 10.6482 k = 0.3421-0.0779-0.0648 ( 2908 PWs) bands (ev): -25.8679 -25.8679 -23.5755 -23.5755 -17.8107 -17.8106 -17.7778 -17.7778 -9.6078 -9.5746 -9.3702 -9.3277 -9.2684 -9.2646 -7.4844 -7.4787 -5.4798 -5.4797 -5.0875 -5.0875 -4.9452 -4.9451 -0.4248 -0.4237 -0.3832 -0.3830 0.6340 0.6345 0.7173 0.7179 1.8176 1.8190 4.2555 4.2584 8.9433 8.9479 10.1769 10.1784 10.6844 10.6853 k = 0.3553-0.0809-0.0673 ( 2907 PWs) bands (ev): -25.8674 -25.8674 -23.5756 -23.5756 -17.8120 -17.8119 -17.7777 -17.7777 -9.6094 -9.5784 -9.3707 -9.3310 -9.2686 -9.2651 -7.4733 -7.4679 -5.4797 -5.4796 -5.0928 -5.0927 -4.9433 -4.9433 -0.4299 -0.4289 -0.3836 -0.3834 0.6318 0.6322 0.7148 0.7154 1.8093 1.8107 4.2579 4.2605 8.9937 8.9983 10.1828 10.1844 10.7204 10.7213 k = 0.3684-0.0839-0.0698 ( 2914 PWs) bands (ev): -25.8671 -25.8671 -23.5756 -23.5756 -17.8132 -17.8132 -17.7776 -17.7776 -9.6109 -9.5822 -9.3710 -9.3343 -9.2689 -9.2656 -7.4628 -7.4578 -5.4795 -5.4794 -5.0978 -5.0977 -4.9415 -4.9415 -0.4349 -0.4340 -0.3840 -0.3838 0.6299 0.6303 0.7125 0.7131 1.8016 1.8029 4.2600 4.2625 9.0418 9.0462 10.1892 10.1909 10.7548 10.7557 k = 0.3816-0.0869-0.0723 ( 2916 PWs) bands (ev): -25.8667 -25.8667 -23.5757 -23.5757 -17.8143 -17.8143 -17.7775 -17.7775 -9.6121 -9.5858 -9.3710 -9.3375 -9.2690 -9.2661 -7.4531 -7.4486 -5.4793 -5.4791 -5.1025 -5.1024 -4.9399 -4.9398 -0.4397 -0.4389 -0.3844 -0.3842 0.6284 0.6288 0.7104 0.7109 1.7945 1.7957 4.2620 4.2643 9.0870 9.0912 10.1960 10.1978 10.7874 10.7881 k = 0.3947-0.0899-0.0748 ( 2911 PWs) bands (ev): -25.8663 -25.8663 -23.5758 -23.5758 -17.8153 -17.8153 -17.7774 -17.7774 -9.6130 -9.5893 -9.3707 -9.3406 -9.2692 -9.2665 -7.4442 -7.4401 -5.4789 -5.4788 -5.1069 -5.1068 -4.9384 -4.9383 -0.4443 -0.4435 -0.3847 -0.3845 0.6273 0.6275 0.7085 0.7089 1.7880 1.7891 4.2638 4.2659 9.1288 9.1328 10.2033 10.2051 10.8177 10.8184 k = 0.4079-0.0929-0.0773 ( 2911 PWs) bands (ev): -25.8660 -25.8660 -23.5758 -23.5758 -17.8163 -17.8163 -17.7774 -17.7774 -9.6136 -9.5927 -9.3702 -9.3435 -9.2693 -9.2669 -7.4362 -7.4326 -5.4786 -5.4785 -5.1109 -5.1108 -4.9370 -4.9370 -0.4485 -0.4478 -0.3850 -0.3848 0.6263 0.6266 0.7067 0.7071 1.7822 1.7831 4.2654 4.2672 9.1668 9.1705 10.2109 10.2127 10.8454 10.8460 k = 0.4211-0.0959-0.0798 ( 2909 PWs) bands (ev): -25.8658 -25.8658 -23.5759 -23.5759 -17.8171 -17.8171 -17.7773 -17.7773 -9.6140 -9.5959 -9.3695 -9.3464 -9.2693 -9.2673 -7.4291 -7.4260 -5.4782 -5.4781 -5.1145 -5.1144 -4.9358 -4.9358 -0.4522 -0.4516 -0.3852 -0.3851 0.6256 0.6258 0.7052 0.7055 1.7771 1.7779 4.2668 4.2684 9.2006 9.2039 10.2187 10.2203 10.8702 10.8707 k = 0.4342-0.0989-0.0823 ( 2907 PWs) bands (ev): -25.8655 -25.8655 -23.5759 -23.5759 -17.8178 -17.8178 -17.7772 -17.7772 -9.6140 -9.5988 -9.3686 -9.3492 -9.2694 -9.2676 -7.4230 -7.4203 -5.4779 -5.4778 -5.1176 -5.1175 -4.9348 -4.9347 -0.4555 -0.4550 -0.3854 -0.3853 0.6251 0.6253 0.7039 0.7042 1.7727 1.7734 4.2680 4.2694 9.2297 9.2326 10.2262 10.2277 10.8918 10.8923 k = 0.4474-0.1019-0.0848 ( 2909 PWs) bands (ev): -25.8653 -25.8653 -23.5759 -23.5759 -17.8184 -17.8184 -17.7772 -17.7772 -9.6138 -9.6016 -9.3674 -9.3518 -9.2694 -9.2680 -7.4179 -7.4157 -5.4776 -5.4775 -5.1202 -5.1201 -4.9339 -4.9339 -0.4583 -0.4579 -0.3856 -0.3855 0.6247 0.6249 0.7028 0.7031 1.7690 1.7696 4.2690 4.2701 9.2540 9.2563 10.2333 10.2346 10.9099 10.9103 k = 0.4605-0.1049-0.0873 ( 2910 PWs) bands (ev): -25.8652 -25.8652 -23.5760 -23.5760 -17.8188 -17.8188 -17.7771 -17.7771 -9.6133 -9.6041 -9.3661 -9.3543 -9.2693 -9.2683 -7.4138 -7.4122 -5.4773 -5.4772 -5.1222 -5.1222 -4.9332 -4.9332 -0.4605 -0.4602 -0.3857 -0.3856 0.6245 0.6246 0.7020 0.7022 1.7662 1.7667 4.2698 4.2707 9.2731 9.2749 10.2394 10.2404 10.9243 10.9246 k = 0.4737-0.1079-0.0898 ( 2908 PWs) bands (ev): -25.8651 -25.8651 -23.5760 -23.5760 -17.8191 -17.8191 -17.7771 -17.7771 -9.6125 -9.6063 -9.3646 -9.3567 -9.2692 -9.2685 -7.4108 -7.4097 -5.4771 -5.4770 -5.1237 -5.1237 -4.9328 -4.9327 -0.4621 -0.4619 -0.3858 -0.3857 0.6243 0.6244 0.7014 0.7015 1.7642 1.7645 4.2705 4.2710 9.2870 9.2882 10.2442 10.2449 10.9347 10.9349 k = 0.4868-0.1109-0.0923 ( 2904 PWs) bands (ev): -25.8650 -25.8650 -23.5760 -23.5760 -17.8193 -17.8193 -17.7771 -17.7771 -9.6114 -9.6083 -9.3628 -9.3589 -9.2691 -9.2688 -7.4089 -7.4083 -5.4769 -5.4769 -5.1246 -5.1246 -4.9325 -4.9325 -0.4630 -0.4629 -0.3858 -0.3858 0.6243 0.6243 0.7010 0.7011 1.7630 1.7632 4.2709 4.2712 9.2955 9.2961 10.2473 10.2476 10.9411 10.9412 k = 0.5000-0.1139-0.0948 ( 2904 PWs) bands (ev): -25.8650 -25.8650 -23.5760 -23.5760 -17.8194 -17.8194 -17.7771 -17.7771 -9.6100 -9.6100 -9.3609 -9.3609 -9.2690 -9.2690 -7.4080 -7.4080 -5.4769 -5.4769 -5.1249 -5.1249 -4.9324 -4.9324 -0.4633 -0.4633 -0.3858 -0.3858 0.6243 0.6243 0.7009 0.7009 1.7627 1.7627 4.2712 4.2712 9.2985 9.2985 10.2484 10.2484 10.9433 10.9433 k = 0.5000-0.1139-0.0948 ( 2904 PWs) bands (ev): -25.8650 -25.8650 -23.5760 -23.5760 -17.8194 -17.8194 -17.7771 -17.7771 -9.6100 -9.6100 -9.3609 -9.3609 -9.2690 -9.2690 -7.4080 -7.4080 -5.4769 -5.4769 -5.1249 -5.1249 -4.9324 -4.9324 -0.4633 -0.4633 -0.3858 -0.3858 0.6243 0.6243 0.7009 0.7009 1.7627 1.7627 4.2712 4.2712 9.2985 9.2985 10.2484 10.2484 10.9433 10.9433 k = 0.5000-0.1050-0.1054 ( 2900 PWs) bands (ev): -25.8650 -25.8650 -23.5760 -23.5760 -17.8195 -17.8194 -17.7772 -17.7771 -9.6104 -9.6092 -9.3614 -9.3603 -9.2691 -9.2688 -7.4083 -7.4081 -5.4770 -5.4768 -5.1255 -5.1250 -4.9325 -4.9320 -0.4635 -0.4627 -0.3857 -0.3852 0.6243 0.6246 0.7002 0.7007 1.7626 1.7627 4.2710 4.2712 9.2993 9.2995 10.2493 10.2495 10.9430 10.9435 k = 0.5000-0.0961-0.1161 ( 2904 PWs) bands (ev): -25.8649 -25.8649 -23.5759 -23.5759 -17.8196 -17.8194 -17.7774 -17.7772 -9.6105 -9.6082 -9.3617 -9.3596 -9.2694 -9.2688 -7.4088 -7.4085 -5.4773 -5.4769 -5.1268 -5.1259 -4.9323 -4.9313 -0.4634 -0.4619 -0.3848 -0.3838 0.6247 0.6253 0.6986 0.6994 1.7623 1.7626 4.2708 4.2711 9.3020 9.3024 10.2521 10.2525 10.9427 10.9436 k = 0.5000-0.0872-0.1268 ( 2906 PWs) bands (ev): -25.8649 -25.8649 -23.5759 -23.5759 -17.8198 -17.8195 -17.7777 -17.7774 -9.6103 -9.6069 -9.3619 -9.3588 -9.2697 -9.2688 -7.4096 -7.4092 -5.4777 -5.4771 -5.1287 -5.1274 -4.9319 -4.9304 -0.4630 -0.4607 -0.3831 -0.3817 0.6254 0.6264 0.6960 0.6973 1.7619 1.7624 4.2705 4.2709 9.3065 9.3070 10.2567 10.2573 10.9425 10.9439 k = 0.5000-0.0784-0.1374 ( 2904 PWs) bands (ev): -25.8648 -25.8648 -23.5758 -23.5757 -17.8200 -17.8196 -17.7782 -17.7777 -9.6097 -9.6052 -9.3619 -9.3578 -9.2700 -9.2689 -7.4107 -7.4103 -5.4782 -5.4775 -5.1312 -5.1296 -4.9313 -4.9293 -0.4622 -0.4592 -0.3807 -0.3789 0.6264 0.6278 0.6925 0.6943 1.7615 1.7622 4.2700 4.2706 9.3128 9.3134 10.2630 10.2638 10.9426 10.9444 k = 0.5000-0.0695-0.1481 ( 2902 PWs) bands (ev): -25.8647 -25.8647 -23.5756 -23.5756 -17.8203 -17.8198 -17.7787 -17.7781 -9.6089 -9.6034 -9.3618 -9.3568 -9.2705 -9.2690 -7.4121 -7.4115 -5.4788 -5.4779 -5.1343 -5.1323 -4.9305 -4.9281 -0.4611 -0.4574 -0.3776 -0.3753 0.6276 0.6295 0.6882 0.6906 1.7611 1.7618 4.2694 4.2702 9.3207 9.3215 10.2709 10.2718 10.9431 10.9453 k = 0.5000-0.0606-0.1588 ( 2908 PWs) bands (ev): -25.8646 -25.8646 -23.5754 -23.5754 -17.8206 -17.8200 -17.7793 -17.7786 -9.6079 -9.6013 -9.3616 -9.3557 -9.2710 -9.2692 -7.4138 -7.4131 -5.4796 -5.4786 -5.1379 -5.1355 -4.9295 -4.9267 -0.4596 -0.4553 -0.3738 -0.3711 0.6288 0.6315 0.6832 0.6863 1.7606 1.7615 4.2687 4.2696 9.3303 9.3313 10.2803 10.2813 10.9444 10.9469 k = 0.5000-0.0517-0.1694 ( 2906 PWs) bands (ev): -25.8645 -25.8645 -23.5752 -23.5752 -17.8210 -17.8202 -17.7800 -17.7792 -9.6066 -9.5990 -9.3611 -9.3545 -9.2716 -9.2694 -7.4157 -7.4149 -5.4806 -5.4794 -5.1418 -5.1391 -4.9285 -4.9253 -0.4577 -0.4528 -0.3693 -0.3663 0.6299 0.6335 0.6777 0.6816 1.7601 1.7612 4.2679 4.2689 9.3414 9.3425 10.2908 10.2920 10.9467 10.9496 k = 0.5000-0.0428-0.1801 ( 2912 PWs) bands (ev): -25.8644 -25.8644 -23.5750 -23.5750 -17.8214 -17.8205 -17.7808 -17.7799 -9.6051 -9.5966 -9.3606 -9.3532 -9.2722 -9.2698 -7.4178 -7.4170 -5.4817 -5.4803 -5.1459 -5.1431 -4.9275 -4.9240 -0.4554 -0.4499 -0.3642 -0.3609 0.6305 0.6354 0.6720 0.6771 1.7598 1.7610 4.2668 4.2679 9.3539 9.3552 10.3023 10.3037 10.9503 10.9534 k = 0.5000-0.0340-0.1908 ( 2908 PWs) bands (ev): -25.8642 -25.8642 -23.5747 -23.5747 -17.8218 -17.8208 -17.7817 -17.7806 -9.6034 -9.5941 -9.3598 -9.3520 -9.2730 -9.2701 -7.4202 -7.4192 -5.4830 -5.4815 -5.1503 -5.1472 -4.9264 -4.9226 -0.4527 -0.4467 -0.3585 -0.3549 0.6301 0.6365 0.6667 0.6732 1.7596 1.7609 4.2655 4.2668 9.3677 9.3691 10.3146 10.3160 10.9555 10.9588 k = 0.5000-0.0251-0.2014 ( 2912 PWs) bands (ev): -25.8641 -25.8641 -23.5744 -23.5744 -17.8222 -17.8212 -17.7826 -17.7815 -9.6017 -9.5915 -9.3590 -9.3507 -9.2738 -9.2705 -7.4227 -7.4217 -5.4845 -5.4829 -5.1548 -5.1515 -4.9254 -4.9214 -0.4497 -0.4432 -0.3522 -0.3484 0.6280 0.6358 0.6631 0.6707 1.7595 1.7610 4.2641 4.2655 9.3826 9.3841 10.3275 10.3289 10.9624 10.9658 k = 0.5000-0.0162-0.2121 ( 2912 PWs) bands (ev): -25.8639 -25.8639 -23.5741 -23.5741 -17.8227 -17.8215 -17.7836 -17.7824 -9.5998 -9.5890 -9.3580 -9.3494 -9.2747 -9.2709 -7.4254 -7.4243 -5.4862 -5.4845 -5.1592 -5.1558 -4.9246 -4.9203 -0.4462 -0.4392 -0.3454 -0.3414 0.6239 0.6322 0.6622 0.6700 1.7598 1.7613 4.2624 4.2639 9.3985 9.4002 10.3406 10.3421 10.9711 10.9746 k = 0.5000-0.0073-0.2228 ( 2912 PWs) bands (ev): -25.8637 -25.8637 -23.5738 -23.5738 -17.8231 -17.8219 -17.7847 -17.7834 -9.5979 -9.5865 -9.3569 -9.3481 -9.2757 -9.2713 -7.4283 -7.4271 -5.4882 -5.4864 -5.1636 -5.1601 -4.9238 -4.9194 -0.4423 -0.4349 -0.3382 -0.3339 0.6179 0.6259 0.6638 0.6711 1.7603 1.7619 4.2604 4.2620 9.4152 9.4170 10.3539 10.3553 10.9819 10.9854 k = 0.5000 0.0015-0.2334 ( 2912 PWs) bands (ev): -25.8635 -25.8635 -23.5734 -23.5734 -17.8236 -17.8223 -17.7858 -17.7844 -9.5961 -9.5842 -9.3557 -9.3469 -9.2767 -9.2718 -7.4312 -7.4300 -5.4904 -5.4885 -5.1678 -5.1642 -4.9232 -4.9186 -0.4380 -0.4302 -0.3305 -0.3260 0.6105 0.6181 0.6670 0.6737 1.7612 1.7629 4.2581 4.2598 9.4326 9.4345 10.3672 10.3686 10.9946 10.9981 k = 0.5000 0.0104-0.2441 ( 2912 PWs) bands (ev): -25.8633 -25.8633 -23.5730 -23.5730 -17.8241 -17.8226 -17.7870 -17.7855 -9.5943 -9.5820 -9.3544 -9.3457 -9.2779 -9.2723 -7.4342 -7.4329 -5.4929 -5.4909 -5.1718 -5.1681 -4.9228 -4.9181 -0.4332 -0.4250 -0.3225 -0.3178 0.6022 0.6094 0.6711 0.6771 1.7625 1.7643 4.2555 4.2573 9.4505 9.4525 10.3804 10.3817 11.0093 11.0127 k = 0.5000 0.0193-0.2548 ( 2912 PWs) bands (ev): -25.8631 -25.8631 -23.5726 -23.5726 -17.8245 -17.8230 -17.7882 -17.7866 -9.5927 -9.5801 -9.3531 -9.3447 -9.2791 -9.2728 -7.4372 -7.4359 -5.4957 -5.4936 -5.1755 -5.1717 -4.9226 -4.9178 -0.4280 -0.4195 -0.3141 -0.3092 0.5933 0.6003 0.6758 0.6813 1.7642 1.7660 4.2525 4.2544 9.4687 9.4708 10.3933 10.3945 11.0259 11.0291 k = 0.5000 0.0282-0.2654 ( 2918 PWs) bands (ev): -25.8629 -25.8629 -23.5721 -23.5721 -17.8249 -17.8233 -17.7895 -17.7878 -9.5912 -9.5784 -9.3517 -9.3438 -9.2804 -9.2733 -7.4403 -7.4390 -5.4988 -5.4966 -5.1789 -5.1750 -4.9226 -4.9177 -0.4225 -0.4136 -0.3054 -0.3004 0.5842 0.5910 0.6808 0.6860 1.7664 1.7683 4.2492 4.2512 9.4870 9.4892 10.4060 10.4071 11.0441 11.0471 k = 0.5000 0.0370-0.2761 ( 2920 PWs) bands (ev): -25.8626 -25.8626 -23.5717 -23.5717 -17.8253 -17.8237 -17.7907 -17.7890 -9.5899 -9.5770 -9.3504 -9.3430 -9.2818 -9.2738 -7.4433 -7.4420 -5.5022 -5.5000 -5.1818 -5.1779 -4.9228 -4.9178 -0.4164 -0.4073 -0.2965 -0.2913 0.5751 0.5818 0.6861 0.6910 1.7692 1.7711 4.2455 4.2475 9.5054 9.5076 10.4183 10.4194 11.0639 11.0666 k = 0.5000 0.0459-0.2868 ( 2920 PWs) bands (ev): -25.8624 -25.8624 -23.5712 -23.5712 -17.8256 -17.8240 -17.7920 -17.7902 -9.5888 -9.5759 -9.3492 -9.3425 -9.2832 -9.2744 -7.4463 -7.4449 -5.5059 -5.5036 -5.1843 -5.1804 -4.9232 -4.9182 -0.4100 -0.4006 -0.2874 -0.2820 0.5662 0.5728 0.6916 0.6963 1.7725 1.7745 4.2414 4.2435 9.5236 9.5259 10.4303 10.4314 11.0849 11.0874 k = 0.5000 0.0548-0.2975 ( 2924 PWs) bands (ev): -25.8622 -25.8622 -23.5707 -23.5707 -17.8259 -17.8242 -17.7932 -17.7914 -9.5879 -9.5752 -9.3481 -9.3421 -9.2848 -9.2750 -7.4492 -7.4478 -5.5099 -5.5076 -5.1862 -5.1823 -4.9238 -4.9187 -0.4031 -0.3935 -0.2781 -0.2726 0.5576 0.5641 0.6972 0.7017 1.7764 1.7784 4.2369 4.2390 9.5415 9.5438 10.4419 10.4431 11.1071 11.1093 k = 0.5000 0.0637-0.3081 ( 2926 PWs) bands (ev): -25.8620 -25.8620 -23.5702 -23.5702 -17.8262 -17.8244 -17.7945 -17.7926 -9.5874 -9.5749 -9.3473 -9.3418 -9.2863 -9.2756 -7.4519 -7.4506 -5.5143 -5.5120 -5.1876 -5.1837 -4.9246 -4.9195 -0.3958 -0.3859 -0.2687 -0.2631 0.5496 0.5560 0.7029 0.7073 1.7809 1.7829 4.2319 4.2340 9.5590 9.5614 10.4531 10.4544 11.1303 11.1322 k = 0.5000 0.0726-0.3188 ( 2924 PWs) bands (ev): -25.8617 -25.8617 -23.5697 -23.5697 -17.8264 -17.8246 -17.7958 -17.7938 -9.5872 -9.5750 -9.3468 -9.3418 -9.2878 -9.2763 -7.4546 -7.4532 -5.5190 -5.5167 -5.1885 -5.1845 -4.9255 -4.9205 -0.3881 -0.3780 -0.2593 -0.2535 0.5421 0.5485 0.7086 0.7129 1.7861 1.7881 4.2264 4.2286 9.5760 9.5784 10.4637 10.4652 11.1542 11.1559 k = 0.5000 0.0814-0.3295 ( 2926 PWs) bands (ev): -25.8615 -25.8615 -23.5691 -23.5691 -17.8266 -17.8247 -17.7970 -17.7950 -9.5873 -9.5755 -9.3467 -9.3419 -9.2894 -9.2770 -7.4570 -7.4557 -5.5241 -5.5218 -5.1887 -5.1847 -4.9267 -4.9217 -0.3799 -0.3697 -0.2499 -0.2440 0.5354 0.5418 0.7144 0.7186 1.7918 1.7938 4.2204 4.2226 9.5924 9.5948 10.4738 10.4754 11.1790 11.1804 k = 0.5000 0.0903-0.3401 ( 2928 PWs) bands (ev): -25.8613 -25.8613 -23.5686 -23.5686 -17.8267 -17.8248 -17.7982 -17.7962 -9.5878 -9.5764 -9.3471 -9.3422 -9.2910 -9.2778 -7.4593 -7.4579 -5.5295 -5.5272 -5.1883 -5.1843 -4.9280 -4.9230 -0.3714 -0.3611 -0.2405 -0.2345 0.5295 0.5359 0.7201 0.7242 1.7982 1.8002 4.2140 4.2162 9.6081 9.6106 10.4832 10.4850 11.2044 11.2056 k = 0.5000 0.0992-0.3508 ( 2926 PWs) bands (ev): -25.8611 -25.8611 -23.5681 -23.5680 -17.8267 -17.8248 -17.7994 -17.7973 -9.5886 -9.5778 -9.3480 -9.3428 -9.2924 -9.2786 -7.4614 -7.4600 -5.5353 -5.5330 -5.1872 -5.1832 -4.9294 -4.9245 -0.3625 -0.3520 -0.2312 -0.2250 0.5246 0.5309 0.7257 0.7298 1.8053 1.8073 4.2070 4.2092 9.6232 9.6257 10.4918 10.4937 11.2304 11.2315 k = 0.5000 0.1081-0.3615 ( 2926 PWs) bands (ev): -25.8608 -25.8608 -23.5675 -23.5675 -17.8267 -17.8247 -17.8005 -17.7984 -9.5898 -9.5795 -9.3492 -9.3437 -9.2939 -9.2796 -7.4632 -7.4618 -5.5414 -5.5392 -5.1854 -5.1814 -4.9310 -4.9261 -0.3532 -0.3427 -0.2220 -0.2158 0.5208 0.5269 0.7312 0.7353 1.8130 1.8149 4.1996 4.2018 9.6376 9.6400 10.4994 10.5015 11.2569 11.2580 k = 0.5000 0.1169-0.3721 ( 2928 PWs) bands (ev): -25.8606 -25.8606 -23.5669 -23.5669 -17.8266 -17.8246 -17.8016 -17.7995 -9.5913 -9.5817 -9.3509 -9.3449 -9.2953 -9.2808 -7.4647 -7.4634 -5.5479 -5.5457 -5.1830 -5.1790 -4.9326 -4.9279 -0.3435 -0.3330 -0.2130 -0.2067 0.5180 0.5241 0.7366 0.7407 1.8213 1.8232 4.1916 4.1938 9.6512 9.6536 10.5060 10.5082 11.2839 11.2849 k = 0.5000 0.1258-0.3828 ( 2922 PWs) bands (ev): -25.8604 -25.8604 -23.5664 -23.5664 -17.8264 -17.8244 -17.8026 -17.8005 -9.5932 -9.5842 -9.3530 -9.3466 -9.2966 -9.2820 -7.4661 -7.4647 -5.5547 -5.5526 -5.1799 -5.1758 -4.9344 -4.9297 -0.3335 -0.3230 -0.2042 -0.1978 0.5165 0.5224 0.7418 0.7459 1.8302 1.8320 4.1831 4.1853 9.6641 9.6664 10.5115 10.5138 11.3111 11.3120 k = 0.5000 0.1347-0.3935 ( 2930 PWs) bands (ev): -25.8602 -25.8602 -23.5658 -23.5658 -17.8262 -17.8241 -17.8036 -17.8015 -9.5955 -9.5871 -9.3554 -9.3487 -9.2980 -9.2835 -7.4671 -7.4657 -5.5618 -5.5598 -5.1761 -5.1720 -4.9362 -4.9317 -0.3233 -0.3127 -0.1957 -0.1892 0.5161 0.5220 0.7469 0.7509 1.8396 1.8414 4.1741 4.1763 9.6762 9.6785 10.5158 10.5181 11.3381 11.3390 k = 0.5000 0.1436-0.4041 ( 2922 PWs) bands (ev): -25.8601 -25.8601 -23.5652 -23.5652 -17.8259 -17.8238 -17.8045 -17.8024 -9.5981 -9.5904 -9.3581 -9.3512 -9.2993 -9.2851 -7.4679 -7.4665 -5.5693 -5.5673 -5.1716 -5.1675 -4.9381 -4.9337 -0.3127 -0.3022 -0.1875 -0.1809 0.5171 0.5228 0.7518 0.7557 1.8496 1.8514 4.1647 4.1669 9.6875 9.6898 10.5189 10.5213 11.3646 11.3654 k = 0.5000 0.1525-0.4148 ( 2922 PWs) bands (ev): -25.8599 -25.8599 -23.5647 -23.5647 -17.8255 -17.8234 -17.8053 -17.8032 -9.6010 -9.5940 -9.3610 -9.3542 -9.3007 -9.2869 -7.4684 -7.4670 -5.5771 -5.5752 -5.1665 -5.1623 -4.9401 -4.9357 -0.3019 -0.2915 -0.1796 -0.1729 0.5194 0.5249 0.7564 0.7603 1.8602 1.8619 4.1547 4.1569 9.6980 9.7002 10.5210 10.5234 11.3897 11.3903 k = 0.5000 0.1613-0.4255 ( 2922 PWs) bands (ev): -25.8597 -25.8597 -23.5641 -23.5641 -17.8250 -17.8230 -17.8061 -17.8040 -9.6043 -9.5979 -9.3643 -9.3575 -9.3021 -9.2889 -7.4686 -7.4672 -5.5851 -5.5834 -5.1607 -5.1565 -4.9420 -4.9378 -0.2910 -0.2807 -0.1720 -0.1653 0.5229 0.5284 0.7608 0.7647 1.8712 1.8728 4.1443 4.1464 9.7077 9.7099 10.5220 10.5243 11.4128 11.4132 k = 0.5000 0.1702-0.4361 ( 2924 PWs) bands (ev): -25.8596 -25.8596 -23.5636 -23.5635 -17.8245 -17.8225 -17.8068 -17.8047 -9.6078 -9.6021 -9.3678 -9.3612 -9.3036 -9.2911 -7.4685 -7.4672 -5.5935 -5.5918 -5.1543 -5.1500 -4.9440 -4.9400 -0.2799 -0.2697 -0.1648 -0.1580 0.5278 0.5331 0.7649 0.7688 1.8826 1.8842 4.1334 4.1355 9.7165 9.7186 10.5221 10.5244 11.4329 11.4334 k = 0.5000 0.1791-0.4468 ( 2914 PWs) bands (ev): -25.8594 -25.8594 -23.5630 -23.5630 -17.8240 -17.8219 -17.8074 -17.8053 -9.6116 -9.6065 -9.3715 -9.3652 -9.3051 -9.2935 -7.4682 -7.4669 -5.6020 -5.6005 -5.1474 -5.1430 -4.9460 -4.9421 -0.2686 -0.2586 -0.1579 -0.1512 0.5341 0.5392 0.7688 0.7726 1.8944 1.8960 4.1222 4.1242 9.7244 9.7264 10.5215 10.5238 11.4498 11.4507 k = 0.5000 0.1880-0.4575 ( 2918 PWs) bands (ev): -25.8593 -25.8593 -23.5625 -23.5625 -17.8234 -17.8213 -17.8080 -17.8059 -9.6157 -9.6112 -9.3753 -9.3694 -9.3068 -9.2961 -7.4677 -7.4664 -5.6108 -5.6093 -5.1399 -5.1355 -4.9480 -4.9442 -0.2574 -0.2476 -0.1515 -0.1448 0.5415 0.5464 0.7724 0.7762 1.9066 1.9081 4.1105 4.1125 9.7313 9.7332 10.5204 10.5227 11.4637 11.4652 k = 0.5000 0.1968-0.4681 ( 2920 PWs) bands (ev): -25.8592 -25.8592 -23.5619 -23.5619 -17.8227 -17.8207 -17.8085 -17.8064 -9.6201 -9.6161 -9.3794 -9.3738 -9.3087 -9.2988 -7.4669 -7.4656 -5.6197 -5.6184 -5.1319 -5.1275 -4.9499 -4.9463 -0.2461 -0.2365 -0.1454 -0.1387 0.5502 0.5549 0.7757 0.7794 1.9190 1.9204 4.0985 4.1004 9.7371 9.7389 10.5190 10.5213 11.4754 11.4774 k = 0.5000 0.2057-0.4788 ( 2924 PWs) bands (ev): -25.8591 -25.8591 -23.5614 -23.5614 -17.8220 -17.8200 -17.8089 -17.8069 -9.6246 -9.6211 -9.3836 -9.3784 -9.3106 -9.3016 -7.4659 -7.4646 -5.6288 -5.6276 -5.1235 -5.1190 -4.9518 -4.9484 -0.2349 -0.2256 -0.1397 -0.1331 0.5600 0.5646 0.7788 0.7824 1.9317 1.9330 4.0862 4.0881 9.7417 9.7434 10.5176 10.5198 11.4856 11.4880 k = 0.5000 0.2146-0.4895 ( 2922 PWs) bands (ev): -25.8590 -25.8590 -23.5609 -23.5609 -17.8212 -17.8193 -17.8092 -17.8073 -9.6293 -9.6263 -9.3879 -9.3830 -9.3127 -9.3046 -7.4648 -7.4635 -5.6379 -5.6368 -5.1147 -5.1103 -4.9537 -4.9504 -0.2239 -0.2148 -0.1344 -0.1279 0.5709 0.5753 0.7816 0.7852 1.9445 1.9458 4.0736 4.0755 9.7451 9.7468 10.5164 10.5185 11.4948 11.4975 k = 0.5000 0.2235-0.5001 ( 2930 PWs) bands (ev): -25.8589 -25.8589 -23.5604 -23.5604 -17.8204 -17.8186 -17.8095 -17.8076 -9.6342 -9.6315 -9.3922 -9.3878 -9.3148 -9.3077 -7.4634 -7.4622 -5.6471 -5.6461 -5.1056 -5.1012 -4.9555 -4.9524 -0.2130 -0.2042 -0.1294 -0.1231 0.5828 0.5870 0.7841 0.7876 1.9575 1.9586 4.0609 4.0627 9.7472 9.7488 10.5155 10.5176 11.5035 11.5065 k = 0.5000 0.2324-0.5108 ( 2932 PWs) bands (ev): -25.8588 -25.8588 -23.5599 -23.5599 -17.8196 -17.8178 -17.8097 -17.8078 -9.6393 -9.6368 -9.3967 -9.3926 -9.3171 -9.3108 -7.4619 -7.4607 -5.6563 -5.6554 -5.0962 -5.0919 -4.9572 -4.9543 -0.2023 -0.1938 -0.1248 -0.1187 0.5956 0.5995 0.7863 0.7897 1.9704 1.9715 4.0480 4.0497 9.7479 9.7494 10.5152 10.5173 11.5118 11.5150 k = 0.5000 0.2412-0.5215 ( 2932 PWs) bands (ev): -25.8588 -25.8588 -23.5595 -23.5595 -17.8188 -17.8170 -17.8099 -17.8080 -9.6444 -9.6422 -9.4011 -9.3973 -9.3194 -9.3139 -7.4603 -7.4591 -5.6654 -5.6646 -5.0867 -5.0825 -4.9589 -4.9561 -0.1919 -0.1838 -0.1206 -0.1146 0.6090 0.6128 0.7883 0.7916 1.9833 1.9844 4.0351 4.0367 9.7473 9.7487 10.5156 10.5176 11.5199 11.5232 k = 0.6538 0.3639 0.1425 ( 2932 PWs) bands (ev): -25.8588 -25.8588 -23.5595 -23.5595 -17.8188 -17.8171 -17.8098 -17.8080 -9.6444 -9.6422 -9.4011 -9.3973 -9.3194 -9.3139 -7.4603 -7.4591 -5.6654 -5.6646 -5.0868 -5.0825 -4.9589 -4.9561 -0.1919 -0.1837 -0.1206 -0.1146 0.6090 0.6127 0.7884 0.7917 1.9833 1.9844 4.0351 4.0367 9.7473 9.7487 10.5156 10.5176 11.5199 11.5232 k = 0.6452 0.3659 0.1530 ( 2934 PWs) bands (ev): -25.8587 -25.8587 -23.5591 -23.5590 -17.8180 -17.8163 -17.8099 -17.8082 -9.6495 -9.6474 -9.4055 -9.4020 -9.3218 -9.3170 -7.4586 -7.4575 -5.6743 -5.6736 -5.0773 -5.0732 -4.9604 -4.9578 -0.1819 -0.1741 -0.1168 -0.1110 0.6229 0.6264 0.7901 0.7933 1.9960 1.9969 4.0223 4.0238 9.7453 9.7467 10.5168 10.5188 11.5277 11.5311 k = 0.6367 0.3678 0.1635 ( 2934 PWs) bands (ev): -25.8587 -25.8587 -23.5586 -23.5586 -17.8172 -17.8155 -17.8099 -17.8083 -9.6546 -9.6526 -9.4098 -9.4065 -9.3241 -9.3201 -7.4569 -7.4558 -5.6830 -5.6824 -5.0679 -5.0638 -4.9619 -4.9595 -0.1723 -0.1649 -0.1132 -0.1076 0.6372 0.6405 0.7916 0.7947 2.0084 2.0093 4.0096 4.0111 9.7421 9.7434 10.5189 10.5208 11.5352 11.5387 k = 0.6281 0.3698 0.1740 ( 2934 PWs) bands (ev): -25.8586 -25.8586 -23.5582 -23.5582 -17.8164 -17.8148 -17.8099 -17.8083 -9.6597 -9.6577 -9.4141 -9.4109 -9.3265 -9.3231 -7.4551 -7.4541 -5.6914 -5.6910 -5.0585 -5.0545 -4.9633 -4.9610 -0.1631 -0.1561 -0.1099 -0.1046 0.6518 0.6550 0.7929 0.7959 2.0206 2.0214 3.9970 3.9984 9.7377 9.7388 10.5218 10.5237 11.5425 11.5459 k = 0.6196 0.3717 0.1846 ( 2938 PWs) bands (ev): -25.8586 -25.8586 -23.5579 -23.5579 -17.8155 -17.8141 -17.8098 -17.8084 -9.6648 -9.6627 -9.4182 -9.4152 -9.3289 -9.3260 -7.4532 -7.4523 -5.6997 -5.6993 -5.0493 -5.0455 -4.9647 -4.9625 -0.1544 -0.1478 -0.1068 -0.1018 0.6665 0.6695 0.7941 0.7969 2.0325 2.0332 3.9847 3.9860 9.7321 9.7332 10.5255 10.5274 11.5493 11.5528 k = 0.6111 0.3736 0.1951 ( 2932 PWs) bands (ev): -25.8586 -25.8586 -23.5575 -23.5575 -17.8148 -17.8134 -17.8097 -17.8084 -9.6696 -9.6676 -9.4222 -9.4193 -9.3311 -9.3289 -7.4514 -7.4506 -5.7076 -5.7072 -5.0402 -5.0366 -4.9659 -4.9639 -0.1461 -0.1400 -0.1040 -0.0994 0.6812 0.6840 0.7950 0.7977 2.0439 2.0446 3.9727 3.9740 9.7256 9.7266 10.5300 10.5318 11.5558 11.5592 k = 0.6025 0.3756 0.2056 ( 2938 PWs) bands (ev): -25.8586 -25.8586 -23.5572 -23.5572 -17.8140 -17.8127 -17.8096 -17.8083 -9.6744 -9.6723 -9.4260 -9.4232 -9.3334 -9.3316 -7.4497 -7.4489 -5.7151 -5.7148 -5.0315 -5.0281 -4.9670 -4.9652 -0.1384 -0.1328 -0.1014 -0.0971 0.6957 0.6983 0.7958 0.7983 2.0549 2.0555 3.9611 3.9623 9.7184 9.7193 10.5352 10.5369 11.5617 11.5650 k = 0.5940 0.3775 0.2162 ( 2938 PWs) bands (ev): -25.8586 -25.8586 -23.5569 -23.5569 -17.8133 -17.8121 -17.8094 -17.8083 -9.6789 -9.6768 -9.4296 -9.4269 -9.3356 -9.3341 -7.4479 -7.4472 -5.7222 -5.7220 -5.0232 -5.0200 -4.9681 -4.9664 -0.1313 -0.1261 -0.0990 -0.0951 0.7098 0.7122 0.7964 0.7988 2.0653 2.0659 3.9500 3.9511 9.7106 9.7114 10.5408 10.5424 11.5671 11.5702 k = 0.5854 0.3795 0.2267 ( 2938 PWs) bands (ev): -25.8585 -25.8585 -23.5566 -23.5566 -17.8126 -17.8116 -17.8092 -17.8082 -9.6831 -9.6811 -9.4330 -9.4304 -9.3376 -9.3365 -7.4463 -7.4457 -5.7289 -5.7287 -5.0153 -5.0123 -4.9690 -4.9675 -0.1247 -0.1201 -0.0967 -0.0932 0.7234 0.7256 0.7970 0.7991 2.0751 2.0757 3.9394 3.9405 9.7024 9.7032 10.5468 10.5483 11.5718 11.5748 k = 0.5769 0.3814 0.2372 ( 2936 PWs) bands (ev): -25.8585 -25.8585 -23.5563 -23.5563 -17.8119 -17.8111 -17.8089 -17.8081 -9.6870 -9.6851 -9.4361 -9.4336 -9.3395 -9.3387 -7.4447 -7.4442 -5.7351 -5.7349 -5.0080 -5.0052 -4.9699 -4.9685 -0.1187 -0.1147 -0.0946 -0.0915 0.7363 0.7382 0.7974 0.7994 2.0842 2.0847 3.9296 3.9306 9.6942 9.6948 10.5529 10.5543 11.5760 11.5788 k = 0.5683 0.3834 0.2477 ( 2936 PWs) bands (ev): -25.8585 -25.8585 -23.5561 -23.5561 -17.8114 -17.8107 -17.8086 -17.8080 -9.6906 -9.6888 -9.4389 -9.4366 -9.3413 -9.3408 -7.4433 -7.4428 -5.7407 -5.7406 -5.0012 -4.9987 -4.9706 -4.9695 -0.1135 -0.1100 -0.0925 -0.0900 0.7483 0.7500 0.7978 0.7996 2.0926 2.0930 3.9205 3.9214 9.6861 9.6866 10.5590 10.5603 11.5796 11.5821 k = 0.5598 0.3853 0.2583 ( 2938 PWs) bands (ev): -25.8585 -25.8585 -23.5559 -23.5559 -17.8108 -17.8104 -17.8083 -17.8079 -9.6939 -9.6922 -9.4414 -9.4393 -9.3430 -9.3426 -7.4420 -7.4415 -5.7458 -5.7457 -4.9950 -4.9928 -4.9713 -4.9703 -0.1089 -0.1061 -0.0905 -0.0885 0.7592 0.7608 0.7981 0.7997 2.1001 2.1005 3.9123 3.9131 9.6783 9.6788 10.5649 10.5660 11.5826 11.5849 k = 0.5513 0.3873 0.2688 ( 2940 PWs) bands (ev): -25.8585 -25.8585 -23.5557 -23.5557 -17.8104 -17.8101 -17.8080 -17.8077 -9.6967 -9.6952 -9.4436 -9.4417 -9.3444 -9.3442 -7.4408 -7.4404 -5.7502 -5.7501 -4.9895 -4.9876 -4.9719 -4.9710 -0.1051 -0.1028 -0.0885 -0.0871 0.7690 0.7703 0.7985 0.7998 2.1067 2.1071 3.9050 3.9057 9.6710 9.6715 10.5704 10.5714 11.5851 11.5871 k = 0.5427 0.3892 0.2793 ( 2936 PWs) bands (ev): -25.8585 -25.8585 -23.5555 -23.5555 -17.8100 -17.8099 -17.8078 -17.8076 -9.6991 -9.6978 -9.4454 -9.4437 -9.3457 -9.3455 -7.4398 -7.4395 -5.7540 -5.7540 -4.9848 -4.9832 -4.9723 -4.9716 -0.1019 -0.1003 -0.0867 -0.0858 0.7775 0.7785 0.7988 0.7999 2.1125 2.1127 3.8987 3.8993 9.6646 9.6649 10.5754 10.5763 11.5872 11.5889 k = 0.5342 0.3912 0.2899 ( 2936 PWs) bands (ev): -25.8585 -25.8585 -23.5554 -23.5554 -17.8098 -17.8097 -17.8076 -17.8075 -9.7011 -9.7000 -9.4468 -9.4455 -9.3467 -9.3466 -7.4389 -7.4387 -5.7572 -5.7571 -4.9809 -4.9795 -4.9727 -4.9721 -0.0995 -0.0984 -0.0851 -0.0846 0.7844 0.7852 0.7993 0.8001 2.1172 2.1174 3.8935 3.8939 9.6590 9.6593 10.5797 10.5804 11.5888 11.5901 k = 0.5256 0.3931 0.3004 ( 2934 PWs) bands (ev): -25.8585 -25.8585 -23.5553 -23.5553 -17.8096 -17.8095 -17.8074 -17.8073 -9.7026 -9.7018 -9.4479 -9.4469 -9.3475 -9.3475 -7.4382 -7.4381 -5.7596 -5.7596 -4.9777 -4.9767 -4.9729 -4.9725 -0.0978 -0.0970 -0.0837 -0.0835 0.7897 0.7902 0.8000 0.8005 2.1209 2.1211 3.8893 3.8897 9.6546 9.6548 10.5832 10.5837 11.5900 11.5910 k = 0.5171 0.3950 0.3109 ( 2936 PWs) bands (ev): -25.8585 -25.8585 -23.5552 -23.5552 -17.8094 -17.8094 -17.8073 -17.8072 -9.7037 -9.7031 -9.4487 -9.4480 -9.3481 -9.3481 -7.4377 -7.4376 -5.7614 -5.7614 -4.9755 -4.9748 -4.9730 -4.9727 -0.0965 -0.0961 -0.0827 -0.0826 0.7930 0.7933 0.8010 0.8011 2.1236 2.1237 3.8864 3.8866 9.6513 9.6515 10.5858 10.5862 11.5908 11.5913 k = 0.5085 0.3970 0.3214 ( 2938 PWs) bands (ev): -25.8585 -25.8585 -23.5552 -23.5552 -17.8093 -17.8093 -17.8072 -17.8072 -9.7043 -9.7040 -9.4490 -9.4487 -9.3485 -9.3485 -7.4374 -7.4374 -5.7625 -5.7625 -4.9742 -4.9739 -4.9729 -4.9728 -0.0958 -0.0956 -0.0821 -0.0821 0.7947 0.7948 0.8019 0.8019 2.1253 2.1253 3.8846 3.8847 9.6494 9.6494 10.5874 10.5876 11.5908 11.5909 k = 0.5000 0.3989 0.3320 ( 2934 PWs) bands (ev): -25.8585 -25.8585 -23.5552 -23.5552 -17.8093 -17.8093 -17.8072 -17.8072 -9.7044 -9.7044 -9.4490 -9.4490 -9.3486 -9.3486 -7.4373 -7.4373 -5.7628 -5.7628 -4.9738 -4.9738 -4.9727 -4.9727 -0.0955 -0.0955 -0.0819 -0.0819 0.7952 0.7952 0.8023 0.8023 2.1258 2.1258 3.8841 3.8841 9.6487 9.6487 10.5880 10.5880 11.5906 11.5906 k = 0.5000 0.3989 0.3320 ( 2934 PWs) bands (ev): -25.8585 -25.8585 -23.5552 -23.5552 -17.8093 -17.8093 -17.8072 -17.8072 -9.7044 -9.7044 -9.4490 -9.4490 -9.3486 -9.3486 -7.4373 -7.4373 -5.7628 -5.7628 -4.9738 -4.9738 -4.9727 -4.9727 -0.0955 -0.0955 -0.0819 -0.0819 0.7952 0.7952 0.8023 0.8023 2.1258 2.1258 3.8841 3.8841 9.6487 9.6487 10.5880 10.5880 11.5906 11.5906 k = 0.4904 0.3913 0.3256 ( 2937 PWs) bands (ev): -25.8585 -25.8585 -23.5552 -23.5552 -17.8093 -17.8093 -17.8071 -17.8071 -9.7042 -9.7042 -9.4489 -9.4489 -9.3485 -9.3485 -7.4377 -7.4377 -5.7625 -5.7625 -4.9738 -4.9738 -4.9727 -4.9727 -0.0957 -0.0957 -0.0822 -0.0820 0.7951 0.7951 0.8021 0.8023 2.1257 2.1257 3.8844 3.8844 9.6485 9.6485 10.5838 10.5838 11.5910 11.5911 k = 0.4808 0.3836 0.3192 ( 2931 PWs) bands (ev): -25.8586 -25.8586 -23.5553 -23.5553 -17.8092 -17.8092 -17.8071 -17.8071 -9.7036 -9.7036 -9.4485 -9.4485 -9.3482 -9.3482 -7.4387 -7.4387 -5.7616 -5.7616 -4.9738 -4.9738 -4.9728 -4.9727 -0.0963 -0.0963 -0.0829 -0.0826 0.7947 0.7947 0.8017 0.8021 2.1254 2.1254 3.8855 3.8855 9.6480 9.6480 10.5713 10.5713 11.5922 11.5925 k = 0.4712 0.3759 0.3128 ( 2931 PWs) bands (ev): -25.8587 -25.8587 -23.5554 -23.5554 -17.8091 -17.8091 -17.8069 -17.8069 -9.7027 -9.7027 -9.4478 -9.4478 -9.3478 -9.3478 -7.4405 -7.4405 -5.7600 -5.7600 -4.9739 -4.9739 -4.9729 -4.9728 -0.0974 -0.0974 -0.0841 -0.0836 0.7941 0.7941 0.8011 0.8016 2.1249 2.1249 3.8874 3.8874 9.6470 9.6470 10.5508 10.5508 11.5943 11.5946 k = 0.4615 0.3682 0.3064 ( 2937 PWs) bands (ev): -25.8588 -25.8588 -23.5555 -23.5555 -17.8089 -17.8089 -17.8068 -17.8068 -9.7014 -9.7014 -9.4469 -9.4469 -9.3472 -9.3472 -7.4431 -7.4431 -5.7578 -5.7578 -4.9740 -4.9740 -4.9730 -4.9729 -0.0988 -0.0988 -0.0857 -0.0850 0.7932 0.7932 0.8002 0.8009 2.1241 2.1241 3.8899 3.8899 9.6457 9.6457 10.5229 10.5229 11.5970 11.5974 k = 0.4519 0.3606 0.3001 ( 2931 PWs) bands (ev): -25.8589 -25.8589 -23.5556 -23.5556 -17.8087 -17.8087 -17.8065 -17.8065 -9.6997 -9.6997 -9.4457 -9.4457 -9.3464 -9.3463 -7.4463 -7.4463 -5.7549 -5.7549 -4.9741 -4.9741 -4.9731 -4.9731 -0.1007 -0.1007 -0.0877 -0.0869 0.7921 0.7921 0.7991 0.8000 2.1232 2.1232 3.8931 3.8931 9.6441 9.6441 10.4882 10.4882 11.6001 11.6006 k = 0.4423 0.3529 0.2937 ( 2937 PWs) bands (ev): -25.8591 -25.8591 -23.5558 -23.5558 -17.8084 -17.8084 -17.8063 -17.8063 -9.6977 -9.6977 -9.4442 -9.4442 -9.3454 -9.3454 -7.4501 -7.4501 -5.7515 -5.7515 -4.9742 -4.9742 -4.9733 -4.9733 -0.1030 -0.1030 -0.0902 -0.0892 0.7908 0.7908 0.7979 0.7989 2.1220 2.1220 3.8970 3.8970 9.6421 9.6421 10.4475 10.4475 11.6031 11.6037 k = 0.4327 0.3452 0.2873 ( 2925 PWs) bands (ev): -25.8593 -25.8593 -23.5561 -23.5561 -17.8081 -17.8081 -17.8060 -17.8060 -9.6953 -9.6953 -9.4424 -9.4424 -9.3442 -9.3442 -7.4546 -7.4546 -5.7475 -5.7475 -4.9744 -4.9744 -4.9735 -4.9735 -0.1057 -0.1057 -0.0931 -0.0919 0.7894 0.7894 0.7965 0.7976 2.1206 2.1206 3.9016 3.9016 9.6396 9.6396 10.4017 10.4017 11.6057 11.6064 k = 0.4231 0.3376 0.2809 ( 2925 PWs) bands (ev): -25.8596 -25.8596 -23.5563 -23.5563 -17.8077 -17.8077 -17.8056 -17.8056 -9.6926 -9.6926 -9.4404 -9.4404 -9.3429 -9.3429 -7.4598 -7.4598 -5.7429 -5.7429 -4.9745 -4.9745 -4.9738 -4.9737 -0.1088 -0.1088 -0.0964 -0.0951 0.7877 0.7877 0.7949 0.7962 2.1191 2.1191 3.9067 3.9067 9.6366 9.6366 10.3516 10.3516 11.6072 11.6080 k = 0.4135 0.3299 0.2745 ( 2931 PWs) bands (ev): -25.8599 -25.8599 -23.5566 -23.5566 -17.8073 -17.8073 -17.8052 -17.8052 -9.6896 -9.6896 -9.4382 -9.4382 -9.3415 -9.3414 -7.4655 -7.4655 -5.7378 -5.7378 -4.9747 -4.9747 -4.9741 -4.9740 -0.1123 -0.1123 -0.1002 -0.0987 0.7859 0.7859 0.7932 0.7946 2.1173 2.1173 3.9125 3.9125 9.6330 9.6330 10.2983 10.2983 11.6066 11.6084 k = 0.4038 0.3222 0.2681 ( 2925 PWs) bands (ev): -25.8602 -25.8602 -23.5570 -23.5570 -17.8069 -17.8069 -17.8047 -17.8047 -9.6863 -9.6863 -9.4357 -9.4357 -9.3398 -9.3398 -7.4718 -7.4718 -5.7322 -5.7322 -4.9749 -4.9749 -4.9744 -4.9743 -0.1162 -0.1162 -0.1043 -0.1027 0.7840 0.7840 0.7914 0.7930 2.1154 2.1154 3.9188 3.9188 9.6284 9.6284 10.2428 10.2428 11.6027 11.6037 k = 0.3942 0.3145 0.2617 ( 2919 PWs) bands (ev): -25.8605 -25.8605 -23.5573 -23.5573 -17.8064 -17.8064 -17.8043 -17.8042 -9.6827 -9.6827 -9.4329 -9.4329 -9.3381 -9.3380 -7.4787 -7.4787 -5.7260 -5.7260 -4.9752 -4.9752 -4.9747 -4.9746 -0.1206 -0.1206 -0.1089 -0.1072 0.7820 0.7820 0.7895 0.7913 2.1133 2.1133 3.9256 3.9256 9.6225 9.6225 10.1863 10.1863 11.5940 11.5951 k = 0.3846 0.3069 0.2554 ( 2925 PWs) bands (ev): -25.8608 -25.8608 -23.5577 -23.5577 -17.8059 -17.8059 -17.8037 -17.8037 -9.6789 -9.6789 -9.4300 -9.4300 -9.3362 -9.3361 -7.4860 -7.4860 -5.7195 -5.7195 -4.9754 -4.9754 -4.9751 -4.9750 -0.1253 -0.1253 -0.1139 -0.1121 0.7799 0.7799 0.7876 0.7894 2.1110 2.1110 3.9329 3.9329 9.6144 9.6144 10.1302 10.1302 11.5797 11.5809 k = 0.3750 0.2992 0.2490 ( 2925 PWs) bands (ev): -25.8612 -25.8612 -23.5581 -23.5581 -17.8053 -17.8053 -17.8032 -17.8031 -9.6748 -9.6748 -9.4268 -9.4268 -9.3341 -9.3341 -7.4938 -7.4938 -5.7125 -5.7125 -4.9757 -4.9757 -4.9755 -4.9753 -0.1304 -0.1304 -0.1193 -0.1173 0.7777 0.7777 0.7856 0.7876 2.1085 2.1085 3.9406 3.9406 9.6033 9.6033 10.0761 10.0761 11.5567 11.5576 k = 0.3654 0.2915 0.2426 ( 2919 PWs) bands (ev): -25.8616 -25.8616 -23.5586 -23.5586 -17.8047 -17.8047 -17.8026 -17.8025 -9.6705 -9.6705 -9.4233 -9.4233 -9.3319 -9.3319 -7.5020 -7.5020 -5.7051 -5.7051 -4.9760 -4.9760 -4.9759 -4.9757 -0.1359 -0.1359 -0.1251 -0.1230 0.7756 0.7756 0.7837 0.7858 2.1059 2.1059 3.9487 3.9487 9.5877 9.5877 10.0261 10.0261 11.5257 11.5257 k = 0.3558 0.2839 0.2362 ( 2919 PWs) bands (ev): -25.8621 -25.8621 -23.5590 -23.5590 -17.8041 -17.8041 -17.8019 -17.8019 -9.6660 -9.6660 -9.4197 -9.4197 -9.3297 -9.3296 -7.5105 -7.5105 -5.6973 -5.6973 -4.9763 -4.9763 -4.9763 -4.9762 -0.1418 -0.1418 -0.1312 -0.1290 0.7734 0.7734 0.7818 0.7839 2.1032 2.1032 3.9571 3.9571 9.5659 9.5659 9.9823 9.9823 11.4855 11.4856 k = 0.3462 0.2762 0.2298 ( 2919 PWs) bands (ev): -25.8625 -25.8625 -23.5595 -23.5595 -17.8034 -17.8034 -17.8012 -17.8012 -9.6613 -9.6613 -9.4159 -9.4159 -9.3273 -9.3272 -7.5194 -7.5194 -5.6892 -5.6892 -4.9767 -4.9766 -4.9766 -4.9766 -0.1480 -0.1480 -0.1377 -0.1355 0.7713 0.7713 0.7799 0.7821 2.1003 2.1003 3.9659 3.9659 9.5364 9.5364 9.9470 9.9470 11.4382 11.4383 k = 0.3365 0.2685 0.2234 ( 2925 PWs) bands (ev): -25.8630 -25.8630 -23.5600 -23.5600 -17.8027 -17.8027 -17.8005 -17.8005 -9.6565 -9.6565 -9.4119 -9.4119 -9.3248 -9.3247 -7.5286 -7.5286 -5.6808 -5.6808 -4.9772 -4.9771 -4.9769 -4.9769 -0.1546 -0.1546 -0.1445 -0.1422 0.7693 0.7693 0.7781 0.7804 2.0973 2.0973 3.9748 3.9748 9.4982 9.4982 9.9213 9.9213 11.3854 11.3854 k = 0.3269 0.2608 0.2171 ( 2931 PWs) bands (ev): -25.8635 -25.8635 -23.5605 -23.5605 -17.8020 -17.8020 -17.7998 -17.7998 -9.6516 -9.6516 -9.4077 -9.4077 -9.3222 -9.3222 -7.5380 -7.5380 -5.6722 -5.6722 -4.9777 -4.9775 -4.9772 -4.9772 -0.1615 -0.1615 -0.1517 -0.1493 0.7673 0.7673 0.7763 0.7787 2.0942 2.0942 3.9839 3.9839 9.4517 9.4517 9.9054 9.9054 11.3284 11.3284 k = 0.3173 0.2532 0.2107 ( 2931 PWs) bands (ev): -25.8640 -25.8640 -23.5610 -23.5610 -17.8012 -17.8012 -17.7991 -17.7991 -9.6465 -9.6465 -9.4034 -9.4034 -9.3196 -9.3195 -7.5475 -7.5475 -5.6634 -5.6634 -4.9782 -4.9780 -4.9776 -4.9776 -0.1687 -0.1687 -0.1592 -0.1567 0.7655 0.7655 0.7747 0.7772 2.0910 2.0910 3.9932 3.9932 9.3983 9.3983 9.8984 9.8984 11.2688 11.2688 k = 0.3077 0.2455 0.2043 ( 2925 PWs) bands (ev): -25.8646 -25.8646 -23.5615 -23.5615 -17.8005 -17.8005 -17.7983 -17.7983 -9.6414 -9.6414 -9.3989 -9.3989 -9.3168 -9.3168 -7.5572 -7.5572 -5.6543 -5.6543 -4.9787 -4.9785 -4.9779 -4.9779 -0.1761 -0.1761 -0.1669 -0.1644 0.7637 0.7637 0.7733 0.7758 2.0878 2.0878 4.0026 4.0026 9.3397 9.3397 9.8990 9.8990 11.2074 11.2074 k = 0.2981 0.2378 0.1979 ( 2934 PWs) bands (ev): -25.8651 -25.8651 -23.5621 -23.5621 -17.7997 -17.7997 -17.7975 -17.7975 -9.6362 -9.6362 -9.3943 -9.3943 -9.3140 -9.3140 -7.5670 -7.5670 -5.6452 -5.6452 -4.9792 -4.9790 -4.9783 -4.9783 -0.1839 -0.1839 -0.1749 -0.1723 0.7621 0.7621 0.7719 0.7744 2.0844 2.0844 4.0120 4.0120 9.2775 9.2775 9.9057 9.9057 11.1451 11.1491 k = 0.2885 0.2302 0.1915 ( 2935 PWs) bands (ev): -25.8657 -25.8657 -23.5627 -23.5627 -17.7989 -17.7989 -17.7967 -17.7967 -9.6310 -9.6310 -9.3895 -9.3895 -9.3112 -9.3111 -7.5767 -7.5767 -5.6360 -5.6360 -4.9797 -4.9796 -4.9786 -4.9786 -0.1918 -0.1918 -0.1831 -0.1805 0.7607 0.7607 0.7707 0.7733 2.0810 2.0810 4.0214 4.0214 9.2129 9.2129 9.9177 9.9177 11.0825 11.0825 k = 0.2788 0.2225 0.1851 ( 2935 PWs) bands (ev): -25.8662 -25.8662 -23.5632 -23.5632 -17.7981 -17.7981 -17.7959 -17.7959 -9.6258 -9.6258 -9.3847 -9.3847 -9.3083 -9.3083 -7.5865 -7.5865 -5.6267 -5.6267 -4.9802 -4.9801 -4.9790 -4.9790 -0.2000 -0.2000 -0.1914 -0.1889 0.7594 0.7594 0.7697 0.7722 2.0775 2.0775 4.0308 4.0308 9.1471 9.1471 9.9341 9.9341 11.0202 11.0202 k = 0.2692 0.2148 0.1788 ( 2929 PWs) bands (ev): -25.8668 -25.8668 -23.5638 -23.5638 -17.7972 -17.7972 -17.7951 -17.7951 -9.6206 -9.6206 -9.3798 -9.3798 -9.3054 -9.3054 -7.5962 -7.5962 -5.6174 -5.6174 -4.9808 -4.9806 -4.9793 -4.9793 -0.2083 -0.2083 -0.2000 -0.1974 0.7582 0.7582 0.7688 0.7714 2.0741 2.0741 4.0401 4.0401 9.0807 9.0807 9.9546 9.9546 10.9583 10.9583 k = 0.2596 0.2071 0.1724 ( 2926 PWs) bands (ev): -25.8674 -25.8674 -23.5643 -23.5643 -17.7964 -17.7964 -17.7942 -17.7942 -9.6155 -9.6155 -9.3748 -9.3748 -9.3025 -9.3024 -7.6058 -7.6058 -5.6081 -5.6081 -4.9813 -4.9811 -4.9797 -4.9797 -0.2168 -0.2168 -0.2086 -0.2061 0.7573 0.7573 0.7681 0.7707 2.0705 2.0705 4.0493 4.0493 9.0144 9.0144 9.9786 9.9786 10.8973 10.8973 k = 0.2500 0.1995 0.1660 ( 2917 PWs) bands (ev): -25.8679 -25.8679 -23.5649 -23.5649 -17.7956 -17.7956 -17.7934 -17.7934 -9.6104 -9.6104 -9.3698 -9.3698 -9.2996 -9.2995 -7.6153 -7.6153 -5.5989 -5.5989 -4.9818 -4.9817 -4.9800 -4.9800 -0.2253 -0.2253 -0.2174 -0.2148 0.7565 0.7565 0.7675 0.7701 2.0670 2.0670 4.0584 4.0584 8.9486 8.9486 10.0060 10.0060 10.8374 10.8374 k = 0.2404 0.1918 0.1596 ( 2917 PWs) bands (ev): -25.8685 -25.8685 -23.5654 -23.5654 -17.7947 -17.7947 -17.7926 -17.7925 -9.6054 -9.6054 -9.3648 -9.3648 -9.2967 -9.2966 -7.6246 -7.6246 -5.5897 -5.5897 -4.9824 -4.9822 -4.9804 -4.9804 -0.2340 -0.2340 -0.2262 -0.2237 0.7558 0.7558 0.7671 0.7697 2.0635 2.0635 4.0673 4.0673 8.8837 8.8837 10.0365 10.0365 10.7787 10.7787 k = 0.2308 0.1841 0.1532 ( 2917 PWs) bands (ev): -25.8691 -25.8691 -23.5660 -23.5660 -17.7939 -17.7939 -17.7917 -17.7917 -9.6004 -9.6004 -9.3598 -9.3598 -9.2937 -9.2937 -7.6336 -7.6336 -5.5807 -5.5807 -4.9829 -4.9827 -4.9808 -4.9808 -0.2426 -0.2426 -0.2350 -0.2325 0.7554 0.7554 0.7669 0.7694 2.0600 2.0600 4.0760 4.0760 8.8199 8.8199 10.0700 10.0701 10.7215 10.7215 k = 0.2212 0.1765 0.1468 ( 2917 PWs) bands (ev): -25.8697 -25.8697 -23.5665 -23.5665 -17.7931 -17.7931 -17.7909 -17.7909 -9.5956 -9.5956 -9.3549 -9.3549 -9.2909 -9.2908 -7.6425 -7.6425 -5.5719 -5.5719 -4.9834 -4.9833 -4.9811 -4.9811 -0.2513 -0.2513 -0.2438 -0.2414 0.7551 0.7551 0.7668 0.7693 2.0565 2.0565 4.0844 4.0844 8.7575 8.7575 10.1064 10.1064 10.6658 10.6658 k = 0.2115 0.1688 0.1404 ( 2917 PWs) bands (ev): -25.8702 -25.8702 -23.5671 -23.5671 -17.7922 -17.7922 -17.7901 -17.7901 -9.5910 -9.5910 -9.3500 -9.3500 -9.2880 -9.2880 -7.6510 -7.6510 -5.5633 -5.5633 -4.9839 -4.9838 -4.9815 -4.9815 -0.2599 -0.2599 -0.2525 -0.2502 0.7549 0.7549 0.7669 0.7693 2.0531 2.0531 4.0926 4.0926 8.6968 8.6968 10.1455 10.1455 10.6118 10.6118 k = 0.2019 0.1611 0.1341 ( 2917 PWs) bands (ev): -25.8708 -25.8708 -23.5676 -23.5676 -17.7914 -17.7914 -17.7893 -17.7892 -9.5864 -9.5864 -9.3451 -9.3451 -9.2852 -9.2852 -7.6592 -7.6592 -5.5549 -5.5549 -4.9844 -4.9843 -4.9818 -4.9818 -0.2684 -0.2684 -0.2612 -0.2589 0.7549 0.7549 0.7671 0.7695 2.0497 2.0497 4.1004 4.1004 8.6379 8.6379 10.1873 10.1873 10.5596 10.5596 k = 0.1923 0.1534 0.1277 ( 2923 PWs) bands (ev): -25.8714 -25.8714 -23.5681 -23.5681 -17.7906 -17.7906 -17.7885 -17.7885 -9.5821 -9.5821 -9.3404 -9.3404 -9.2825 -9.2824 -7.6670 -7.6670 -5.5467 -5.5467 -4.9849 -4.9848 -4.9821 -4.9821 -0.2769 -0.2769 -0.2697 -0.2674 0.7550 0.7550 0.7675 0.7698 2.0464 2.0464 4.1080 4.1080 8.5809 8.5809 10.2315 10.2315 10.5093 10.5093 k = 0.1827 0.1458 0.1213 ( 2929 PWs) bands (ev): -25.8719 -25.8719 -23.5686 -23.5686 -17.7899 -17.7899 -17.7877 -17.7877 -9.5779 -9.5779 -9.3358 -9.3358 -9.2798 -9.2798 -7.6745 -7.6745 -5.5389 -5.5389 -4.9854 -4.9853 -4.9824 -4.9824 -0.2851 -0.2851 -0.2781 -0.2759 0.7553 0.7553 0.7679 0.7701 2.0432 2.0432 4.1153 4.1153 8.5260 8.5260 10.2780 10.2780 10.4609 10.4609 k = 0.1731 0.1381 0.1149 ( 2929 PWs) bands (ev): -25.8725 -25.8725 -23.5691 -23.5691 -17.7891 -17.7891 -17.7869 -17.7869 -9.5739 -9.5739 -9.3313 -9.3313 -9.2772 -9.2772 -7.6817 -7.6817 -5.5313 -5.5313 -4.9859 -4.9857 -4.9828 -4.9828 -0.2932 -0.2932 -0.2862 -0.2841 0.7556 0.7556 0.7685 0.7706 2.0400 2.0400 4.1222 4.1222 8.4734 8.4734 10.3267 10.3267 10.4146 10.4146 k = 0.1635 0.1304 0.1085 ( 2926 PWs) bands (ev): -25.8730 -25.8730 -23.5695 -23.5695 -17.7884 -17.7884 -17.7862 -17.7862 -9.5700 -9.5700 -9.3270 -9.3270 -9.2747 -9.2747 -7.6884 -7.6884 -5.5240 -5.5240 -4.9863 -4.9862 -4.9831 -4.9831 -0.3010 -0.3010 -0.2941 -0.2921 0.7561 0.7561 0.7691 0.7711 2.0370 2.0370 4.1288 4.1288 8.4231 8.4231 10.3703 10.3703 10.3738 10.3741 k = 0.1538 0.1227 0.1021 ( 2920 PWs) bands (ev): -25.8735 -25.8735 -23.5700 -23.5700 -17.7877 -17.7877 -17.7855 -17.7855 -9.5663 -9.5663 -9.3228 -9.3228 -9.2723 -9.2722 -7.6947 -7.6947 -5.5171 -5.5171 -4.9868 -4.9866 -4.9833 -4.9833 -0.3086 -0.3086 -0.3017 -0.2998 0.7566 0.7566 0.7698 0.7718 2.0340 2.0340 4.1350 4.1350 8.3752 8.3752 10.3285 10.3285 10.3317 10.3320 k = 0.1442 0.1151 0.0958 ( 2908 PWs) bands (ev): -25.8739 -25.8739 -23.5704 -23.5704 -17.7870 -17.7870 -17.7848 -17.7848 -9.5629 -9.5629 -9.3188 -9.3188 -9.2700 -9.2699 -7.7006 -7.7006 -5.5106 -5.5106 -4.9872 -4.9871 -4.9836 -4.9836 -0.3159 -0.3159 -0.3091 -0.3072 0.7572 0.7572 0.7706 0.7725 2.0312 2.0312 4.1409 4.1409 8.3299 8.3299 10.2887 10.2887 10.2918 10.2921 k = 0.1346 0.1074 0.0894 ( 2908 PWs) bands (ev): -25.8744 -25.8744 -23.5708 -23.5708 -17.7863 -17.7863 -17.7841 -17.7841 -9.5596 -9.5596 -9.3150 -9.3150 -9.2678 -9.2677 -7.7061 -7.7061 -5.5044 -5.5044 -4.9876 -4.9875 -4.9839 -4.9839 -0.3229 -0.3229 -0.3161 -0.3143 0.7578 0.7578 0.7714 0.7732 2.0285 2.0285 4.1464 4.1464 8.2872 8.2872 10.2513 10.2513 10.2543 10.2546 k = 0.1250 0.0997 0.0830 ( 2920 PWs) bands (ev): -25.8748 -25.8748 -23.5712 -23.5712 -17.7857 -17.7857 -17.7835 -17.7835 -9.5566 -9.5566 -9.3115 -9.3115 -9.2657 -9.2657 -7.7112 -7.7112 -5.4986 -5.4986 -4.9880 -4.9878 -4.9841 -4.9841 -0.3296 -0.3296 -0.3227 -0.3211 0.7585 0.7585 0.7722 0.7739 2.0260 2.0260 4.1515 4.1515 8.2471 8.2471 10.2162 10.2162 10.2191 10.2194 k = 0.1154 0.0921 0.0766 ( 2920 PWs) bands (ev): -25.8752 -25.8752 -23.5716 -23.5716 -17.7851 -17.7851 -17.7829 -17.7829 -9.5538 -9.5538 -9.3081 -9.3081 -9.2638 -9.2637 -7.7159 -7.7159 -5.4932 -5.4932 -4.9883 -4.9882 -4.9844 -4.9844 -0.3358 -0.3358 -0.3290 -0.3275 0.7592 0.7592 0.7731 0.7746 2.0236 2.0236 4.1562 4.1562 8.2098 8.2098 10.1835 10.1835 10.1863 10.1866 k = 0.1058 0.0844 0.0702 ( 2926 PWs) bands (ev): -25.8756 -25.8756 -23.5719 -23.5719 -17.7846 -17.7846 -17.7824 -17.7824 -9.5512 -9.5512 -9.3050 -9.3050 -9.2620 -9.2619 -7.7201 -7.7201 -5.4882 -5.4882 -4.9886 -4.9885 -4.9846 -4.9846 -0.3417 -0.3417 -0.3348 -0.3334 0.7599 0.7599 0.7739 0.7753 2.0213 2.0213 4.1606 4.1606 8.1752 8.1752 10.1533 10.1533 10.1560 10.1563 k = 0.0962 0.0767 0.0638 ( 2938 PWs) bands (ev): -25.8760 -25.8760 -23.5722 -23.5722 -17.7841 -17.7841 -17.7819 -17.7819 -9.5488 -9.5488 -9.3022 -9.3022 -9.2603 -9.2603 -7.7240 -7.7240 -5.4837 -5.4837 -4.9890 -4.9889 -4.9848 -4.9848 -0.3471 -0.3471 -0.3402 -0.3390 0.7606 0.7606 0.7747 0.7760 2.0192 2.0192 4.1646 4.1646 8.1435 8.1435 10.1256 10.1256 10.1282 10.1284 k = 0.0865 0.0690 0.0575 ( 2938 PWs) bands (ev): -25.8763 -25.8763 -23.5725 -23.5725 -17.7837 -17.7837 -17.7815 -17.7814 -9.5467 -9.5467 -9.2996 -9.2996 -9.2587 -9.2587 -7.7274 -7.7274 -5.4795 -5.4795 -4.9892 -4.9891 -4.9850 -4.9850 -0.3521 -0.3521 -0.3452 -0.3440 0.7613 0.7613 0.7755 0.7767 2.0174 2.0174 4.1681 4.1681 8.1148 8.1148 10.1004 10.1004 10.1029 10.1031 k = 0.0769 0.0614 0.0511 ( 2944 PWs) bands (ev): -25.8766 -25.8766 -23.5727 -23.5727 -17.7832 -17.7832 -17.7810 -17.7810 -9.5447 -9.5447 -9.2973 -9.2973 -9.2573 -9.2573 -7.7305 -7.7305 -5.4758 -5.4758 -4.9895 -4.9894 -4.9851 -4.9851 -0.3566 -0.3566 -0.3497 -0.3486 0.7619 0.7619 0.7763 0.7773 2.0156 2.0156 4.1713 4.1713 8.0889 8.0889 10.0777 10.0777 10.0802 10.0804 k = 0.0673 0.0537 0.0447 ( 2944 PWs) bands (ev): -25.8769 -25.8769 -23.5730 -23.5730 -17.7829 -17.7829 -17.7807 -17.7807 -9.5430 -9.5430 -9.2952 -9.2952 -9.2561 -9.2561 -7.7331 -7.7331 -5.4725 -5.4725 -4.9897 -4.9896 -4.9853 -4.9853 -0.3606 -0.3606 -0.3536 -0.3527 0.7625 0.7625 0.7770 0.7779 2.0141 2.0141 4.1742 4.1742 8.0660 8.0660 10.0577 10.0577 10.0601 10.0603 k = 0.0577 0.0460 0.0383 ( 2944 PWs) bands (ev): -25.8771 -25.8771 -23.5732 -23.5732 -17.7825 -17.7825 -17.7803 -17.7803 -9.5415 -9.5415 -9.2934 -9.2934 -9.2550 -9.2550 -7.7354 -7.7354 -5.4697 -5.4697 -4.9899 -4.9898 -4.9854 -4.9854 -0.3641 -0.3641 -0.3571 -0.3563 0.7630 0.7630 0.7776 0.7784 2.0128 2.0128 4.1766 4.1766 8.0461 8.0461 10.0402 10.0402 10.0426 10.0428 k = 0.0481 0.0384 0.0319 ( 2938 PWs) bands (ev): -25.8773 -25.8773 -23.5733 -23.5733 -17.7823 -17.7823 -17.7801 -17.7801 -9.5403 -9.5403 -9.2919 -9.2919 -9.2541 -9.2541 -7.7373 -7.7373 -5.4672 -5.4672 -4.9901 -4.9900 -4.9855 -4.9855 -0.3671 -0.3671 -0.3601 -0.3594 0.7635 0.7635 0.7782 0.7789 2.0117 2.0117 4.1787 4.1787 8.0292 8.0292 10.0255 10.0255 10.0278 10.0279 k = 0.0385 0.0307 0.0255 ( 2938 PWs) bands (ev): -25.8775 -25.8775 -23.5735 -23.5735 -17.7820 -17.7820 -17.7798 -17.7798 -9.5392 -9.5392 -9.2906 -9.2906 -9.2533 -9.2533 -7.7389 -7.7389 -5.4653 -5.4653 -4.9902 -4.9902 -4.9856 -4.9856 -0.3696 -0.3696 -0.3625 -0.3620 0.7639 0.7639 0.7787 0.7792 2.0107 2.0107 4.1804 4.1804 8.0154 8.0154 10.0134 10.0134 10.0157 10.0158 k = 0.0288 0.0230 0.0192 ( 2923 PWs) bands (ev): -25.8776 -25.8776 -23.5736 -23.5736 -17.7818 -17.7818 -17.7796 -17.7796 -9.5384 -9.5384 -9.2896 -9.2896 -9.2527 -9.2527 -7.7401 -7.7401 -5.4637 -5.4637 -4.9903 -4.9903 -4.9857 -4.9857 -0.3715 -0.3715 -0.3643 -0.3639 0.7642 0.7642 0.7791 0.7795 2.0100 2.0100 4.1818 4.1818 8.0046 8.0046 10.0039 10.0039 10.0062 10.0063 k = 0.0192 0.0153 0.0128 ( 2917 PWs) bands (ev): -25.8777 -25.8777 -23.5736 -23.5736 -17.7817 -17.7817 -17.7795 -17.7795 -9.5378 -9.5378 -9.2889 -9.2889 -9.2523 -9.2523 -7.7410 -7.7410 -5.4626 -5.4626 -4.9904 -4.9903 -4.9857 -4.9857 -0.3729 -0.3729 -0.3657 -0.3654 0.7644 0.7644 0.7794 0.7797 2.0095 2.0095 4.1827 4.1827 7.9969 7.9969 9.9972 9.9972 9.9994 9.9995 k = 0.0096 0.0077 0.0064 ( 2923 PWs) bands (ev): -25.8777 -25.8777 -23.5737 -23.5737 -17.7816 -17.7816 -17.7794 -17.7794 -9.5375 -9.5375 -9.2885 -9.2885 -9.2520 -9.2520 -7.7415 -7.7415 -5.4619 -5.4619 -4.9904 -4.9904 -4.9858 -4.9858 -0.3737 -0.3737 -0.3664 -0.3663 0.7646 0.7646 0.7797 0.7798 2.0092 2.0092 4.1833 4.1833 7.9923 7.9923 9.9931 9.9931 9.9954 9.9954 k = 0.0000 0.0000 0.0000 ( 2923 PWs) bands (ev): -25.8777 -25.8777 -23.5737 -23.5737 -17.7816 -17.7816 -17.7794 -17.7794 -9.5374 -9.5374 -9.2883 -9.2883 -9.2519 -9.2519 -7.7416 -7.7416 -5.4617 -5.4617 -4.9904 -4.9904 -4.9858 -4.9858 -0.3740 -0.3740 -0.3667 -0.3667 0.7646 0.7646 0.7798 0.7798 2.0091 2.0091 4.1835 4.1835 7.9908 7.9908 9.9917 9.9917 9.9940 9.9940 k = 0.0000 0.0000 0.0000 ( 2923 PWs) bands (ev): -25.8777 -25.8777 -23.5737 -23.5737 -17.7816 -17.7816 -17.7794 -17.7794 -9.5374 -9.5374 -9.2883 -9.2883 -9.2519 -9.2519 -7.7416 -7.7416 -5.4617 -5.4617 -4.9904 -4.9904 -4.9858 -4.9858 -0.3740 -0.3740 -0.3667 -0.3667 0.7646 0.7646 0.7798 0.7798 2.0091 2.0091 4.1835 4.1835 7.9908 7.9908 9.9917 9.9917 9.9940 9.9940 k = 0.0086-0.0020-0.0106 ( 2925 PWs) bands (ev): -25.8777 -25.8777 -23.5737 -23.5737 -17.7817 -17.7816 -17.7794 -17.7794 -9.5395 -9.5355 -9.2909 -9.2861 -9.2520 -9.2520 -7.7413 -7.7405 -5.4617 -5.4617 -4.9905 -4.9905 -4.9859 -4.9858 -0.3741 -0.3740 -0.3667 -0.3667 0.7642 0.7643 0.7794 0.7794 2.0084 2.0086 4.1836 4.1840 7.9925 7.9928 9.9924 9.9926 9.9951 9.9951 k = 0.0173-0.0039-0.0213 ( 2915 PWs) bands (ev): -25.8776 -25.8776 -23.5737 -23.5737 -17.7818 -17.7817 -17.7795 -17.7795 -9.5417 -9.5338 -9.2938 -9.2842 -9.2521 -9.2521 -7.7395 -7.7379 -5.4618 -5.4618 -4.9908 -4.9907 -4.9860 -4.9859 -0.3745 -0.3743 -0.3669 -0.3669 0.7630 0.7631 0.7783 0.7783 2.0066 2.0069 4.1845 4.1852 7.9979 7.9986 9.9939 9.9941 9.9992 9.9994 k = 0.0259-0.0059-0.0319 ( 2907 PWs) bands (ev): -25.8775 -25.8775 -23.5738 -23.5738 -17.7819 -17.7819 -17.7797 -17.7796 -9.5441 -9.5323 -9.2970 -9.2827 -9.2524 -9.2522 -7.7363 -7.7340 -5.4620 -5.4620 -4.9916 -4.9913 -4.9860 -4.9858 -0.3753 -0.3749 -0.3671 -0.3670 0.7608 0.7609 0.7767 0.7768 2.0037 2.0042 4.1859 4.1870 8.0071 8.0082 9.9957 9.9959 10.0067 10.0069 k = 0.0345-0.0079-0.0426 ( 2915 PWs) bands (ev): -25.8774 -25.8774 -23.5738 -23.5738 -17.7822 -17.7821 -17.7799 -17.7798 -9.5467 -9.5311 -9.3006 -9.2815 -9.2529 -9.2525 -7.7318 -7.7286 -5.4623 -5.4622 -4.9929 -4.9924 -4.9858 -4.9853 -0.3766 -0.3760 -0.3672 -0.3669 0.7574 0.7576 0.7748 0.7751 1.9997 2.0003 4.1879 4.1894 8.0199 8.0214 9.9981 9.9983 10.0173 10.0176 k = 0.0432-0.0098-0.0532 ( 2915 PWs) bands (ev): -25.8772 -25.8772 -23.5739 -23.5739 -17.7826 -17.7824 -17.7802 -17.7800 -9.5493 -9.5300 -9.3044 -9.2806 -9.2536 -9.2528 -7.7258 -7.7220 -5.4626 -5.4624 -4.9948 -4.9942 -4.9852 -4.9846 -0.3785 -0.3778 -0.3669 -0.3665 0.7527 0.7530 0.7729 0.7733 1.9946 1.9954 4.1906 4.1923 8.0365 8.0383 10.0011 10.0015 10.0308 10.0312 k = 0.0518-0.0118-0.0639 ( 2909 PWs) bands (ev): -25.8769 -25.8769 -23.5740 -23.5740 -17.7831 -17.7828 -17.7805 -17.7802 -9.5520 -9.5293 -9.3084 -9.2799 -9.2545 -9.2531 -7.7186 -7.7141 -5.4629 -5.4628 -4.9973 -4.9964 -4.9844 -4.9835 -0.3811 -0.3802 -0.3663 -0.3658 0.7467 0.7471 0.7710 0.7716 1.9886 1.9895 4.1937 4.1958 8.0566 8.0587 10.0049 10.0053 10.0471 10.0477 k = 0.0604-0.0138-0.0745 ( 2923 PWs) bands (ev): -25.8766 -25.8766 -23.5741 -23.5741 -17.7838 -17.7834 -17.7808 -17.7804 -9.5549 -9.5288 -9.3126 -9.2794 -9.2557 -9.2535 -7.7102 -7.7051 -5.4633 -5.4631 -5.0003 -4.9993 -4.9833 -4.9822 -0.3842 -0.3832 -0.3655 -0.3649 0.7396 0.7401 0.7691 0.7699 1.9816 1.9826 4.1973 4.1997 8.0802 8.0826 10.0095 10.0099 10.0662 10.0669 k = 0.0691-0.0157-0.0851 ( 2921 PWs) bands (ev): -25.8763 -25.8763 -23.5742 -23.5742 -17.7845 -17.7840 -17.7811 -17.7805 -9.5577 -9.5285 -9.3170 -9.2791 -9.2572 -9.2539 -7.7007 -7.6950 -5.4636 -5.4635 -5.0038 -5.0026 -4.9819 -4.9807 -0.3879 -0.3867 -0.3643 -0.3637 0.7316 0.7322 0.7672 0.7681 1.9737 1.9749 4.2014 4.2040 8.1072 8.1100 10.0148 10.0153 10.0880 10.0887 k = 0.0777-0.0177-0.0958 ( 2913 PWs) bands (ev): -25.8759 -25.8759 -23.5743 -23.5743 -17.7854 -17.7847 -17.7814 -17.7807 -9.5606 -9.5285 -9.3213 -9.2789 -9.2589 -9.2544 -7.6902 -7.6840 -5.4641 -5.4639 -5.0078 -5.0064 -4.9804 -4.9790 -0.3921 -0.3907 -0.3630 -0.3622 0.7229 0.7236 0.7651 0.7662 1.9651 1.9664 4.2057 4.2086 8.1375 8.1406 10.0210 10.0215 10.1122 10.1130 k = 0.0864-0.0197-0.1064 ( 2917 PWs) bands (ev): -25.8756 -25.8756 -23.5745 -23.5745 -17.7863 -17.7856 -17.7817 -17.7809 -9.5634 -9.5287 -9.3257 -9.2789 -9.2608 -9.2549 -7.6788 -7.6722 -5.4645 -5.4643 -5.0122 -5.0107 -4.9786 -4.9771 -0.3967 -0.3952 -0.3615 -0.3606 0.7137 0.7144 0.7629 0.7641 1.9558 1.9572 4.2103 4.2134 8.1710 8.1743 10.0281 10.0285 10.1387 10.1397 k = 0.0950-0.0216-0.1171 ( 2909 PWs) bands (ev): -25.8751 -25.8751 -23.5746 -23.5746 -17.7874 -17.7865 -17.7820 -17.7811 -9.5662 -9.5292 -9.3300 -9.2790 -9.2630 -9.2554 -7.6666 -7.6596 -5.4649 -5.4647 -5.0171 -5.0154 -4.9767 -4.9750 -0.4016 -0.4000 -0.3598 -0.3588 0.7041 0.7049 0.7605 0.7618 1.9459 1.9475 4.2151 4.2184 8.2075 8.2111 10.0360 10.0365 10.1675 10.1685 k = 0.1036-0.0236-0.1277 ( 2909 PWs) bands (ev): -25.8747 -25.8747 -23.5747 -23.5747 -17.7885 -17.7876 -17.7822 -17.7813 -9.5690 -9.5300 -9.3342 -9.2792 -9.2655 -9.2560 -7.6538 -7.6465 -5.4654 -5.4651 -5.0225 -5.0206 -4.9746 -4.9728 -0.4070 -0.4052 -0.3580 -0.3569 0.6944 0.6953 0.7578 0.7593 1.9355 1.9372 4.2200 4.2235 8.2469 8.2508 10.0449 10.0453 10.1982 10.1993 k = 0.1123-0.0256-0.1384 ( 2909 PWs) bands (ev): -25.8742 -25.8742 -23.5749 -23.5749 -17.7898 -17.7888 -17.7825 -17.7815 -9.5717 -9.5310 -9.3382 -9.2795 -9.2681 -9.2567 -7.6404 -7.6329 -5.4658 -5.4655 -5.0282 -5.0263 -4.9723 -4.9704 -0.4126 -0.4106 -0.3560 -0.3548 0.6848 0.6857 0.7549 0.7565 1.9247 1.9265 4.2249 4.2286 8.2891 8.2932 10.0548 10.0552 10.2307 10.2319 k = 0.1209-0.0275-0.1490 ( 2909 PWs) bands (ev): -25.8737 -25.8737 -23.5750 -23.5750 -17.7911 -17.7900 -17.7828 -17.7817 -9.5742 -9.5322 -9.3421 -9.2800 -9.2709 -9.2574 -7.6267 -7.6189 -5.4662 -5.4658 -5.0344 -5.0323 -4.9700 -4.9678 -0.4184 -0.4163 -0.3539 -0.3526 0.6753 0.6762 0.7517 0.7534 1.9137 1.9155 4.2298 4.2336 8.3337 8.3381 10.0656 10.0660 10.2649 10.2662 k = 0.1295-0.0295-0.1596 ( 2905 PWs) bands (ev): -25.8731 -25.8731 -23.5751 -23.5751 -17.7925 -17.7913 -17.7831 -17.7819 -9.5766 -9.5336 -9.3457 -9.2808 -9.2736 -9.2581 -7.6126 -7.6048 -5.4666 -5.4662 -5.0410 -5.0388 -4.9675 -4.9652 -0.4244 -0.4221 -0.3516 -0.3502 0.6662 0.6671 0.7482 0.7501 1.9024 1.9044 4.2345 4.2384 8.3807 8.3853 10.0775 10.0778 10.3005 10.3019 k = 0.1382-0.0315-0.1703 ( 2905 PWs) bands (ev): -25.8726 -25.8726 -23.5752 -23.5752 -17.7939 -17.7927 -17.7834 -17.7821 -9.5789 -9.5353 -9.3490 -9.2822 -9.2759 -9.2589 -7.5985 -7.5906 -5.4669 -5.4665 -5.0479 -5.0456 -4.9648 -4.9624 -0.4304 -0.4280 -0.3492 -0.3477 0.6575 0.6585 0.7443 0.7464 1.8911 1.8931 4.2391 4.2431 8.4299 8.4346 10.0904 10.0907 10.3374 10.3389 k = 0.1468-0.0334-0.1809 ( 2901 PWs) bands (ev): -25.8720 -25.8720 -23.5753 -23.5753 -17.7954 -17.7942 -17.7836 -17.7824 -9.5810 -9.5371 -9.3521 -9.2845 -9.2774 -9.2597 -7.5843 -7.5764 -5.4673 -5.4667 -5.0552 -5.0528 -4.9621 -4.9595 -0.4365 -0.4339 -0.3468 -0.3451 0.6495 0.6505 0.7402 0.7425 1.8798 1.8819 4.2435 4.2475 8.4809 8.4858 10.1045 10.1048 10.3753 10.3769 k = 0.1554-0.0354-0.1916 ( 2903 PWs) bands (ev): -25.8715 -25.8715 -23.5754 -23.5754 -17.7970 -17.7957 -17.7839 -17.7826 -9.5829 -9.5392 -9.3548 -9.2876 -9.2784 -9.2605 -7.5703 -7.5624 -5.4676 -5.4670 -5.0628 -5.0603 -4.9594 -4.9566 -0.4424 -0.4396 -0.3442 -0.3425 0.6422 0.6432 0.7357 0.7382 1.8686 1.8707 4.2475 4.2516 8.5336 8.5386 10.1196 10.1200 10.4141 10.4157 k = 0.1641-0.0374-0.2022 ( 2901 PWs) bands (ev): -25.8709 -25.8709 -23.5754 -23.5754 -17.7986 -17.7972 -17.7842 -17.7828 -9.5846 -9.5414 -9.3572 -9.2912 -9.2790 -9.2613 -7.5566 -7.5488 -5.4679 -5.4672 -5.0707 -5.0680 -4.9565 -4.9536 -0.4481 -0.4451 -0.3415 -0.3397 0.6357 0.6367 0.7309 0.7335 1.8576 1.8598 4.2513 4.2554 8.5877 8.5928 10.1360 10.1364 10.4535 10.4552 k = 0.1727-0.0393-0.2129 ( 2901 PWs) bands (ev): -25.8703 -25.8703 -23.5754 -23.5754 -17.8002 -17.7988 -17.7845 -17.7831 -9.5861 -9.5437 -9.3592 -9.2949 -9.2795 -9.2621 -7.5432 -7.5355 -5.4682 -5.4674 -5.0789 -5.0760 -4.9537 -4.9506 -0.4534 -0.4502 -0.3388 -0.3368 0.6300 0.6310 0.7258 0.7285 1.8469 1.8492 4.2546 4.2587 8.6428 8.6481 10.1536 10.1541 10.4933 10.4950 k = 0.1813-0.0413-0.2235 ( 2907 PWs) bands (ev): -25.8698 -25.8698 -23.5754 -23.5754 -17.8019 -17.8004 -17.7848 -17.7833 -9.5874 -9.5461 -9.3610 -9.2988 -9.2799 -9.2629 -7.5303 -7.5228 -5.4686 -5.4677 -5.0872 -5.0842 -4.9508 -4.9476 -0.4584 -0.4549 -0.3360 -0.3339 0.6254 0.6263 0.7203 0.7231 1.8366 1.8389 4.2576 4.2617 8.6988 8.7042 10.1724 10.1731 10.5333 10.5351 k = 0.1900-0.0433-0.2341 ( 2907 PWs) bands (ev): -25.8692 -25.8692 -23.5754 -23.5754 -17.8035 -17.8021 -17.7851 -17.7836 -9.5884 -9.5486 -9.3623 -9.3028 -9.2803 -9.2637 -7.5180 -7.5107 -5.4690 -5.4679 -5.0956 -5.0926 -4.9479 -4.9446 -0.4628 -0.4590 -0.3332 -0.3310 0.6217 0.6225 0.7144 0.7174 1.8268 1.8292 4.2601 4.2642 8.7551 8.7606 10.1927 10.1935 10.5733 10.5752 k = 0.1986-0.0452-0.2448 ( 2899 PWs) bands (ev): -25.8686 -25.8686 -23.5754 -23.5754 -17.8052 -17.8037 -17.7854 -17.7839 -9.5893 -9.5511 -9.3633 -9.3068 -9.2806 -9.2645 -7.5064 -7.4993 -5.4694 -5.4683 -5.1041 -5.1010 -4.9451 -4.9416 -0.4665 -0.4625 -0.3303 -0.3280 0.6189 0.6197 0.7082 0.7114 1.8176 1.8200 4.2622 4.2662 8.8116 8.8172 10.2144 10.2154 10.6132 10.6151 k = 0.2072-0.0472-0.2554 ( 2901 PWs) bands (ev): -25.8681 -25.8681 -23.5753 -23.5753 -17.8069 -17.8054 -17.7858 -17.7842 -9.5899 -9.5537 -9.3639 -9.3108 -9.2809 -9.2653 -7.4955 -7.4888 -5.4699 -5.4687 -5.1126 -5.1094 -4.9424 -4.9387 -0.4694 -0.4652 -0.3274 -0.3249 0.6172 0.6179 0.7017 0.7050 1.8090 1.8114 4.2638 4.2677 8.8678 8.8735 10.2375 10.2388 10.6526 10.6546 k = 0.2159-0.0492-0.2661 ( 2897 PWs) bands (ev): -25.8675 -25.8675 -23.5752 -23.5752 -17.8086 -17.8070 -17.7861 -17.7845 -9.5903 -9.5563 -9.3642 -9.3147 -9.2812 -9.2660 -7.4855 -7.4791 -5.4705 -5.4692 -5.1210 -5.1177 -4.9397 -4.9359 -0.4715 -0.4670 -0.3245 -0.3218 0.6164 0.6171 0.6949 0.6983 1.8011 1.8035 4.2649 4.2687 8.9234 8.9291 10.2623 10.2638 10.6914 10.6935 k = 0.2245-0.0511-0.2767 ( 2897 PWs) bands (ev): -25.8670 -25.8670 -23.5750 -23.5750 -17.8102 -17.8087 -17.7865 -17.7848 -9.5904 -9.5588 -9.3642 -9.3186 -9.2814 -9.2667 -7.4764 -7.4703 -5.4713 -5.4699 -5.1293 -5.1259 -4.9371 -4.9332 -0.4727 -0.4678 -0.3215 -0.3187 0.6164 0.6172 0.6878 0.6913 1.7939 1.7963 4.2655 4.2692 8.9778 8.9836 10.2887 10.2904 10.7295 10.7316 k = 0.2331-0.0531-0.2873 ( 2903 PWs) bands (ev): -25.8665 -25.8665 -23.5748 -23.5748 -17.8119 -17.8103 -17.7868 -17.7852 -9.5904 -9.5613 -9.3639 -9.3224 -9.2817 -9.2674 -7.4683 -7.4625 -5.4723 -5.4707 -5.1374 -5.1339 -4.9347 -4.9306 -0.4729 -0.4676 -0.3186 -0.3156 0.6171 0.6183 0.6804 0.6841 1.7875 1.7899 4.2656 4.2692 9.0308 9.0366 10.3169 10.3188 10.7666 10.7687 k = 0.2418-0.0551-0.2980 ( 2903 PWs) bands (ev): -25.8660 -25.8660 -23.5746 -23.5746 -17.8135 -17.8118 -17.7872 -17.7855 -9.5903 -9.5637 -9.3633 -9.3260 -9.2820 -9.2680 -7.4612 -7.4558 -5.4735 -5.4718 -5.1452 -5.1416 -4.9324 -4.9282 -0.4719 -0.4663 -0.3156 -0.3124 0.6184 0.6202 0.6730 0.6769 1.7820 1.7844 4.2652 4.2687 9.0820 9.0877 10.3468 10.3489 10.8025 10.8047 k = 0.2504-0.0570-0.3086 ( 2903 PWs) bands (ev): -25.8655 -25.8655 -23.5744 -23.5744 -17.8150 -17.8134 -17.7877 -17.7859 -9.5899 -9.5661 -9.3624 -9.3295 -9.2822 -9.2686 -7.4552 -7.4501 -5.4749 -5.4731 -5.1527 -5.1490 -4.9304 -4.9260 -0.4699 -0.4639 -0.3126 -0.3092 0.6198 0.6228 0.6656 0.6700 1.7774 1.7797 4.2643 4.2677 9.1308 9.1366 10.3784 10.3807 10.8371 10.8394 k = 0.2591-0.0590-0.3193 ( 2911 PWs) bands (ev): -25.8651 -25.8651 -23.5741 -23.5741 -17.8165 -17.8148 -17.7881 -17.7864 -9.5895 -9.5683 -9.3613 -9.3329 -9.2825 -9.2691 -7.4502 -7.4456 -5.4767 -5.4747 -5.1597 -5.1559 -4.9285 -4.9240 -0.4667 -0.4603 -0.3095 -0.3059 0.6207 0.6254 0.6586 0.6639 1.7736 1.7759 4.2629 4.2661 9.1771 9.1828 10.4117 10.4142 10.8703 10.8726 k = 0.2677-0.0610-0.3299 ( 2915 PWs) bands (ev): -25.8646 -25.8646 -23.5738 -23.5738 -17.8179 -17.8163 -17.7886 -17.7869 -9.5889 -9.5703 -9.3599 -9.3360 -9.2827 -9.2695 -7.4464 -7.4420 -5.4787 -5.4766 -5.1661 -5.1623 -4.9269 -4.9223 -0.4623 -0.4555 -0.3064 -0.3026 0.6201 0.6269 0.6532 0.6599 1.7708 1.7730 4.2611 4.2642 9.2204 9.2260 10.4466 10.4493 10.9019 10.9042 k = 0.2763-0.0629-0.3406 ( 2915 PWs) bands (ev): -25.8642 -25.8642 -23.5735 -23.5734 -17.8193 -17.8176 -17.7891 -17.7874 -9.5883 -9.5721 -9.3584 -9.3388 -9.2829 -9.2699 -7.4436 -7.4396 -5.4810 -5.4789 -5.1721 -5.1682 -4.9255 -4.9208 -0.4568 -0.4496 -0.3032 -0.2992 0.6168 0.6252 0.6514 0.6589 1.7689 1.7711 4.2588 4.2618 9.2604 9.2659 10.4827 10.4855 10.9318 10.9341 k = 0.2850-0.0649-0.3512 ( 2919 PWs) bands (ev): -25.8638 -25.8638 -23.5731 -23.5731 -17.8206 -17.8189 -17.7897 -17.7879 -9.5876 -9.5737 -9.3566 -9.3415 -9.2830 -9.2703 -7.4418 -7.4382 -5.4837 -5.4815 -5.1774 -5.1734 -4.9244 -4.9197 -0.4502 -0.4426 -0.2999 -0.2957 0.6109 0.6193 0.6540 0.6611 1.7679 1.7700 4.2561 4.2589 9.2971 9.3024 10.5198 10.5227 10.9598 10.9622 k = 0.2936-0.0669-0.3618 ( 2921 PWs) bands (ev): -25.8635 -25.8635 -23.5727 -23.5727 -17.8218 -17.8201 -17.7903 -17.7885 -9.5871 -9.5751 -9.3547 -9.3438 -9.2831 -9.2705 -7.4411 -7.4379 -5.4867 -5.4844 -5.1820 -5.1780 -4.9236 -4.9188 -0.4426 -0.4345 -0.2965 -0.2919 0.6029 0.6110 0.6593 0.6656 1.7678 1.7698 4.2530 4.2557 9.3301 9.3353 10.5573 10.5604 10.9858 10.9883 k = 0.3022-0.0688-0.3725 ( 2921 PWs) bands (ev): -25.8631 -25.8631 -23.5723 -23.5723 -17.8229 -17.8211 -17.7909 -17.7891 -9.5866 -9.5760 -9.3528 -9.3459 -9.2832 -9.2707 -7.4415 -7.4385 -5.4901 -5.4877 -5.1860 -5.1819 -4.9231 -4.9182 -0.4340 -0.4255 -0.2928 -0.2880 0.5937 0.6014 0.6661 0.6717 1.7685 1.7705 4.2496 4.2521 9.3596 9.3645 10.5947 10.5978 11.0096 11.0121 k = 0.3109-0.0708-0.3831 ( 2919 PWs) bands (ev): -25.8628 -25.8628 -23.5718 -23.5718 -17.8239 -17.8221 -17.7916 -17.7898 -9.5864 -9.5766 -9.3508 -9.3476 -9.2832 -9.2708 -7.4427 -7.4401 -5.4937 -5.4913 -5.1892 -5.1851 -4.9230 -4.9180 -0.4247 -0.4158 -0.2887 -0.2836 0.5836 0.5910 0.6738 0.6788 1.7702 1.7720 4.2458 4.2481 9.3854 9.3901 10.6312 10.6343 11.0310 11.0336 k = 0.3195-0.0728-0.3938 ( 2921 PWs) bands (ev): -25.8625 -25.8625 -23.5714 -23.5713 -17.8248 -17.8230 -17.7923 -17.7905 -9.5864 -9.5768 -9.3499 -9.3479 -9.2831 -9.2709 -7.4449 -7.4426 -5.4976 -5.4952 -5.1918 -5.1877 -4.9231 -4.9181 -0.4148 -0.4055 -0.2841 -0.2788 0.5729 0.5801 0.6820 0.6866 1.7726 1.7744 4.2417 4.2439 9.4076 9.4120 10.6661 10.6692 11.0498 11.0524 k = 0.3281-0.0747-0.4044 ( 2921 PWs) bands (ev): -25.8623 -25.8623 -23.5709 -23.5709 -17.8256 -17.8238 -17.7931 -17.7913 -9.5866 -9.5766 -9.3508 -9.3461 -9.2829 -9.2709 -7.4479 -7.4459 -5.5017 -5.4993 -5.1937 -5.1896 -4.9235 -4.9185 -0.4045 -0.3949 -0.2789 -0.2734 0.5618 0.5689 0.6907 0.6950 1.7757 1.7775 4.2373 4.2394 9.4263 9.4305 10.6985 10.7015 11.0654 11.0681 k = 0.3368-0.0767-0.4151 ( 2921 PWs) bands (ev): -25.8620 -25.8620 -23.5704 -23.5704 -17.8263 -17.8245 -17.7939 -17.7921 -9.5869 -9.5762 -9.3517 -9.3440 -9.2826 -9.2708 -7.4517 -7.4499 -5.5060 -5.5036 -5.1949 -5.1908 -4.9243 -4.9192 -0.3941 -0.3843 -0.2728 -0.2672 0.5503 0.5573 0.6998 0.7037 1.7796 1.7812 4.2328 4.2347 9.4418 9.4456 10.7278 10.7305 11.0776 11.0803 k = 0.3454-0.0787-0.4257 ( 2930 PWs) bands (ev): -25.8618 -25.8618 -23.5699 -23.5699 -17.8268 -17.8251 -17.7948 -17.7930 -9.5873 -9.5757 -9.3523 -9.3420 -9.2823 -9.2706 -7.4561 -7.4545 -5.5105 -5.5081 -5.1955 -5.1914 -4.9254 -4.9203 -0.3839 -0.3741 -0.2656 -0.2601 0.5385 0.5454 0.7090 0.7127 1.7840 1.7856 4.2280 4.2298 9.4541 9.4577 10.7531 10.7557 11.0857 11.0884 k = 0.3540-0.0806-0.4363 ( 2928 PWs) bands (ev): -25.8616 -25.8616 -23.5694 -23.5694 -17.8273 -17.8255 -17.7957 -17.7939 -9.5876 -9.5751 -9.3526 -9.3400 -9.2818 -9.2704 -7.4612 -7.4597 -5.5149 -5.5126 -5.1956 -5.1915 -4.9267 -4.9217 -0.3742 -0.3645 -0.2570 -0.2517 0.5264 0.5332 0.7183 0.7219 1.7891 1.7906 4.2232 4.2248 9.4636 9.4668 10.7742 10.7766 11.0896 11.0923 k = 0.3627-0.0826-0.4470 ( 2928 PWs) bands (ev): -25.8615 -25.8615 -23.5689 -23.5689 -17.8276 -17.8259 -17.7967 -17.7948 -9.5878 -9.5746 -9.3527 -9.3382 -9.2812 -9.2702 -7.4667 -7.4654 -5.5195 -5.5171 -5.1951 -5.1910 -4.9284 -4.9234 -0.3652 -0.3559 -0.2470 -0.2421 0.5142 0.5209 0.7277 0.7310 1.7946 1.7960 4.2182 4.2198 9.4704 9.4733 10.7909 10.7931 11.0891 11.0917 k = 0.3713-0.0846-0.4576 ( 2926 PWs) bands (ev): -25.8613 -25.8613 -23.5684 -23.5684 -17.8278 -17.8261 -17.7977 -17.7958 -9.5879 -9.5741 -9.3525 -9.3365 -9.2804 -9.2699 -7.4726 -7.4714 -5.5239 -5.5217 -5.1941 -5.1901 -4.9303 -4.9254 -0.3572 -0.3484 -0.2354 -0.2311 0.5018 0.5084 0.7370 0.7401 1.8004 1.8018 4.2132 4.2147 9.4749 9.4775 10.8033 10.8053 11.0846 11.0871 k = 0.3799-0.0865-0.4683 ( 2926 PWs) bands (ev): -25.8612 -25.8612 -23.5679 -23.5679 -17.8280 -17.8262 -17.7987 -17.7969 -9.5879 -9.5737 -9.3520 -9.3350 -9.2796 -9.2695 -7.4788 -7.4776 -5.5283 -5.5261 -5.1928 -5.1889 -4.9324 -4.9276 -0.3502 -0.3422 -0.2224 -0.2188 0.4893 0.4958 0.7462 