Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 8:38:34 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Pb.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 32 9 1000 830 123 Max 37 33 10 1004 842 126 Sum 2633 2323 659 72109 60213 8973 bravais-lattice index = 14 lattice parameter (alat) = 15.7854 a.u. unit-cell volume = 1384.1285 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.785432 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.780075 celldm(5)= 0.780075 celldm(6)= 0.780075 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.780075 0.625686 0.000000 ) a(3) = ( 0.780075 0.274192 0.562407 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.246752 -0.779197 ) b(2) = ( 0.000000 1.598246 -0.779197 ) b(3) = ( 0.000000 0.000000 1.778072 ) PseudoPot. # 1 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 232 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 2) = ( 0.0147059 -0.0183346 -0.0114588), wk = 0.0043103 k( 3) = ( 0.0294118 -0.0366692 -0.0229176), wk = 0.0043103 k( 4) = ( 0.0441177 -0.0550038 -0.0343764), wk = 0.0043103 k( 5) = ( 0.0588235 -0.0733384 -0.0458351), wk = 0.0043103 k( 6) = ( 0.0735294 -0.0916730 -0.0572939), wk = 0.0043103 k( 7) = ( 0.0882353 -0.1100075 -0.0687527), wk = 0.0043103 k( 8) = ( 0.1029412 -0.1283421 -0.0802115), wk = 0.0043103 k( 9) = ( 0.1176471 -0.1466767 -0.0916703), wk = 0.0043103 k( 10) = ( 0.1323529 -0.1650113 -0.1031290), wk = 0.0043103 k( 11) = ( 0.1470588 -0.1833459 -0.1145878), wk = 0.0043103 k( 12) = ( 0.1617647 -0.2016805 -0.1260466), wk = 0.0043103 k( 13) = ( 0.1764706 -0.2200151 -0.1375054), wk = 0.0043103 k( 14) = ( 0.1911765 -0.2383497 -0.1489642), wk = 0.0043103 k( 15) = ( 0.2058823 -0.2566843 -0.1604230), wk = 0.0043103 k( 16) = ( 0.2205882 -0.2750189 -0.1718818), wk = 0.0043103 k( 17) = ( 0.2352941 -0.2933535 -0.1833405), wk = 0.0043103 k( 18) = ( 0.2500000 -0.3116881 -0.1947993), wk = 0.0043103 k( 19) = ( 0.2647059 -0.3300226 -0.2062581), wk = 0.0043103 k( 20) = ( 0.2794118 -0.3483572 -0.2177169), wk = 0.0043103 k( 21) = ( 0.2941177 -0.3666918 -0.2291757), wk = 0.0043103 k( 22) = ( 0.3088235 -0.3850264 -0.2406344), wk = 0.0043103 k( 23) = ( 0.3235294 -0.4033610 -0.2520932), wk = 0.0043103 k( 24) = ( 0.3382353 -0.4216956 -0.2635520), wk = 0.0043103 k( 25) = ( 0.3529412 -0.4400302 -0.2750108), wk = 0.0043103 k( 26) = ( 0.3676471 -0.4583648 -0.2864696), wk = 0.0043103 k( 27) = ( 0.3823529 -0.4766994 -0.2979284), wk = 0.0043103 k( 28) = ( 0.3970588 -0.4950340 -0.3093871), wk = 0.0043103 k( 29) = ( 0.4117647 -0.5133686 -0.3208459), wk = 0.0043103 k( 30) = ( 0.4264706 -0.5317032 -0.3323047), wk = 0.0043103 k( 31) = ( 0.4411765 -0.5500377 -0.3437635), wk = 0.0043103 k( 32) = ( 0.4558823 -0.5683723 -0.3552223), wk = 0.0043103 k( 33) = ( 0.4705882 -0.5867069 -0.3666811), wk = 0.0043103 