0.7491 1.8066 1.8078 4.2083 4.2096 9.4772 9.4795 10.8117 10.8135 11.0767 11.0789 k = 0.3886-0.0885-0.4789 ( 2926 PWs) bands (ev): -25.8610 -25.8610 -23.5674 -23.5674 -17.8279 -17.8262 -17.7998 -17.7980 -9.5878 -9.5733 -9.3514 -9.3336 -9.2786 -9.2691 -7.4852 -7.4841 -5.5325 -5.5305 -5.1911 -5.1872 -4.9347 -4.9301 -0.3442 -0.3370 -0.2083 -0.2053 0.4768 0.4832 0.7551 0.7578 1.8130 1.8141 4.2034 4.2046 9.4777 9.4798 10.8166 10.8182 11.0660 11.0681 k = 0.3972-0.0905-0.4896 ( 2916 PWs) bands (ev): -25.8609 -25.8609 -23.5670 -23.5670 -17.8278 -17.8261 -17.8009 -17.7991 -9.5876 -9.5731 -9.3505 -9.3325 -9.2775 -9.2687 -7.4916 -7.4905 -5.5366 -5.5346 -5.1890 -5.1853 -4.9371 -4.9327 -0.3392 -0.3328 -0.1932 -0.1909 0.4644 0.4706 0.7637 0.7663 1.8194 1.8204 4.1986 4.1997 9.4767 9.4785 10.8184 10.8199 11.0535 11.0554 k = 0.4058-0.0924-0.5002 ( 2918 PWs) bands (ev): -25.8608 -25.8608 -23.5665 -23.5665 -17.8276 -17.8259 -17.8021 -17.8003 -9.5872 -9.5730 -9.3495 -9.3316 -9.2764 -9.2682 -7.4980 -7.4969 -5.5404 -5.5386 -5.1868 -5.1833 -4.9397 -4.9354 -0.3350 -0.3294 -0.1777 -0.1759 0.4521 0.4581 0.7719 0.7743 1.8258 1.8268 4.1940 4.1950 9.4744 9.4759 10.8179 10.8193 11.0399 11.0416 k = 0.4145-0.0944-0.5108 ( 2920 PWs) bands (ev): -25.8608 -25.8608 -23.5661 -23.5661 -17.8273 -17.8256 -17.8032 -17.8014 -9.5868 -9.5731 -9.3483 -9.3310 -9.2752 -9.2678 -7.5042 -7.5032 -5.5440 -5.5423 -5.1844 -5.1810 -4.9423 -4.9383 -0.3316 -0.3267 -0.1620 -0.1605 0.4401 0.4458 0.7797 0.7819 1.8321 1.8329 4.1896 4.1905 9.4711 9.4724 10.8155 10.8168 11.0259 11.0274 k = 0.4231-0.0964-0.5215 ( 2924 PWs) bands (ev): -25.8607 -25.8607 -23.5657 -23.5657 -17.8269 -17.8252 -17.8044 -17.8026 -9.5863 -9.5733 -9.3470 -9.3306 -9.2740 -9.2673 -7.5102 -7.5092 -5.5472 -5.5457 -5.1819 -5.1788 -4.9449 -4.9411 -0.3287 -0.3245 -0.1465 -0.1451 0.4283 0.4338 0.7869 0.7889 1.8381 1.8389 4.1854 4.1862 9.4672 9.4683 10.8119 10.8131 11.0120 11.0133 k = 0.5769 0.3026-0.1895 ( 2924 PWs) bands (ev): -25.8607 -25.8607 -23.5657 -23.5657 -17.8269 -17.8252 -17.8044 -17.8026 -9.5863 -9.5733 -9.3470 -9.3306 -9.2740 -9.2673 -7.5102 -7.5092 -5.5472 -5.5457 -5.1820 -5.1788 -4.9449 -4.9411 -0.3287 -0.3245 -0.1465 -0.1451 0.4283 0.4338 0.7869 0.7889 1.8381 1.8389 4.1854 4.1862 9.4672 9.4683 10.8119 10.8131 11.0120 11.0133 k = 0.5683 0.3133-0.1895 ( 2924 PWs) bands (ev): -25.8607 -25.8607 -23.5654 -23.5654 -17.8264 -17.8247 -17.8055 -17.8038 -9.5856 -9.5736 -9.3456 -9.3303 -9.2728 -9.2669 -7.5158 -7.5148 -5.5502 -5.5488 -5.1795 -5.1765 -4.9474 -4.9439 -0.3264 -0.3228 -0.1316 -0.1302 0.4172 0.4223 0.7935 0.7953 1.8438 1.8445 4.1816 4.1823 9.4628 9.4637 10.8075 10.8086 10.9988 10.9999 k = 0.5598 0.3240-0.1895 ( 2930 PWs) bands (ev): -25.8606 -25.8606 -23.5651 -23.5650 -17.8258 -17.8242 -17.8067 -17.8050 -9.5849 -9.5740 -9.3442 -9.3303 -9.2716 -9.2665 -7.5209 -7.5200 -5.5528 -5.5516 -5.1771 -5.1744 -4.9498 -4.9466 -0.3245 -0.3214 -0.1174 -0.1160 0.4068 0.4115 0.7995 0.8011 1.8490 1.8497 4.1782 4.1788 9.4583 9.4590 10.8027 10.8037 10.9866 10.9876 k = 0.5513 0.3347-0.1895 ( 2930 PWs) bands (ev): -25.8606 -25.8606 -23.5648 -23.5648 -17.8252 -17.8236 -17.8077 -17.8061 -9.5842 -9.5744 -9.3427 -9.3305 -9.2705 -9.2662 -7.5255 -7.5247 -5.5551 -5.5540 -5.1747 -5.1723 -4.9520 -4.9492 -0.3229 -0.3204 -0.1042 -0.1028 0.3972 0.4014 0.8048 0.8062 1.8538 1.8543 4.1751 4.1756 9.4538 9.4544 10.7979 10.7988 10.9756 10.9764 k = 0.5427 0.3454-0.1895 ( 2928 PWs) bands (ev): -25.8605 -25.8605 -23.5645 -23.5645 -17.8245 -17.8230 -17.8087 -17.8073 -9.5834 -9.5750 -9.3413 -9.3308 -9.2695 -9.2659 -7.5295 -7.5288 -5.5571 -5.5561 -5.1726 -5.1705 -4.9539 -4.9515 -0.3216 -0.3196 -0.0923 -0.0909 0.3886 0.3923 0.8094 0.8105 1.8580 1.8584 4.1725 4.1729 9.4496 9.4501 10.7934 10.7941 10.9660 10.9666 k = 0.5342 0.3561-0.1895 ( 2924 PWs) bands (ev): -25.8605 -25.8605 -23.5643 -23.5643 -17.8238 -17.8225 -17.8097 -17.8083 -9.5825 -9.5757 -9.3398 -9.3313 -9.2685 -9.2657 -7.5328 -7.5323 -5.5586 -5.5579 -5.1707 -5.1690 -4.9556 -4.9536 -0.3206 -0.3190 -0.0820 -0.0807 0.3813 0.3843 0.8132 0.8141 1.8615 1.8619 4.1703 4.1706 9.4459 9.4463 10.7894 10.7900 10.9579 10.9585 k = 0.5256 0.3668-0.1895 ( 2924 PWs) bands (ev): -25.8605 -25.8605 -23.5642 -23.5642 -17.8231 -17.8220 -17.8104 -17.8093 -9.5816 -9.5764 -9.3384 -9.3319 -9.2677 -9.2656 -7.5355 -7.5350 -5.5599 -5.5593 -5.1691 -5.1678 -4.9568 -4.9553 -0.3198 -0.3186 -0.0735 -0.0725 0.3753 0.3777 0.8162 0.8169 1.8643 1.8646 4.1686 4.1688 9.4429 9.4432 10.7861 10.7866 10.9516 10.9520 k = 0.5171 0.3775-0.1895 ( 2928 PWs) bands (ev): -25.8605 -25.8605 -23.5640 -23.5640 -17.8225 -17.8217 -17.8109 -17.8101 -9.5807 -9.5772 -9.3371 -9.3327 -9.2670 -9.2657 -7.5374 -7.5371 -5.5607 -5.5603 -5.1679 -5.1670 -4.9577 -4.9567 -0.3191 -0.3183 -0.0672 -0.0665 0.3711 0.3727 0.8184 0.8189 1.8664 1.8665 4.1673 4.1675 9.4406 9.4408 10.7837 10.7840 10.9470 10.9473 k = 0.5085 0.3882-0.1895 ( 2924 PWs) bands (ev): -25.8605 -25.8605 -23.5640 -23.5640 -17.8220 -17.8216 -17.8112 -17.8107 -9.5798 -9.5780 -9.3359 -9.3337 -9.2665 -9.2658 -7.5385 -7.5383 -5.5612 -5.5610 -5.1670 -5.1666 -4.9581 -4.9576 -0.3187 -0.3183 -0.0633 -0.0629 0.3686 0.3695 0.8198 0.8200 1.8676 1.8677 4.1666 4.1667 9.4393 9.4393 10.7822 10.7824 10.9443 10.9444 k = 0.5000 0.3989-0.1895 ( 2924 PWs) bands (ev): -25.8605 -25.8605 -23.5640 -23.5640 -17.8217 -17.8217 -17.8111 -17.8111 -9.5789 -9.5789 -9.3347 -9.3347 -9.2661 -9.2661 -7.5388 -7.5388 -5.5613 -5.5613 -5.1666 -5.1666 -4.9581 -4.9581 -0.3184 -0.3184 -0.0618 -0.0618 0.3681 0.3681 0.8203 0.8203 1.8681 1.8681 4.1664 4.1664 9.4388 9.4388 10.7818 10.7818 10.9434 10.9434 k = 0.5000 0.3989-0.1895 ( 2924 PWs) bands (ev): -25.8605 -25.8605 -23.5640 -23.5640 -17.8217 -17.8217 -17.8111 -17.8111 -9.5789 -9.5789 -9.3347 -9.3347 -9.2661 -9.2661 -7.5388 -7.5388 -5.5613 -5.5613 -5.1666 -5.1666 -4.9581 -4.9581 -0.3184 -0.3184 -0.0618 -0.0618 0.3681 0.3681 0.8203 0.8203 1.8681 1.8681 4.1664 4.1664 9.4388 9.4388 10.7818 10.7818 10.9434 10.9434 k = 0.5031 0.4014-0.1762 ( 2926 PWs) bands (ev): -25.8605 -25.8605 -23.5639 -23.5639 -17.8217 -17.8217 -17.8111 -17.8111 -9.5792 -9.5790 -9.3350 -9.3348 -9.2663 -9.2663 -7.5386 -7.5385 -5.5616 -5.5615 -5.1665 -5.1663 -4.9581 -4.9581 -0.3183 -0.3180 -0.0619 -0.0619 0.3687 0.3688 0.8202 0.8203 1.8684 1.8685 4.1660 4.1661 9.4399 9.4399 10.7809 10.7813 10.9435 10.9439 k = 0.5062 0.4038-0.1630 ( 2928 PWs) bands (ev): -25.8605 -25.8605 -23.5639 -23.5639 -17.8216 -17.8216 -17.8112 -17.8112 -9.5797 -9.5794 -9.3355 -9.3352 -9.2670 -9.2669 -7.5379 -7.5377 -5.5625 -5.5623 -5.1659 -5.1655 -4.9581 -4.9581 -0.3177 -0.3171 -0.0622 -0.0621 0.3707 0.3708 0.8200 0.8202 1.8693 1.8694 4.1649 4.1651 9.4430 9.4432 10.7787 10.7794 10.9441 10.9450 k = 0.5092 0.4063-0.1497 ( 2926 PWs) bands (ev): -25.8604 -25.8604 -23.5638 -23.5638 -17.8215 -17.8215 -17.8112 -17.8112 -9.5806 -9.5800 -9.3364 -9.3359 -9.2680 -9.2679 -7.5366 -7.5364 -5.5640 -5.5637 -5.1650 -5.1644 -4.9582 -4.9582 -0.3165 -0.3157 -0.0627 -0.0625 0.3740 0.3741 0.8197 0.8200 1.8708 1.8711 4.1631 4.1635 9.4483 9.4485 10.7747 10.7758 10.9459 10.9471 k = 0.5123 0.4087-0.1364 ( 2927 PWs) bands (ev): -25.8604 -25.8604 -23.5637 -23.5637 -17.8213 -17.8213 -17.8113 -17.8113 -9.5818 -9.5810 -9.3376 -9.3369 -9.2694 -9.2692 -7.5349 -7.5346 -5.5660 -5.5656 -5.1636 -5.1628 -4.9582 -4.9582 -0.3148 -0.3137 -0.0633 -0.0631 0.3785 0.3786 0.8193 0.8197 1.8729 1.8733 4.1607 4.1612 9.4557 9.4560 10.7687 10.7700 10.9493 10.9509 k = 0.5154 0.4112-0.1231 ( 2931 PWs) bands (ev): -25.8604 -25.8604 -23.5636 -23.5636 -17.8211 -17.8211 -17.8114 -17.8114 -9.5832 -9.5823 -9.3391 -9.3383 -9.2712 -9.2710 -7.5327 -7.5323 -5.5685 -5.5681 -5.1619 -5.1609 -4.9583 -4.9583 -0.3127 -0.3113 -0.0641 -0.0639 0.3843 0.3844 0.8188 0.8193 1.8756 1.8761 4.1576 4.1582 9.4650 9.4654 10.7602 10.7618 10.9549 10.9569 k = 0.5185 0.4137-0.1098 ( 2937 PWs) bands (ev): -25.8603 -25.8603 -23.5635 -23.5635 -17.8208 -17.8208 -17.8116 -17.8116 -9.5850 -9.5840 -9.3410 -9.3399 -9.2733 -9.2731 -7.5301 -7.5296 -5.5716 -5.5711 -5.1597 -5.1585 -4.9583 -4.9583 -0.3099 -0.3083 -0.0651 -0.0649 0.3913 0.3914 0.8182 0.8188 1.8789 1.8795 4.1539 4.1546 9.4763 9.4767 10.7491 10.7509 10.9633 10.9655 k = 0.5215 0.4161-0.0966 ( 2937 PWs) bands (ev): -25.8602 -25.8602 -23.5633 -23.5633 -17.8205 -17.8205 -17.8118 -17.8118 -9.5871 -9.5859 -9.3432 -9.3419 -9.2757 -9.2754 -7.5271 -7.5265 -5.5752 -5.5747 -5.1571 -5.1558 -4.9584 -4.9584 -0.3066 -0.3048 -0.0662 -0.0659 0.3993 0.3995 0.8175 0.8182 1.8828 1.8834 4.1496 4.1504 9.4893 9.4898 10.7354 10.7373 10.9747 10.9771 k = 0.5246 0.4186-0.0833 ( 2936 PWs) bands (ev): -25.8602 -25.8602 -23.5631 -23.5631 -17.8202 -17.8202 -17.8119 -17.8119 -9.5894 -9.5881 -9.3456 -9.3442 -9.2782 -9.2779 -7.5237 -7.5231 -5.5792 -5.5787 -5.1542 -5.1526 -4.9585 -4.9585 -0.3028 -0.3007 -0.0675 -0.0672 0.4084 0.4086 0.8167 0.8175 1.8872 1.8879 4.1446 4.1456 9.5040 9.5046 10.7195 10.7215 10.9892 10.9916 k = 0.5277 0.4210-0.0700 ( 2941 PWs) bands (ev): -25.8601 -25.8601 -23.5629 -23.5629 -17.8198 -17.8198 -17.8121 -17.8121 -9.5921 -9.5906 -9.3484 -9.3468 -9.2810 -9.2807 -7.5200 -7.5193 -5.5837 -5.5832 -5.1509 -5.1491 -4.9586 -4.9586 -0.2984 -0.2961 -0.0689 -0.0686 0.4185 0.4187 0.8158 0.8167 1.8922 1.8929 4.1391 4.1401 9.5202 9.5208 10.7017 10.7037 11.0066 11.0092 k = 0.5308 0.4235-0.0567 ( 2943 PWs) bands (ev): -25.8600 -25.8600 -23.5627 -23.5627 -17.8194 -17.8194 -17.8124 -17.8123 -9.5950 -9.5933 -9.3515 -9.3497 -9.2838 -9.2836 -7.5160 -7.5153 -5.5887 -5.5881 -5.1472 -5.1452 -4.9588 -4.9587 -0.2935 -0.2909 -0.0705 -0.0701 0.4295 0.4296 0.8149 0.8159 1.8976 1.8984 4.1330 4.1341 9.5377 9.5384 10.6825 10.6845 11.0269 11.0295 k = 0.5338 0.4259-0.0434 ( 2943 PWs) bands (ev): -25.8599 -25.8599 -23.5625 -23.5625 -17.8189 -17.8189 -17.8126 -17.8126 -9.5981 -9.5964 -9.3549 -9.3529 -9.2868 -9.2865 -7.5118 -7.5110 -5.5940 -5.5934 -5.1432 -5.1410 -4.9589 -4.9589 -0.2880 -0.2852 -0.0722 -0.0718 0.4412 0.4414 0.8139 0.8150 1.9035 1.9044 4.1264 4.1276 9.5562 9.5569 10.6625 10.6645 11.0499 11.0525 k = 0.5369 0.4284-0.0302 ( 2943 PWs) bands (ev): -25.8598 -25.8598 -23.5622 -23.5622 -17.8184 -17.8184 -17.8128 -17.8128 -9.6015 -9.5996 -9.3585 -9.3563 -9.2898 -9.2895 -7.5074 -7.5066 -5.5997 -5.5991 -5.1388 -5.1365 -4.9591 -4.9590 -0.2820 -0.2790 -0.0740 -0.0736 0.4537 0.4539 0.8129 0.8140 1.9098 1.9107 4.1193 4.1206 9.5755 9.5763 10.6421 10.6440 11.0754 11.0781 k = 0.5400 0.4308-0.0169 ( 2937 PWs) bands (ev): -25.8597 -25.8597 -23.5619 -23.5619 -17.8179 -17.8179 -17.8130 -17.8130 -9.6051 -9.6031 -9.3623 -9.3600 -9.2928 -9.2926 -7.5029 -7.5020 -5.6057 -5.6051 -5.1341 -5.1316 -4.9592 -4.9592 -0.2754 -0.2723 -0.0759 -0.0755 0.4668 0.4669 0.8118 0.8130 1.9166 1.9175 4.1118 4.1132 9.5953 9.5962 10.6218 10.6238 11.1031 11.1059 k = 0.5431 0.4333-0.0036 ( 2941 PWs) bands (ev): -25.8596 -25.8596 -23.5617 -23.5617 -17.8174 -17.8174 -17.8132 -17.8132 -9.6090 -9.6069 -9.3663 -9.3638 -9.2958 -9.2956 -7.4983 -7.4974 -5.6120 -5.6114 -5.1291 -5.1265 -4.9595 -4.9594 -0.2684 -0.2652 -0.0780 -0.0775 0.4804 0.4805 0.8107 0.8119 1.9237 1.9247 4.1039 4.1053 9.6152 9.6161 10.6022 10.6041 11.1330 11.1358 k = 0.5461 0.4357 0.0097 ( 2935 PWs) bands (ev): -25.8595 -25.8595 -23.5614 -23.5614 -17.8169 -17.8169 -17.8134 -17.8134 -9.6129 -9.6108 -9.3704 -9.3679 -9.2987 -9.2985 -7.4937 -7.4928 -5.6186 -5.6180 -5.1238 -5.1211 -4.9597 -4.9596 -0.2609 -0.2575 -0.0801 -0.0796 0.4945 0.4946 0.8095 0.8107 1.9311 1.9321 4.0956 4.0971 9.6348 9.6358 10.5836 10.5856 11.1648 11.1677 k = 0.5492 0.4382 0.0229 ( 2933 PWs) bands (ev): -25.8593 -25.8593 -23.5611 -23.5611 -17.8164 -17.8164 -17.8135 -17.8135 -9.6171 -9.6149 -9.3747 -9.3720 -9.3016 -9.3014 -7.4891 -7.4882 -5.6253 -5.6247 -5.1183 -5.1154 -4.9599 -4.9599 -0.2529 -0.2495 -0.0823 -0.0817 0.5089 0.5090 0.8083 0.8096 1.9388 1.9398 4.0870 4.0885 9.6538 9.6549 10.5666 10.5686 11.1983 11.2012 k = 0.5523 0.4406 0.0362 ( 2927 PWs) bands (ev): -25.8592 -25.8592 -23.5608 -23.5608 -17.8159 -17.8159 -17.8135 -17.8135 -9.6214 -9.6192 -9.3790 -9.3763 -9.3044 -9.3042 -7.4846 -7.4836 -5.6322 -5.6317 -5.1126 -5.1096 -4.9602 -4.9601 -0.2446 -0.2411 -0.0846 -0.0840 0.5236 0.5236 0.8070 0.8084 1.9468 1.9478 4.0781 4.0797 9.6717 9.6728 10.5515 10.5535 11.2330 11.2360 k = 0.5554 0.4431 0.0495 ( 2923 PWs) bands (ev): -25.8591 -25.8591 -23.5605 -23.5604 -17.8156 -17.8156 -17.8135 -17.8135 -9.6258 -9.6236 -9.3833 -9.3805 -9.3071 -9.3070 -7.4802 -7.4792 -5.6391 -5.6387 -5.1066 -5.1035 -4.9605 -4.9604 -0.2359 -0.2323 -0.0869 -0.0863 0.5384 0.5384 0.8058 0.8071 1.9550 1.9560 4.0690 4.0706 9.6881 9.6893 