k( 34) = ( 0.4852941 -0.6050415 -0.3781398), wk = 0.0043103 k( 35) = ( 0.5000000 -0.6233761 -0.3895986), wk = 0.0043103 k( 36) = ( 0.5000000 -0.6233761 -0.3895986), wk = 0.0043103 k( 37) = ( 0.5000000 -0.6098048 -0.4113133), wk = 0.0043103 k( 38) = ( 0.5000000 -0.5962336 -0.4330280), wk = 0.0043103 k( 39) = ( 0.5000000 -0.5826623 -0.4547426), wk = 0.0043103 k( 40) = ( 0.5000000 -0.5690910 -0.4764573), wk = 0.0043103 k( 41) = ( 0.5000000 -0.5555198 -0.4981720), wk = 0.0043103 k( 42) = ( 0.5000000 -0.5419485 -0.5198866), wk = 0.0043103 k( 43) = ( 0.5000000 -0.5283772 -0.5416013), wk = 0.0043103 k( 44) = ( 0.5000000 -0.5148060 -0.5633159), wk = 0.0043103 k( 45) = ( 0.5000000 -0.5012347 -0.5850306), wk = 0.0043103 k( 46) = ( 0.5000000 -0.4876634 -0.6067453), wk = 0.0043103 k( 47) = ( 0.5000000 -0.4740922 -0.6284599), wk = 0.0043103 k( 48) = ( 0.5000000 -0.4605209 -0.6501746), wk = 0.0043103 k( 49) = ( 0.5000000 -0.4469496 -0.6718893), wk = 0.0043103 k( 50) = ( 0.5000000 -0.4333784 -0.6936039), wk = 0.0043103 k( 51) = ( 0.5000000 -0.4198071 -0.7153186), wk = 0.0043103 k( 52) = ( 0.5000000 -0.4062358 -0.7370333), wk = 0.0043103 k( 53) = ( 0.5000000 -0.3926646 -0.7587479), wk = 0.0043103 k( 54) = ( 0.5000000 -0.3790933 -0.7804626), wk = 0.0043103 k( 55) = ( 0.5000000 -0.3655220 -0.8021772), wk = 0.0043103 k( 56) = ( 0.5000000 -0.3519508 -0.8238919), wk = 0.0043103 k( 57) = ( 0.5000000 -0.3383795 -0.8456066), wk = 0.0043103 k( 58) = ( 0.5000000 -0.3248082 -0.8673212), wk = 0.0043103 k( 59) = ( 0.5000000 -0.3112370 -0.8890359), wk = 0.0043103 k( 60) = ( 0.8046990 -0.2041371 -0.6693586), wk = 0.0043103 k( 61) = ( 0.7959933 -0.1932833 -0.6470958), wk = 0.0043103 k( 62) = ( 0.7872876 -0.1824294 -0.6248330), wk = 0.0043103 k( 63) = ( 0.7785819 -0.1715756 -0.6025702), wk = 0.0043103 k( 64) = ( 0.7698762 -0.1607218 -0.5803075), wk = 0.0043103 k( 65) = ( 0.7611706 -0.1498679 -0.5580447), wk = 0.0043103 k( 66) = ( 0.7524649 -0.1390141 -0.5357819), wk = 0.0043103 k( 67) = ( 0.7437592 -0.1281603 -0.5135192), wk = 0.0043103 k( 68) = ( 0.7350535 -0.1173064 -0.4912564), wk = 0.0043103 k( 69) = ( 0.7263478 -0.1064526 -0.4689936), wk = 0.0043103 k( 70) = ( 0.7176421 -0.0955988 -0.4467308), wk = 0.0043103 k( 71) = ( 0.7089364 -0.0847450 -0.4244680), wk = 0.0043103 k( 72) = ( 0.7002308 -0.0738911 -0.4022052), wk = 0.0043103 k( 73) = ( 0.6915251 -0.0630373 -0.3799425), wk = 0.0043103 k( 74) = ( 0.6828194 -0.0521834 -0.3576797), wk = 0.0043103 k( 75) = ( 0.6741137 -0.0413296 -0.3354169), wk = 0.0043103 k( 76) = ( 0.6654080 -0.0304758 -0.3131541), wk = 0.0043103 k( 77) = ( 0.6567023 -0.0196220 -0.2908914), wk = 0.0043103 k( 78) = ( 0.6479966 -0.0087681 -0.2686286), wk = 0.0043103 k( 79) = ( 0.6392910 0.0020857 -0.2463658), wk = 0.0043103 k( 80) = ( 0.6305853 0.0129395 -0.2241030), wk = 0.0043103 