10.5387 10.5407 11.2688 11.2718 k = 0.5584 0.4456 0.0628 ( 2925 PWs) bands (ev): -25.8590 -25.8590 -23.5601 -23.5601 -17.8154 -17.8154 -17.8132 -17.8132 -9.6302 -9.6280 -9.3876 -9.3848 -9.3097 -9.3096 -7.4760 -7.4750 -5.6462 -5.6457 -5.1005 -5.0973 -4.9608 -4.9607 -0.2270 -0.2233 -0.0893 -0.0886 0.5533 0.5533 0.8045 0.8059 1.9633 1.9643 4.0597 4.0614 9.7025 9.7038 10.5284 10.5304 11.3052 11.3083 k = 0.5615 0.4480 0.0761 ( 2929 PWs) bands (ev): -25.8590 -25.8590 -23.5598 -23.5598 -17.8153 -17.8153 -17.8128 -17.8128 -9.6347 -9.6326 -9.3919 -9.3891 -9.3123 -9.3122 -7.4720 -7.4710 -5.6532 -5.6528 -5.0943 -5.0910 -4.9611 -4.9611 -0.2178 -0.2141 -0.0917 -0.0909 0.5682 0.5683 0.8032 0.8046 1.9717 1.9727 4.0504 4.0520 9.7147 9.7160 10.5208 10.5228 11.3417 11.3448 k = 0.5646 0.4505 0.0893 ( 2930 PWs) bands (ev): -25.8589 -25.8589 -23.5596 -23.5595 -17.8153 -17.8153 -17.8123 -17.8123 -9.6393 -9.6371 -9.3960 -9.3933 -9.3147 -9.3146 -7.4683 -7.4673 -5.6602 -5.6598 -5.0879 -5.0845 -4.9615 -4.9614 -0.2085 -0.2048 -0.0941 -0.0933 0.5830 0.5831 0.8019 0.8033 1.9803 1.9813 4.0410 4.0426 9.7244 9.7256 10.5158 10.5179 11.3776 11.3808 k = 0.5677 0.4529 0.1026 ( 2932 PWs) bands (ev): -25.8588 -25.8588 -23.5593 -23.5593 -17.8153 -17.8153 -17.8118 -17.8118 -9.6437 -9.6416 -9.4000 -9.3973 -9.3170 -9.3170 -7.4648 -7.4638 -5.6670 -5.6667 -5.0814 -5.0781 -4.9619 -4.9618 -0.1991 -0.1954 -0.0965 -0.0956 0.5977 0.5978 0.8006 0.8020 1.9888 1.9898 4.0316 4.0332 9.7313 9.7326 10.5133 10.5153 11.4123 11.4156 k = 0.5707 0.4554 0.1159 ( 2929 PWs) bands (ev): -25.8587 -25.8587 -23.5590 -23.5590 -17.8153 -17.8153 -17.8112 -17.8112 -9.6481 -9.6461 -9.4039 -9.4013 -9.3192 -9.3192 -7.4617 -7.4607 -5.6737 -5.6734 -5.0749 -5.0715 -4.9623 -4.9622 -0.1898 -0.1861 -0.0988 -0.0980 0.6122 0.6124 0.7993 0.8007 1.9974 1.9983 4.0223 4.0239 9.7356 9.7369 10.5129 10.5149 11.4451 11.4484 k = 0.5738 0.4578 0.1292 ( 2933 PWs) bands (ev): -25.8587 -25.8587 -23.5587 -23.5587 -17.8152 -17.8152 -17.8106 -17.8106 -9.6524 -9.6505 -9.4076 -9.4051 -9.3214 -9.3213 -7.4589 -7.4579 -5.6802 -5.6799 -5.0683 -5.0650 -4.9627 -4.9626 -0.1805 -0.1768 -0.1012 -0.1003 0.6264 0.6266 0.7980 0.7994 2.0059 2.0068 4.0131 4.0147 9.7373 9.7385 10.5140 10.5160 11.4750 11.4784 k = 0.5769 0.4603 0.1425 ( 2937 PWs) bands (ev): -25.8587 -25.8587 -23.5585 -23.5585 -17.8152 -17.8152 -17.8100 -17.8100 -9.6565 -9.6547 -9.4110 -9.4086 -9.3233 -9.3233 -7.4565 -7.4556 -5.6864 -5.6862 -5.0618 -5.0585 -4.9632 -4.9631 -0.1714 -0.1678 -0.1035 -0.1025 0.6402 0.6405 0.7967 0.7981 2.0143 2.0152 4.0041 4.0057 9.7366 9.7378 10.5159 10.5179 11.5015 11.5048 k = 0.5769 0.4603 0.1425 ( 2937 PWs) bands (ev): -25.8587 -25.8587 -23.5585 -23.5585 -17.8152 -17.8152 -17.8100 -17.8100 -9.6565 -9.6547 -9.4110 -9.4086 -9.3233 -9.3233 -7.4565 -7.4556 -5.6864 -5.6862 -5.0618 -5.0585 -4.9632 -4.9631 -0.1714 -0.1678 -0.1035 -0.1025 0.6402 0.6405 0.7967 0.7981 2.0143 2.0152 4.0041 4.0057 9.7366 9.7378 10.5159 10.5179 11.5015 11.5048 k = 0.5721 0.4564 0.1543 ( 2938 PWs) bands (ev): -25.8586 -25.8586 -23.5581 -23.5581 -17.8146 -17.8146 -17.8098 -17.8098 -9.6615 -9.6596 -9.4153 -9.4128 -9.3259 -9.3259 -7.4546 -7.4537 -5.6946 -5.6944 -5.0531 -5.0499 -4.9642 -4.9641 -0.1618 -0.1584 -0.1018 -0.1009 0.6554 0.6557 0.7971 0.7984 2.0258 2.0266 3.9921 3.9935 9.7329 9.7340 10.5203 10.5223 11.5174 11.5208 k = 0.5673 0.4526 0.1661 ( 2945 PWs) bands (ev): -25.8586 -25.8586 -23.5577 -23.5577 -17.8141 -17.8141 -17.8096 -17.8095 -9.6665 -9.6645 -9.4194 -9.4169 -9.3285 -9.3284 -7.4528 -7.4519 -5.7025 -5.7023 -5.0446 -5.0414 -4.9652 -4.9651 -0.1529 -0.1495 -0.1002 -0.0993 0.6705 0.6708 0.7974 0.7986 2.0370 2.0378 3.9802 3.9815 9.7280 9.7290 10.5252 10.5270 11.5313 11.5346 k = 0.5625 0.4488 0.1780 ( 2941 PWs) bands (ev): -25.8586 -25.8586 -23.5574 -23.5574 -17.8135 -17.8135 -17.8093 -17.8093 -9.6712 -9.6691 -9.4233 -9.4208 -9.3309 -9.3309 -7.4510 -7.4502 -5.7101 -5.7099 -5.0362 -5.0332 -4.9662 -4.9661 -0.1445 -0.1412 -0.0986 -0.0977 0.6854 0.6857 0.7977 0.7988 2.0479 2.0486 3.9687 3.9699 9.7220 9.7230 10.5305 10.5322 11.5432 11.5464 k = 0.5577 0.4449 0.1898 ( 2939 PWs) bands (ev): -25.8586 -25.8586 -23.5571 -23.5571 -17.8129 -17.8129 -17.8091 -17.8091 -9.6758 -9.6737 -9.4271 -9.4245 -9.3333 -9.3332 -7.4492 -7.4485 -5.7173 -5.7172 -5.0281 -5.0252 -4.9671 -4.9671 -0.1367 -0.1336 -0.0970 -0.0961 0.6998 0.7002 0.7979 0.7989 2.0583 2.0590 3.9575 3.9587 9.7152 9.7161 10.5361 10.5378 11.5533 11.5564 k = 0.5529 0.4411 0.2017 ( 2935 PWs) bands (ev): -25.8585 -25.8585 -23.5568 -23.5568 -17.8124 -17.8124 -17.8089 -17.8089 -9.6801 -9.6780 -9.4305 -9.4280 -9.3355 -9.3355 -7.4475 -7.4468 -5.7241 -5.7240 -5.0203 -5.0175 -4.9680 -4.9680 -0.1296 -0.1266 -0.0954 -0.0946 0.7138 0.7141 0.7981 0.7991 2.0683 2.0688 3.9469 3.9480 9.7078 9.7086 10.5420 10.5436 11.5617 11.5646 k = 0.5481 0.4373 0.2135 ( 2939 PWs) bands (ev): -25.8585 -25.8585 -23.5565 -23.5565 -17.8119 -17.8119 -17.8087 -17.8087 -9.6841 -9.6821 -9.4338 -9.4313 -9.3377 -9.3376 -7.4459 -7.4453 -5.7305 -5.7304 -5.0129 -5.0103 -4.9689 -4.9688 -0.1231 -0.1204 -0.0939 -0.0931 0.7270 0.7274 0.7983 0.7991 2.0776 2.0781 3.9368 3.9378 9.7000 9.7007 10.5481 10.5496 11.5685 11.5713 k = 0.5432 0.4334 0.2254 ( 2937 PWs) bands (ev): -25.8585 -25.8585 -23.5563 -23.5563 -17.8114 -17.8114 -17.8085 -17.8085 -9.6879 -9.6860 -9.4368 -9.4344 -9.3396 -9.3396 -7.4444 -7.4439 -5.7364 -5.7363 -5.0060 -5.0036 -4.9697 -4.9696 -0.1174 -0.1148 -0.0924 -0.0916 0.7395 0.7399 0.7985 0.7992 2.0863 2.0867 3.9274 3.9284 9.6921 9.6927 10.5542 10.5555 11.5741 11.5767 k = 0.5384 0.4296 0.2372 ( 2937 PWs) bands (ev): -25.8585 -25.8585 -23.5560 -23.5560 -17.8109 -17.8109 -17.8083 -17.8083 -9.6913 -9.6895 -9.4394 -9.4372 -9.3414 -9.3414 -7.4430 -7.4425 -5.7418 -5.7417 -4.9996 -4.9974 -4.9704 -4.9703 -0.1123 -0.1100 -0.0908 -0.0902 0.7511 0.7514 0.7986 0.7993 2.0942 2.0946 3.9188 3.9196 9.6843 9.6849 10.5601 10.5614 11.5786 11.5810 k = 0.5336 0.4258 0.2491 ( 2939 PWs) bands (ev): -25.8585 -25.8585 -23.5558 -23.5558 -17.8105 -17.8105 -17.8081 -17.8081 -9.6944 -9.6927 -9.4418 -9.4397 -9.3431 -9.3431 -7.4418 -7.4413 -5.7466 -5.7465 -4.9938 -4.9918 -4.9710 -4.9710 -0.1080 -0.1060 -0.0892 -0.0887 0.7615 0.7619 0.7988 0.7993 2.1014 2.1017 3.9109 3.9117 9.6769 9.6774 10.5659 10.5670 11.5822 11.5843 k = 0.5288 0.4219 0.2609 ( 2939 PWs) bands (ev): -25.8585 -25.8585 -23.5557 -23.5557 -17.8102 -17.8102 -17.8079 -17.8079 -9.6971 -9.6956 -9.4438 -9.4420 -9.3445 -9.3445 -7.4406 -7.4403 -5.7508 -5.7508 -4.9886 -4.9869 -4.9716 -4.9715 -0.1044 -0.1027 -0.0877 -0.0873 0.7708 0.7712 0.7990 0.7994 2.1077 2.1080 3.9040 3.9046 9.6700 9.6704 10.5712 10.5722 11.5850 11.5869 k = 0.5240 0.4181 0.2727 ( 2937 PWs) bands (ev): -25.8585 -25.8585 -23.5555 -23.5555 -17.8099 -17.8099 -17.8077 -17.8077 -9.6994 -9.6981 -9.4456 -9.4440 -9.3457 -9.3457 -7.4397 -7.4394 -5.7545 -5.7544 -4.9841 -4.9827 -4.9721 -4.9720 -0.1015 -0.1002 -0.0862 -0.0859 0.7788 0.7791 0.7992 0.7996 2.1131 2.1134 3.8980 3.8985 9.6638 9.6641 10.5760 10.5768 11.5872 11.5888 k = 0.5192 0.4143 0.2846 ( 2939 PWs) bands (ev): -25.8585 -25.8585 -23.5554 -23.5554 -17.8097 -17.8097 -17.8075 -17.8075 -9.7013 -9.7002 -9.4470 -9.4457 -9.3468 -9.3468 -7.4388 -7.4386 -5.7575 -5.7574 -4.9804 -4.9792 -4.9725 -4.9724 -0.0993 -0.0983 -0.0847 -0.0846 0.7853 0.7856 0.7996 0.7998 2.1176 2.1178 3.8930 3.8934 9.6585 9.6588 10.5801 10.5808 11.5889 11.5901 k = 0.5144 0.4104 0.2964 ( 2932 PWs) bands (ev): -25.8585 -25.8585 -23.5553 -23.5553 -17.8095 -17.8095 -17.8074 -17.8074 -9.7027 -9.7019 -9.4480 -9.4470 -9.3476 -9.3476 -7.4382 -7.4380 -5.7598 -5.7598 -4.9775 -4.9765 -4.9728 -4.9727 -0.0976 -0.0969 -0.0835 -0.0835 0.7901 0.7904 0.8002 0.8003 2.1212 2.1213 3.8891 3.8894 9.6543 9.6545 10.5834 10.5840 11.5901 11.5909 k = 0.5096 0.4066 0.3083 ( 2938 PWs) bands (ev): -25.8585 -25.8585 -23.5552 -23.5552 -17.8094 -17.8094 -17.8072 -17.8072 -9.7038 -9.7032 -9.4487 -9.4480 -9.3481 -9.3481 -7.4377 -7.4376 -5.7615 -5.7615 -4.9754 -4.9747 -4.9730 -4.9728 -0.0965 -0.0960 -0.0826 -0.0826 0.7932 0.7934 0.8011 0.8011 2.1237 2.1238 3.8863 3.8865 9.6512 9.6513 10.5859 10.5863 11.5908 11.5912 k = 0.5048 0.4028 0.3201 ( 2936 PWs) bands (ev): -25.8585 -25.8585 -23.5552 -23.5552 -17.8093 -17.8093 -17.8072 -17.8072 -9.7043 -9.7040 -9.4490 -9.4487 -9.3485 -9.3485 -7.4374 -7.4374 -5.7625 -5.7625 -4.9742 -4.9739 -4.9728 -4.9728 -0.0958 -0.0956 -0.0820 -0.0820 0.7947 0.7949 0.8019 0.8019 2.1253 2.1254 3.8846 3.8847 9.6493 9.6494 10.5875 10.5876 11.5908 11.5909 k = 0.5000 0.3989 0.3320 ( 2934 PWs) bands (ev): -25.8585 -25.8585 -23.5552 -23.5552 -17.8093 -17.8093 -17.8072 -17.8072 -9.7044 -9.7044 -9.4490 -9.4490 -9.3486 -9.3486 -7.4373 -7.4373 -5.7628 -5.7628 -4.9738 -4.9738 -4.9727 -4.9727 -0.0955 -0.0955 -0.0819 -0.0819 0.7952 0.7952 0.8023 0.8023 2.1258 2.1258 3.8841 3.8841 9.6487 9.6487 10.5880 10.5880 11.5906 11.5906 k = 0.5000-0.1139-0.0948 ( 2904 PWs) bands (ev): -25.8650 -25.8650 -23.5760 -23.5760 -17.8194 -17.8194 -17.7771 -17.7771 -9.6100 -9.6100 -9.3609 -9.3609 -9.2690 -9.2690 -7.4080 -7.4080 -5.4769 -5.4769 -5.1249 -5.1249 -4.9324 -4.9324 -0.4633 -0.4633 -0.3858 -0.3858 0.6243 0.6243 0.7009 0.7009 1.7627 1.7627 4.2712 4.2712 9.2985 9.2985 10.2484 10.2484 10.9433 10.9433 k = 0.5039-0.1036-0.0862 ( 2900 PWs) bands (ev): -25.8650 -25.8650 -23.5760 -23.5760 -17.8194 -17.8194 -17.7771 -17.7771 -9.6102 -9.6097 -9.3612 -9.3607 -9.2690 -9.2690 -7.4082 -7.4082 -5.4771 -5.4770 -5.1250 -5.1248 -4.9324 -4.9324 -0.4628 -0.4627 -0.3855 -0.3854 0.6241 0.6242 0.7009 0.7011 1.7630 1.7630 4.2709 4.2709 9.2987 9.2989 10.2491 10.2494 10.9445 10.9445 k = 0.5079-0.0934-0.0777 ( 2900 PWs) bands (ev): -25.8649 -25.8649 -23.5759 -23.5759 -17.8195 -17.8195 -17.7772 -17.7772 -9.6105 -9.6095 -9.3615 -9.3605 -9.2692 -9.2691 -7.4087 -7.4087 -5.4778 -5.4777 -5.1251 -5.1248 -4.9325 -4.9325 -0.4614 -0.4612 -0.3845 -0.3843 0.6237 0.6238 0.7011 0.7013 1.7639 1.7640 4.2700 4.2701 9.2995 9.2999 10.2512 10.2518 10.9483 10.9483 k = 0.5118-0.0832-0.0692 ( 2903 PWs) bands (ev): -25.8649 -25.8649 -23.5758 -23.5758 -17.8195 -17.8195 -17.7774 -17.7774 -9.6108 -9.6094 -9.3618 -9.3603 -9.2694 -9.2693 -7.4095 -7.4095 -5.4789 -5.4788 -5.1253 -5.1248 -4.9327 -4.9327 -0.4591 -0.4587 -0.3827 -0.3825 0.6231 0.6233 0.7013 0.7017 1.7654 1.7656 4.2685 4.2687 9.3009 9.3016 10.2548 10.2558 10.9545 10.9545 k = 0.5158-0.0730-0.0607 ( 2910 PWs) bands (ev): -25.8648 -25.8648 -23.5756 -23.5756 -17.8196 -17.8196 -17.7777 -17.7777 -9.6112 -9.6092 -9.3622 -9.3601 -9.2697 -9.2695 -7.4106 -7.4106 -5.4805 -5.4803 -5.1254 -5.1248 -4.9329 -4.9329 -0.4558 -0.4553 -0.3803 -0.3800 0.6223 0.6226 0.7017 0.7022 1.7675 1.7677 4.2665 4.2667 9.3030 9.3039 10.2599 10.2612 10.9633 10.9633 k = 0.5197-0.0627-0.0522 ( 2911 PWs) bands (ev): -25.8648 -25.8648 -23.5754 -23.5754 -17.8197 -17.8197 -17.7781 -17.7781 -9.6116 -9.6091 -9.3625 -9.3600 -9.2701 -9.2699 -7.4121 -7.4120 -5.4825 -5.4822 -5.1256 -5.1248 -4.9332 -4.9332 -0.4515 -0.4509 -0.3772 -0.3768 0.6213 0.6216 0.7022 0.7028 1.7702 1.7705 4.2640 4.2642 9.3057 9.3068 10.2664 10.2679 10.9745 10.9746 k = 0.5237-0.0525-0.0437 ( 2905 PWs) bands (ev): -25.8647 -25.8647 -23.5752 -23.5752 -17.8198 -17.8198 -17.7785 -17.7785 -9.6120 -9.6091 -9.3629 -9.3599 -9.2705 -9.2703 -7.4138 -7.4137 -5.4849 -5.4846 -5.1258 -5.1248 -4.9336 -4.9336 -0.4464 -0.4457 -0.3735 -0.3729 0.6201 0.6205 0.7028 0.7036 1.7734 1.7739 4.2609 4.2612 9.3092 9.3105 10.2741 10.2760 10.9883 10.9883 k = 0.5276-0.0423-0.0352 ( 2917 PWs) bands (ev): -25.8646 -25.8646 -23.5749 -23.5749 -17.8200 -17.8199 -17.7791 -17.7790 -9.6124 -9.6091 -9.3634 -9.3599 -9.2711 -9.2709 -7.4157 -7.4156 -5.4878 -5.4875 -5.1259 -5.1248 -4.9341 -4.9340 -0.4405 -0.4396 -0.3691 -0.3685 0.6188 0.6191 0.7036 0.7045 1.7773 1.7778 4.2573 4.2576 9.3134 9.3149 10.2830 10.2852 11.0045 11.0045 k = 0.5315-0.0320-0.0267 ( 2919 PWs) bands (ev): -25.8645 -25.8644 -23.5745 -23.5745 -17.8201 -17.8201 -17.7796 -17.7796 -9.6128 -9.6092 -9.3638 -9.3600 -9.2718 -9.2715 -7.4179 -7.4178 -5.4911 -5.4908 -5.1260 -5.1247 -4.9346 -4.9345 -0.4337 -0.4328 -0.3640 -0.3633 0.6173 0.6177 0.7046 0.7055 1.7816 1.7822 4.2531 4.2536 9.3184 9.3201 10.2930 10.2954 11.0231 11.0232 k = 0.5355-0.0218-0.0181 ( 2917 PWs) bands (ev): -25.8643 -25.8643 -23.5742 -23.5742 -17.8203 -17.8202 -17.7803 -17.7803 -9.6133 -9.6093 -9.3643 -9.3601 -9.2725 -9.2722 -7.4203 -7.4201 -5.4948 -5.4945 -5.1260 -5.1246 -4.9351 -4.9350 -0.4263 -0.4252 -0.3584 -0.3576 0.6157 0.6162 0.7057 0.7067 1.7865 1.7871 4.2485 4.2490 9.3243 9.3262 10.3040 10.3066 11.0442 11.0443 k = 0.5394-0.0116-0.0096 ( 2921 PWs) bands (ev): -25.8642 -25.8642 -23.5737 -23.5737 -17.8204 -17.8204 -17.7810 -17.7810 -9.6139 -9.6095 -9.3649 -9.3604 -9.2733 -9.2730 -7.4228 -7.4226 -5.4990 -5.4986 -5.1259 -5.1244 -4.9357 -4.9356 -0.4181 -0.4169 -0.3522 -0.3514 0.6141 0.6145 0.7069 0.7081 1.7918 1.7925 4.2434 4.2439 9.3311 9.3331 10.3156 10.3185 11.0678 11.0678 k = 0.5434-0.0014-0.0011 ( 2918 PWs) bands (ev): -25.8640 -25.8640 -23.5733 -23.5733 -17.8206 -17.8206 -17.7818 -17.7818 -9.6144 -9.6098 -9.3655 -9.3607 -9.2741 -9.2739 -7.4254 -7.4252 -5.5035 -5.5031 -5.1258 -5.1242 -4.9364 -4.9363 -0.4093 -0.4080 -0.3455 -0.3446 0.6123 0.6128 0.7084 0.7097 1.7977 1.7984 4.2378 4.2384 9.3388 9.3410 10.3279 10.3309 11.0937 11.0938 k = 0.5473 0.0089 0.0074 ( 2921 PWs) bands (ev): -25.8638 -25.8638 -23.5728 -23.5728 -17.8208 -17.8207 -17.7827 -17.7827 -9.6151 -9.6102 -9.3661 -9.3611 -9.2751 -9.2748 -7.4282 -7.4280 -5.5084 -5.5081 -5.1256 -5.1238 -4.9371 -4.9370 -0.4000 -0.3986 -0.3382 -0.3372 0.6106 0.6111 0.7100 0.7114 1.8039 1.8047 4.2317 4.2324 9.3475 9.3498 10.3406 10.3438 11.1220 11.1222 k = 0.5513 0.0191 0.0159 ( 2923 PWs) bands (ev): -25.8636 -25.8636 -23.5723 -23.5723 -17.8209 -17.8209 -17.7836 -17.7836 -9.6157 -9.6106 -9.3669 -9.3617 -9.2761 -9.2759 -7.4310 -7.4307 -5.5137 -5.5134 -5.1252 -5.1233 -4.9379 -4.9378 -0.3902 -0.3886 -0.3305 -0.3295 0.6089 0.6094 0.7118 0.7133 1.8105 1.8114 4.2253 4.2260 9.3573 9.3597 10.3535 10.3569 11.1527 11.1529 k = 0.5552 0.0293 0.0244 ( 2927 PWs) bands (ev): -25.8634 -25.8634 -23.5717 -23.5717 -17.8211 -17.8211 -17.7845 -17.7845 -9.6165 -9.6112 -9.3677 -9.3624 -9.2772 -9.2770 -7.4338 -7.4335 -5.5193 -5.5191 -5.1247 -5.1228 -4.9387 -4.9386 -0.3800 -0.3783 -0.3224 -0.3213 0.6072 0.6078 0.7138 0.7154 1.8175 1.8184 4.2184 4.2191 9.3681 9.3707 10.3665 10.3700 11.1857 11.1859 k = 0.5591 0.0396 0.0329 ( 2925 PWs) bands (ev): -25.8632 -25.8632 -23.5712 -23.5712 -17.8213 -17.8212 -17.7855 -17.7855 -9.6173 -9.6119 -9.3686 -9.3631 -9.2784 -9.2782 -7.4366 -7.4362 -5.5253 -5.5251 -5.1241 -5.1220 -4.9395 -4.9394 -0.3694 -0.3676 -0.3139 -0.3127 0.6056 0.6062 0.7160 0.7176 1.8248 1.8258 4.2111 4.2119 9.3801 9.3827 10.3793 10.3829 11.2210 11.2212 k = 0.5631 0.0498 0.0414 ( 2921 PWs) bands (ev): -25.8630 -25.8630 -23.5706 -23.5706 -17.8214 -17.8214 -17.7866 -17.7866 -9.6181 -9.6126 -9.3695 -9.3641 -9.2797 -9.2796 -7.4394 -7.4389 -5.5316 -5.5314 -5.1233 -5.1212 -4.9404 -4.9403 -0.3586 -0.3567 -0.3050 -0.3037 0.6041 0.6047 0.7183 0.7201 1.8324 1.8334 4.2035 4.2044 9.3931 9.3959 10.3917 10.3954 11.2586 11.2588 k = 0.5670 0.0600 0.0499 ( 2925 PWs) bands (ev): -25.8628 -25.8628 -23.5700 -23.5700 -17.8215 -17.8215 -17.7876 -17.7876 -9.6190 -9.6135 -9.3706 -9.3651 -9.2811 -9.2810 -7.4421 -7.4415 -5.5381 -5.5380 -5.1223 -5.1201 -4.9413 -4.9412 -0.3476 -0.3455 -0.2958 -0.2945 0.6028 0.6034 0.7209 0.7227 1.8403 1.8413 4.1956 4.1965 9.4073 9.4101 10.4037 10.4074 11.2983 11.2985 k = 0.5710 0.0703 0.0585 ( 2925 PWs) bands (ev): -25.8625 -25.8625 -23.5694 -23.5694 -17.8216 -17.8216 -17.7888 -17.7888 -9.6200 -9.6145 -9.3717 -9.3663 -9.2826 -9.2825 -7.4446 -7.4440 -5.5450 -5.5449 -5.1212 -5.1190 -4.9422 -4.9421 -0.3365 -0.3343 -0.2864 -0.2850 0.6016 0.6023 0.7237 0.7256 1.8483 1.8494 4.1873 4.1883 9.4227 9.4255 10.4148 10.4186 11.3402 11.3404 k = 0.5749 0.0805 0.0670 ( 2927 PWs) bands (ev): -25.8623 -25.8623 -23.5687 -23.5687 -17.8217 -17.8217 -17.7899 -17.7899 -9.6211 -9.6157 -9.3729 -9.3677 -9.2842 -9.2841 -7.4470 -7.4464 -5.5520 -5.5519 -5.1200 -5.1176 -4.9432 -4.9431 -0.3253 -0.3230 -0.2768 -0.2753 0.6007 0.6013 0.7266 0.7286 1.8566 1.8577 4.1788 4.1798 9.4391 9.4419 10.4252 10.4289 11.3841 11.3844 k = 0.5789 0.0907 0.0755 ( 2929 PWs) bands (ev): -25.8620 -25.8620 -23.5681 -23.5681 -17.8218 -17.8217 -17.7911 -17.7911 -9.6222 -9.6169 -9.3743 -9.3691 -9.2859 -9.2859 -7.4492 -7.4485 -5.5592 -5.5592 -5.1185 -5.1161 -4.9442 -4.9441 -0.3142 -0.3118 -0.2670 -0.2655 0.5999 0.6006 0.7297 0.7318 1.8650 1.8661 4.1700 4.1711 9.4565 9.4594 10.4345 10.4382 11.4301 11.4304 k = 0.5828 0.1009 0.0840 ( 2929 PWs) bands (ev): -25.8618 -25.8618 -23.5674 -23.5674 -17.8218 -17.8218 -17.7922 -17.7922 -9.6234 -9.6183 -9.3757 -9.3707 -9.2877 -9.2877 -7.4512 -7.4505 -5.5666 -5.5666 -5.1169 -5.1144 -4.9452 -4.9451 -0.3032 -0.3006 -0.2570 -0.2555 0.5994 0.6001 0.7330 0.7351 1.8735 1.8746 4.1610 4.1622 9.4749 9.4778 10.4427 10.4464 11.4779 11.4783 k = 0.5867 0.1112 0.0925 ( 2929 PWs) bands (ev): -25.8616 -25.8616 -23.5668 -23.5668 -17.8218 -17.8218 -17.7934 -17.7934 -9.6246 -9.6197 -9.3771 -9.3725 -9.2896 -9.2896 -7.4530 -7.4522 -5.5742 -5.5741 -5.1151 -5.1126 -4.9462 -4.9461 -0.2923 -0.2896 -0.2470 -0.2455 0.5992 0.5999 0.7365 0.7386 1.8821 1.8832 4.1518 4.1531 9.4942 9.4971 10.4498 10.4535 11.5275 11.5279 k = 0.5907 0.1214 0.1010 ( 2929 PWs) bands (ev): -25.8613 -25.8613 -23.5662 -23.5662 -17.8218 -17.8217 -17.7946 -17.7946 -9.6260 -9.6213 -9.3787 -9.3743 -9.2916 -9.2915 -7.4545 -7.4537 -5.5818 -5.5817 -5.1132 -5.1106 -4.9472 -4.9471 -0.2816 -0.2788 -0.2370 -0.2354 0.5993 0.5999 0.7400 0.7422 1.8907 1.8919 4.1425 4.1438 9.5143 9.5172 10.4558 10.4593 11.5786 11.5792 k = 0.5946 0.1316 0.1095 ( 2932 PWs) bands (ev): -25.8611 -25.8611 -23.5655 -23.5655 -17.8217 -17.8216 -17.7958 -17.7958 -9.6274 -9.6230 -9.3804 -9.3763 -9.2936 -9.2936 -7.4559 -7.4550 -5.5895 -5.5893 -5.1111 -5.1084 -4.9483 -4.9481 -0.2712 -0.2683 -0.2269 -0.2253 0.5997 0.6003 0.7437 0.7459 1.8994 1.9005 4.1331 4.1344 9.5350 9.5378 10.4606 10.4641 11.6310 11.6317 k = 0.5986 0.1419 0.1180 ( 2930 PWs) bands (ev): -25.8608 -25.8608 -23.5649 -23.5649 -17.8215 -17.8215 -17.7970 -17.7970 -9.6289 -9.6249 -9.3821 -9.3784 -9.2957 -9.2957 -7.4569 -7.4560 -5.5971 -5.5969 -5.1088 -5.1060 -4.9493 -4.9492 -0.2611 -0.2581 -0.2169 -0.2153 0.6003 0.6009 0.7476 0.7497 1.9080 1.9092 4.1236 4.1250 9.5560 9.5588 10.4643 10.4677 11.6843 11.6851 k = 0.6025 0.1521 0.1266 ( 2928 PWs) bands (ev): -25.8606 -25.8606 -23.5643 -23.5643 -17.8214 -17.8213 -17.7982 -17.7982 -9.6304 -9.6268 -9.3838 -9.3805 -9.2979 -9.2979 -7.4578 -7.4568 -5.6048 -5.6045 -5.1064 -5.1035 -4.9503 -4.9502 -0.2514 -0.2483 -0.2071 -0.2054 0.6013 0.6019 0.7515 0.7536 1.9166 1.9178 4.1140 4.1155 9.5773 9.5800 10.4673 10.4705 11.7316 11.7342 k = 0.6065 0.1623 0.1351 ( 2928 PWs) bands (ev): -25.8604 -25.8604 -23.5637 -23.5637 -17.8212 -17.8211 -17.7993 -17.7993 -9.6321 -9.6288 -9.3857 -9.3828 -9.3001 -9.3001 -7.4584 -7.4574 -5.6123 -5.6121 -5.1038 -5.1009 -4.9514 -4.9513 -0.2421 -0.2390 -0.1973 -0.1957 0.6026 0.6032 0.7554 0.7576 1.9251 1.9263 4.1044 4.1059 9.5985 9.6011 10.4695 10.4727 11.7086 11.7105 k = 0.6104 0.1725 0.1436 ( 2925 PWs) bands (ev): -25.8601 -25.8601 -23.5631 -23.5631 -17.8209 -17.8209 -17.8005 -17.8004 -9.6337 -9.6309 -9.3876 -9.3851 -9.3024 -9.3023 -7.4588 -7.4578 -5.6198 -5.6196 -5.1010 -5.0980 -4.9524 -4.9523 -0.2333 -0.2300 -0.1877 -0.1861 0.6042 0.6048 0.7594 0.7616 1.9336 1.9348 4.0949 4.0964 9.6193 9.6218 10.4713 10.4743 11.6854 11.6874 k = 0.6143 0.1828 0.1521 ( 2935 PWs) bands (ev): -25.8599 -25.8599 -23.5625 -23.5625 -17.8206 -17.8206 -17.8016 -17.8016 -9.6355 -9.6331 -9.3895 -9.3875 -9.3046 -9.3046 -7.4590 -7.4579 -5.6272 -5.6269 -5.0981 -5.0951 -4.9535 -4.9533 -0.2249 -0.2216 -0.1784 -0.1768 0.6062 0.6067 0.7634 0.7655 1.9419 1.9431 4.0854 4.0870 9.6393 9.6418 10.4729 10.4759 11.6629 11.6651 k = 0.6183 0.1930 0.1606 ( 2941 PWs) bands (ev): -25.8598 -25.8598 -23.5620 -23.5620 -17.8203 -17.8202 -17.8026 -17.8026 -9.6373 -9.6354 -9.3915 -9.3900 -9.3069 -9.3068 -7.4590 -7.4579 -5.6344 -5.6341 -5.0950 -5.0919 -4.9545 -4.9544 -0.2171 -0.2137 -0.1693 -0.1677 0.6084 0.6089 0.7673 0.7694 1.9501 1.9512 4.0761 4.0777 9.6584 9.6607 10.4747 10.4776 11.6413 11.6436 k = 0.6222 0.2032 0.1691 ( 2938 PWs) bands (ev): -25.8596 -25.8596 -23.5615 -23.5615 -17.8199 -17.8198 -17.8037 -17.8037 -9.6392 -9.6377 -9.3935 -9.3924 -9.3090 -9.3090 -7.4588 -7.4578 -5.6414 -5.6411 -5.0918 -5.0887 -4.9555 -4.9554 -0.2097 -0.2063 -0.1604 -0.1589 0.6109 0.6114 0.7712 0.7733 1.9581 1.9592 4.0669 4.0685 9.6760 9.6783 10.4770 10.4797 11.6207 11.6231 k = 0.6262 0.2135 0.1776 ( 2942 PWs) bands (ev): -25.8594 -25.8594 -23.5610 -23.5610 -17.8194 -17.8194 -17.8047 -17.8046 -9.6411 -9.6401 -9.3955 -9.3949 -9.3112 -9.3112 -7.4586 -7.4575 -5.6481 -5.6478 -5.0885 -5.0853 -4.9565 -4.9564 -0.2029 -0.1994 -0.1519 -0.1504 0.6137 0.6142 0.7750 0.7770 1.9659 1.9670 4.0579 4.0596 9.6919 9.6940 10.4799 10.4825 11.6010 11.6036 k = 0.6301 0.2237 0.1861 ( 2942 PWs) bands (ev): -25.8592 -25.8592 -23.5605 -23.5605 -17.8189 -17.8189 -17.8056 -17.8056 -9.6430 -9.6425 -9.3975 -9.3974 -9.3133 -9.3133 -7.4582 -7.4572 -5.6546 -5.6543 -5.0850 -5.0818 -4.9575 -4.9574 -0.1967 -0.1932 -0.1438 -0.1423 0.6168 0.6173 0.7787 0.7807 1.9735 1.9746 4.0492 4.0508 9.7057 9.7077 10.4836 10.4861 11.5824 11.5851 k = 0.6341 0.2339 0.1947 ( 2940 PWs) bands (ev): -25.8591 -25.8591 -23.5601 -23.5601 -17.8184 -17.8184 -17.8065 -17.8065 -9.6450 -9.6449 -9.3999 -9.3995 -9.3153 -9.3152 -7.4578 -7.4568 -5.6608 -5.6605 -5.0814 -5.0781 -4.9585 -4.9584 -0.1911 -0.1875 -0.1360 -0.1346 0.6202 0.6206 0.7823 0.7841 1.9810 1.9820 4.0407 4.0424 9.7172 9.7190 10.4883 10.4906 11.5649 11.5677 k = 0.6380 0.2441 0.2032 ( 2938 PWs) bands (ev): -25.8590 -25.8590 -23.5597 -23.5597 -17.8178 -17.8178 -17.8073 -17.8073 -9.6473 -9.6470 -9.4023 -9.4014 -9.3171 -9.3171 -7.4574 -7.4564 -5.6667 -5.6664 -5.0777 -5.0744 -4.9594 -4.9594 -0.1860 -0.1824 -0.1286 -0.1273 0.6238 0.6242 0.7856 0.7874 1.9881 1.9892 4.0326 4.0342 9.7261 9.7278 10.4937 10.4960 11.5487 11.5517 k = 0.6419 0.2544 0.2117 ( 2940 PWs) bands (ev): -25.8589 -25.8589 -23.5593 -23.5593 -17.8172 -17.8172 -17.8081 -17.8081 -9.6497 -9.6490 -9.4046 -9.4033 -9.3189 -9.3189 -7.4570 -7.4560 -5.6722 -5.6719 -5.0739 -5.0705 -4.9604 -4.9603 -0.1815 -0.1779 -0.1216 -0.1204 0.6276 0.6280 0.7888 0.7905 1.9951 1.9961 4.0248 4.0265 9.7325 9.7340 10.4997 10.5019 11.5340 11.5371 k = 0.6459 0.2646 0.2202 ( 2937 PWs) bands (ev): -25.8588 -25.8588 -23.5590 -23.5590 -17.8166 -17.8166 -17.8088 -17.8088 -9.6521 -9.6509 -9.4069 -9.4052 -9.3205 -9.3205 -7.4567 -7.4557 -5.6774 -5.6771 -5.0699 -5.0666 -4.9613 -4.9612 -0.1775 -0.1739 -0.1151 -0.1139 0.6316 0.6320 0.7917 0.7933 2.0018 2.0027 4.0175 4.0191 9.7362 9.7377 10.5058 10.5080 11.5210 11.5242 k = 0.6498 0.2748 0.2287 ( 2935 PWs) bands (ev): -25.8587 -25.8587 -23.5587 -23.5587 -17.8159 -17.8159 -17.8094 -17.8094 -9.6543 -9.6528 -9.4090 -9.4070 -9.3220 -9.3220 -7.4565 -7.4556 -5.6821 -5.6818 -5.0659 -5.0626 -4.9622 -4.9622 -0.1742 -0.1706 -0.1090 -0.1080 0.6358 0.6361 0.7943 0.7959 2.0082 2.0091 4.0106 4.0121 9.7376 9.7389 10.5115 10.5135 11.5100 11.5133 k = 0.6538 0.2851 0.2372 ( 2937 PWs) bands (ev): -25.8587 -25.8587 -23.5585 -23.5585 -17.8152 -17.8152 -17.8099 -17.8099 -9.6565 -9.6547 -9.4110 -9.4086 -9.3233 -9.3233 -7.4565 -7.4556 -5.6864 -5.6862 -5.0618 -5.0585 -4.9631 -4.9631 -0.1714 -0.1678 -0.1035 -0.1025 0.6402 0.6404 0.7967 0.7981 2.0143 2.0152 4.0041 4.0057 9.7366 9.7378 10.5159 10.5179 11.5015 11.5048 Writing output data file KNO3.save init_run : 3.32s CPU 12.31s WALL ( 1 calls) electrons : 424.36s CPU 428.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 2.09s WALL ( 1 calls) Called by electrons: c_bands : 424.25s CPU 428.55s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.99s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.11s CPU 0.62s WALL ( 1 calls) newd : 0.30s CPU 0.45s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 295 calls) cegterg : 407.90s CPU 410.23s WALL ( 941 calls) Called by sum_band: Called by *egterg: h_psi : 153.17s CPU 160.35s WALL ( 17366 calls) s_psi : 11.15s CPU 12.41s WALL ( 17366 calls) g_psi : 0.34s CPU 0.51s WALL ( 16130 calls) cdiaghg : 183.71s CPU 180.37s WALL ( 16425 calls) cegterg:over : 31.89s CPU 27.96s WALL ( 16130 calls) cegterg:upda : 3.96s CPU 7.68s WALL ( 16130 calls) cegterg:last : 4.19s CPU 5.00s WALL ( 2203 calls) Called by h_psi: h_psi:vloc : 124.26s CPU 131.46s WALL ( 17366 calls) h_psi:vnl : 28.76s CPU 28.45s WALL ( 17366 calls) add_vuspsi : 6.31s CPU 9.98s WALL ( 17366 calls) General routines calbec : 22.40s CPU 18.32s WALL ( 17366 calls) fft : 0.58s CPU 1.56s WALL ( 19 calls) ffts : 0.02s CPU 0.59s WALL ( 4 calls) fftw : 118.43s CPU 124.82s WALL ( 1029144 calls) interpolate : 0.02s CPU 0.63s WALL ( 4 calls) davcio : 0.03s CPU 0.93s WALL ( 590 calls) Parallel routines fft_scatter : 82.03s CPU 87.09s WALL ( 1029167 calls) PWSCF : 7m39.56s CPU 8m42.64s WALL This run was terminated on: 2:14: 6 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=