k( 81) = ( 0.6218796 0.0237934 -0.2018402), wk = 0.0043103 k( 82) = ( 0.6131739 0.0346472 -0.1795775), wk = 0.0043103 k( 83) = ( 0.6044682 0.0455010 -0.1573147), wk = 0.0043103 k( 84) = ( 0.5957625 0.0563549 -0.1350519), wk = 0.0043103 k( 85) = ( 0.5870568 0.0672087 -0.1127891), wk = 0.0043103 k( 86) = ( 0.5783512 0.0780625 -0.0905263), wk = 0.0043103 k( 87) = ( 0.5696455 0.0889164 -0.0682636), wk = 0.0043103 k( 88) = ( 0.5609398 0.0997702 -0.0460008), wk = 0.0043103 k( 89) = ( 0.5522341 0.1106240 -0.0237380), wk = 0.0043103 k( 90) = ( 0.5435284 0.1214779 -0.0014752), wk = 0.0043103 k( 91) = ( 0.5348227 0.1323317 0.0207875), wk = 0.0043103 k( 92) = ( 0.5261170 0.1431855 0.0430503), wk = 0.0043103 k( 93) = ( 0.5174114 0.1540394 0.0653131), wk = 0.0043103 k( 94) = ( 0.5087057 0.1648932 0.0875759), wk = 0.0043103 k( 95) = ( 0.5000000 0.1757470 0.1098387), wk = 0.0043103 k( 96) = ( 0.5000000 0.1757470 0.1098387), wk = 0.0043103 k( 97) = ( 0.4761905 0.1673781 0.1046082), wk = 0.0043103 k( 98) = ( 0.4523810 0.1590092 0.0993778), wk = 0.0043103 k( 99) = ( 0.4285714 0.1506403 0.0941474), wk = 0.0043103 k( 100) = ( 0.4047619 0.1422714 0.0889170), wk = 0.0043103 k( 101) = ( 0.3809524 0.1339025 0.0836866), wk = 0.0043103 k( 102) = ( 0.3571429 0.1255336 0.0784562), wk = 0.0043103 k( 103) = ( 0.3333333 0.1171647 0.0732258), wk = 0.0043103 k( 104) = ( 0.3095238 0.1087958 0.0679954), wk = 0.0043103 k( 105) = ( 0.2857143 0.1004269 0.0627650), wk = 0.0043103 k( 106) = ( 0.2619048 0.0920580 0.0575345), wk = 0.0043103 k( 107) = ( 0.2380952 0.0836891 0.0523041), wk = 0.0043103 k( 108) = ( 0.2142857 0.0753201 0.0470737), wk = 0.0043103 k( 109) = ( 0.1904762 0.0669512 0.0418433), wk = 0.0043103 k( 110) = ( 0.1666667 0.0585823 0.0366129), wk = 0.0043103 k( 111) = ( 0.1428571 0.0502134 0.0313825), wk = 0.0043103 k( 112) = ( 0.1190476 0.0418445 0.0261521), wk = 0.0043103 k( 113) = ( 0.0952381 0.0334756 0.0209217), wk = 0.0043103 k( 114) = ( 0.0714286 0.0251067 0.0156912), wk = 0.0043103 k( 115) = ( 0.0476191 0.0167378 0.0104608), wk = 0.0043103 k( 116) = ( 0.0238095 0.0083689 0.0052304), wk = 0.0043103 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 119) = ( 0.0086913 -0.0108358 -0.0222259), wk = 0.0043103 k( 120) = ( 0.0173825 -0.0216717 -0.0444518), wk = 0.0043103 k( 121) = ( 0.0260738 -0.0325076 -0.0666777), wk = 0.0043103 k( 122) = ( 0.0347650 -0.0433434 -0.0889036), wk = 0.0043103 k( 123) = ( 0.0434563 -0.0541793 -0.1111295), wk = 0.0043103 k( 124) = ( 0.0521476 -0.0650151 -0.1333554), wk = 0.0043103 k( 125) = ( 0.0608388 -0.0758510 -0.1555813), wk = 0.0043103 k( 126) = ( 0.0695301 -0.0866868 -0.1778072), wk = 0.0043103 k( 127) = ( 0.0782214 -0.0975227 -0.2000331), wk = 0.0043103 k( 128) = ( 0.0869126 -0.1083585 -0.2222590), wk = 0.0043103 k( 129) = ( 0.0956039 -0.1191944 -0.2444849), wk = 0.0043103 k( 130) = ( 0.1042952 -0.1300302 -0.2667108), wk = 0.0043103 k( 131) = ( 0.1129864 -0.1408661 -0.2889367), wk = 0.0043103 k( 132) = ( 0.1216777 -0.1517019 -0.3111626), wk = 0.0043103 k( 133) = ( 0.1303689 -0.1625378 -0.3333885), wk = 0.0043103 k( 134) = ( 0.1390602 -0.1733736 -0.3556144), wk = 0.0043103 k( 135) = ( 0.1477515 -0.1842095 -0.3778403), wk = 0.0043103 k( 136) = ( 0.1564427 -0.1950453 -0.4000662), wk = 0.0043103 k( 137) = ( 0.1651340 -0.2058812 -0.4222920), wk = 0.0043103 k( 138) = ( 0.1738253 -0.2167170 -0.4445180), wk = 0.0043103 k( 139) = ( 0.1825165 -0.2275529 -0.4667439), wk = 0.0043103 k( 140) = ( 0.1912078 -0.2383887 -0.4889697), wk = 0.0043103 k( 141) = ( 0.1998990 -0.2492246 -0.5111957), wk = 0.0043103 k( 142) = ( 0.2085903 -0.2600604 -0.5334216), wk = 0.0043103 k( 143) = ( 0.2172816 -0.2708963 -0.5556474), wk = 0.0043103 k( 144) = ( 0.2259728 -0.2817321 -0.5778734), wk = 0.0043103 k( 145) = ( 0.2346641 -0.2925680 -0.6000993), wk = 0.0043103 k( 146) = ( 0.2433554 -0.3034038 -0.6223251), wk = 0.0043103 k( 147) = ( 0.2520466 -0.3142397 -0.6445510), wk = 0.0043103 k( 148) = ( 0.2607379 -0.3250755 -0.6667769), wk = 0.0043103 k( 149) = ( 0.2694292 -0.3359114 -0.6890028), wk = 0.0043103 k( 150) = ( 0.2781204 -0.3467472 -0.7112287), wk = 0.0043103 k( 151) = ( 0.2868117 -0.3575831 -0.7334546), wk = 0.0043103 k( 152) = ( 0.2955029 -0.3684189 -0.7556805), wk = 0.0043103 k( 153) = ( 0.3041942 -0.3792548 -0.7779064), wk = 0.0043103 k( 154) = ( 0.3128855 -0.3900906 -0.8001323), wk = 0.0043103 k( 155) = ( 0.3215767 -0.4009265 -0.8223582), wk = 0.0043103 k( 156) = ( 0.3302680 -0.4117623 -0.8445841), wk = 0.0043103 k( 157) = ( 0.3389592 -0.4225982 -0.8668100), wk = 0.0043103 k( 158) = ( 0.3476505 -0.4334341 -0.8890359), wk = 0.0043103 k( 159) = ( 0.6523495 -0.2576870 -0.7791973), wk = 0.0043103 k( 160) = ( 0.6438856 -0.2336074 -0.7791973), wk = 0.0043103 k( 161) = ( 0.6354218 -0.2095277 -0.7791973), wk = 0.0043103 k( 162) = ( 0.6269579 -0.1854480 -0.7791973), wk = 0.0043103 k( 163) = ( 0.6184940 -0.1613683 -0.7791973), wk = 0.0043103 k( 164) = ( 0.6100302 -0.1372887 -0.7791973), wk = 0.0043103 k( 165) = ( 0.6015663 -0.1132090 -0.7791973), wk = 0.0043103 k( 166) = ( 0.5931025 -0.0891293 -0.7791973), wk = 0.0043103 k( 167) = ( 0.5846386 -0.0650497 -0.7791973), wk = 0.0043103 k( 168) = ( 0.5761747 -0.0409700 -0.7791973), wk = 0.0043103 k( 169) = ( 0.5677109 -0.0168903 -0.7791973), wk = 0.0043103 k( 170) = ( 0.5592470 0.0071893 -0.7791973), wk = 0.0043103 k( 171) = ( 0.5507832 0.0312690 -0.7791973), wk = 0.0043103 k( 172) = ( 0.5423193 0.0553487 -0.7791973), wk = 0.0043103 k( 173) = ( 0.5338554 0.0794283 -0.7791973), wk = 0.0043103 k( 174) = ( 0.5253916 0.1035080 -0.7791973), wk = 0.0043103 k( 175) = ( 0.5169277 0.1275877 -0.7791973), wk = 0.0043103 k( 176) = ( 0.5084639 0.1516673 -0.7791973), wk = 0.0043103 k( 177) = ( 0.5000000 0.1757470 -0.7791973), wk = 0.0043103 k( 178) = ( 0.5000000 0.1757470 -0.7791973), wk = 0.0043103 k( 179) = ( 0.5190437 0.1824408 -0.7654674), wk = 0.0043103 k( 180) = ( 0.5380874 0.1891345 -0.7517376), wk = 0.0043103 k( 181) = ( 0.5571311 0.1958282 -0.7380078), wk = 0.0043103 k( 182) = ( 0.5761747 0.2025220 -0.7242779), wk = 0.0043103 k( 183) = ( 0.5952184 0.2092157 -0.7105481), wk = 0.0043103 k( 184) = ( 0.6142621 0.2159095 -0.6968183), wk = 0.0043103 k( 185) = ( 0.6333058 0.2226032 -0.6830884), wk = 0.0043103 k( 186) = ( 0.6523495 0.2292970 -0.6693586), wk = 0.0043103 k( 187) = ( 0.6523495 0.2292970 -0.6693586), wk = 0.0043103 k( 188) = ( 0.6472712 0.2275120 -0.6433854), wk = 0.0043103 k( 189) = ( 0.6421929 0.2257270 -0.6174121), wk = 0.0043103 k( 190) = ( 0.6371145 0.2239420 -0.5914389), wk = 0.0043103 k( 191) = ( 0.6320362 0.2221570 -0.5654656), wk = 0.0043103 k( 192) = ( 0.6269579 0.2203720 -0.5394924), wk = 0.0043103 k( 193) = ( 0.6218796 0.2185870 -0.5135192), wk = 0.0043103 k( 194) = ( 0.6168013 0.2168020 -0.4875459), wk = 0.0043103 k( 195) = ( 0.6117230 0.2150170 -0.4615727), wk = 0.0043103 k( 196) = ( 0.6066446 0.2132320 -0.4355994), wk = 0.0043103 k( 197) = ( 0.6015663 0.2114470 -0.4096262), wk = 0.0043103 k( 198) = ( 0.5964880 0.2096620 -0.3836529), wk = 0.0043103 k( 199) = ( 0.5914097 0.2078770 -0.3576797), wk = 0.0043103 k( 200) = ( 0.5863314 0.2060920 -0.3317064), wk = 0.0043103 k( 201) = ( 0.5812531 0.2043070 -0.3057332), wk = 0.0043103 k( 202) = ( 0.5761747 0.2025220 -0.2797600), wk = 0.0043103 k( 203) = ( 0.5710964 0.2007370 -0.2537867), wk = 0.0043103 k( 204) = ( 0.5660181 0.1989520 -0.2278135), wk = 0.0043103 k( 205) = ( 0.5609398 0.1971670 -0.2018402), wk = 0.0043103 k( 206) = ( 0.5558615 0.1953820 -0.1758670), wk = 0.0043103 k( 207) = ( 0.5507832 0.1935970 -0.1498937), wk = 0.0043103 k( 208) = ( 0.5457049 0.1918120 -0.1239205), wk = 0.0043103 k( 209) = ( 0.5406265 0.1900270 -0.0979473), wk = 0.0043103 k( 210) = ( 0.5355482 0.1882420 -0.0719740), wk = 0.0043103 k( 211) = ( 0.5304699 0.1864570 -0.0460008), wk = 0.0043103 k( 212) = ( 0.5253916 0.1846720 -0.0200275), wk = 0.0043103 k( 213) = ( 0.5203133 0.1828870 0.0059457), wk = 0.0043103 k( 214) = ( 0.5152349 0.1811020 0.0319189), wk = 0.0043103 k( 215) = ( 0.5101566 0.1793170 0.0578922), wk = 0.0043103 k( 216) = ( 0.5050783 0.1775320 0.0838654), wk = 0.0043103 k( 217) = ( 0.5000000 0.1757470 0.1098387), wk = 0.0043103 k( 218) = ( 0.5000000 -0.6233761 -0.3895986), wk = 0.0043103 k( 219) = ( 0.5217642 -0.6108227 -0.3817530), wk = 0.0043103 k( 220) = ( 0.5435284 -0.5982694 -0.3739074), wk = 0.0043103 k( 221) = ( 0.5652926 -0.5857160 -0.3660618), wk = 0.0043103 k( 222) = ( 0.5870568 -0.5731627 -0.3582162), wk = 0.0043103 k( 223) = ( 0.6088211 -0.5606093 -0.3503705), wk = 0.0043103 k( 224) = ( 0.6305853 -0.5480560 -0.3425249), wk = 0.0043103 k( 225) = ( 0.6523495 -0.5355026 -0.3346793), wk = 0.0043103 k( 226) = ( 0.6741137 -0.5229492 -0.3268337), wk = 0.0043103 k( 227) = ( 0.6958779 -0.5103959 -0.3189881), wk = 0.0043103 k( 228) = ( 0.7176421 -0.4978425 -0.3111424), wk = 0.0043103 k( 229) = ( 0.7394063 -0.4852892 -0.3032968), wk = 0.0043103 k( 230) = ( 0.7611706 -0.4727358 -0.2954512), wk = 0.0043103 k( 231) = ( 0.7829348 -0.4601824 -0.2876056), wk = 0.0043103 k( 232) = ( 0.8046990 -0.4476291 -0.2797600), wk = 0.0043103 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 2) = ( 0.0147059 0.0000000 -0.0000000), wk = 0.0043103 k( 3) = ( 0.0294118 0.0000000 -0.0000000), wk = 0.0043103 k( 4) = ( 0.0441177 0.0000000 0.0000000), wk = 0.0043103 k( 5) = ( 0.0588235 0.0000000 -0.0000000), wk = 0.0043103 k( 6) = ( 0.0735294 -0.0000000 0.0000000), wk = 0.0043103 k( 7) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0043103 k( 8) = ( 0.1029412 0.0000000 0.0000000), wk = 0.0043103 k( 9) = ( 0.1176471 0.0000000 -0.0000000), wk = 0.0043103 k( 10) = ( 0.1323529 -0.0000000 0.0000000), wk = 0.0043103 k( 11) = ( 0.1470588 -0.0000000 0.0000000), wk = 0.0043103 k( 12) = ( 0.1617647 0.0000000 0.0000000), wk = 0.0043103 k( 13) = ( 0.1764706 -0.0000000 0.0000000), wk = 0.0043103 k( 14) = ( 0.1911765 -0.0000000 0.0000000), wk = 0.0043103 k( 15) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0043103 k( 16) = ( 0.2205882 -0.0000000 0.0000000), wk = 0.0043103 k( 17) = ( 0.2352941 0.0000000 -0.0000000), wk = 0.0043103 k( 18) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0043103 k( 19) = ( 0.2647059 -0.0000000 0.0000000), wk = 0.0043103 k( 20) = ( 0.2794118 0.0000000 0.0000000), wk = 0.0043103 k( 21) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0043103 k( 22) = ( 0.3088235 -0.0000000 -0.0000000), wk = 0.0043103 k( 23) = ( 0.3235294 -0.0000000 0.0000000), wk = 0.0043103 k( 24) = ( 0.3382353 0.0000000 0.0000000), wk = 0.0043103 k( 25) = ( 0.3529412 -0.0000000 0.0000000), wk = 0.0043103 k( 26) = ( 0.3676471 -0.0000000 0.0000000), wk = 0.0043103 k( 27) = ( 0.3823529 -0.0000000 0.0000000), wk = 0.0043103 k( 28) = ( 0.3970588 -0.0000000 0.0000000), wk = 0.0043103 k( 29) = ( 0.4117647 -0.0000000 0.0000000), wk = 0.0043103 k( 30) = ( 0.4264706 -0.0000000 -0.0000000), wk = 0.0043103 k( 31) = ( 0.4411765 -0.0000000 0.0000000), wk = 0.0043103 k( 32) = ( 0.4558823 0.0000000 -0.0000000), wk = 0.0043103 k( 33) = ( 0.4705882 0.0000000 -0.0000000), wk = 0.0043103 k( 34) = ( 0.4852941 0.0000000 -0.0000000), wk = 0.0043103 k( 35) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0043103 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0043103 k( 37) = ( 0.5000000 0.0084914 -0.0084913), wk = 0.0043103 k( 38) = ( 0.5000000 0.0169827 -0.0169827), wk = 0.0043103 k( 39) = ( 0.5000000 0.0254741 -0.0254741), wk = 0.0043103 k( 40) = ( 0.5000000 0.0339654 -0.0339654), wk = 0.0043103 k( 41) = ( 0.5000000 0.0424567 -0.0424567), wk = 0.0043103 k( 42) = ( 0.5000000 0.0509481 -0.0509481), wk = 0.0043103 k( 43) = ( 0.5000000 0.0594394 -0.0594394), wk = 0.0043103 k( 44) = ( 0.5000000 0.0679308 -0.0679308), wk = 0.0043103 k( 45) = ( 0.5000000 0.0764221 -0.0764221), wk = 0.0043103 k( 46) = ( 0.5000000 0.0849135 -0.0849135), wk = 0.0043103 k( 47) = ( 0.5000000 0.0934048 -0.0934048), wk = 0.0043103 k( 48) = ( 0.5000000 0.1018962 -0.1018962), wk = 0.0043103 k( 49) = ( 0.5000000 0.1103875 -0.1103875), wk = 0.0043103 k( 50) = ( 0.5000000 0.1188789 -0.1188789), wk = 0.0043103 k( 51) = ( 0.5000000 0.1273702 -0.1273702), wk = 0.0043103 k( 52) = ( 0.5000000 0.1358616 -0.1358616), wk = 0.0043103 k( 53) = ( 0.5000000 0.1443529 -0.1443529), wk = 0.0043103 k( 54) = ( 0.5000000 0.1528443 -0.1528443), wk = 0.0043103 k( 55) = ( 0.5000000 0.1613356 -0.1613356), wk = 0.0043103 k( 56) = ( 0.5000000 0.1698270 -0.1698270), wk = 0.0043103 k( 57) = ( 0.5000000 0.1783183 -0.1783183), wk = 0.0043103 k( 58) = ( 0.5000000 0.1868097 -0.1868097), wk = 0.0043103 k( 59) = ( 0.5000000 0.1953010 -0.1953010), wk = 0.0043103 k( 60) = ( 0.8046990 0.5000000 0.1953010), wk = 0.0043103 k( 61) = ( 0.7959933 0.5000000 0.2040067), wk = 0.0043103 k( 62) = ( 0.7872876 0.5000000 0.2127124), wk = 0.0043103 k( 63) = ( 0.7785819 0.5000000 0.2214181), wk = 0.0043103 k( 64) = ( 0.7698762 0.5000000 0.2301238), wk = 0.0043103 k( 65) = ( 0.7611706 0.5000000 0.2388295), wk = 0.0043103 k( 66) = ( 0.7524649 0.5000000 0.2475351), wk = 0.0043103 k( 67) = ( 0.7437592 0.5000000 0.2562408), wk = 0.0043103 k( 68) = ( 0.7350535 0.5000000 0.2649465), wk = 0.0043103 k( 69) = ( 0.7263478 0.5000000 0.2736522), wk = 0.0043103 k( 70) = ( 0.7176421 0.5000000 0.2823579), wk = 0.0043103 k( 71) = ( 0.7089364 0.5000000 0.2910636), wk = 0.0043103 k( 72) = ( 0.7002308 0.5000000 0.2997693), wk = 0.0043103 k( 73) = ( 0.6915251 0.5000000 0.3084749), wk = 0.0043103 k( 74) = ( 0.6828194 0.5000000 0.3171806), wk = 0.0043103 k( 75) = ( 0.6741137 0.5000000 0.3258863), wk = 0.0043103 k( 76) = ( 0.6654080 0.5000000 0.3345920), wk = 0.0043103 k( 77) = ( 0.6567023 0.5000000 0.3432977), wk = 0.0043103 k( 78) = ( 0.6479966 0.5000000 0.3520034), wk = 0.0043103 k( 79) = ( 0.6392910 0.5000000 0.3607090), wk = 0.0043103 k( 80) = ( 0.6305853 0.5000000 0.3694147), wk = 0.0043103 k( 81) = ( 0.6218796 0.5000000 0.3781204), wk = 0.0043103 k( 82) = ( 0.6131739 0.5000000 0.3868261), wk = 0.0043103 k( 83) = ( 0.6044682 0.5000000 0.3955318), wk = 0.0043103 k( 84) = ( 0.5957625 0.5000000 0.4042375), wk = 0.0043103 k( 85) = ( 0.5870568 0.5000000 0.4129432), wk = 0.0043103 k( 86) = ( 0.5783512 0.5000000 0.4216488), wk = 0.0043103 k( 87) = ( 0.5696455 0.5000000 0.4303545), wk = 0.0043103 k( 88) = ( 0.5609398 0.5000000 0.4390602), wk = 0.0043103 k( 89) = ( 0.5522341 0.5000000 0.4477659), wk = 0.0043103 k( 90) = ( 0.5435284 0.5000000 0.4564716), wk = 0.0043103 k( 91) = ( 0.5348227 0.5000000 0.4651773), wk = 0.0043103 k( 92) = ( 0.5261170 0.5000000 0.4738830), wk = 0.0043103 k( 93) = ( 0.5174114 0.5000000 0.4825886), wk = 0.0043103 k( 94) = ( 0.5087057 0.5000000 0.4912943), wk = 0.0043103 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043103 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043103 k( 97) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0043103 k( 98) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0043103 k( 99) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0043103 k( 100) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0043103 k( 101) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0043103 k( 102) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0043103 k( 103) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043103 k( 104) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0043103 k( 105) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0043103 k( 106) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0043103 k( 107) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0043103 k( 108) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0043103 k( 109) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0043103 k( 110) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043103 k( 111) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0043103 k( 112) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0043103 k( 113) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0043103 k( 114) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0043103 k( 115) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0043103 k( 116) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0043103 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 119) = ( 0.0086913 0.0000000 -0.0086913), wk = 0.0043103 k( 120) = ( 0.0173825 0.0000000 -0.0173825), wk = 0.0043103 k( 121) = ( 0.0260738 0.0000000 -0.0260738), wk = 0.0043103 k( 122) = ( 0.0347650 -0.0000000 -0.0347650), wk = 0.0043103 k( 123) = ( 0.0434563 -0.0000000 -0.0434563), wk = 0.0043103 k( 124) = ( 0.0521476 0.0000000 -0.0521476), wk = 0.0043103 k( 125) = ( 0.0608388 -0.0000000 -0.0608388), wk = 0.0043103 k( 126) = ( 0.0695301 -0.0000000 -0.0695301), wk = 0.0043103 k( 127) = ( 0.0782214 0.0000000 -0.0782214), wk = 0.0043103 k( 128) = ( 0.0869126 -0.0000000 -0.0869126), wk = 0.0043103 k( 129) = ( 0.0956039 0.0000000 -0.0956039), wk = 0.0043103 k( 130) = ( 0.1042952 -0.0000000 -0.1042952), wk = 0.0043103 k( 131) = ( 0.1129864 0.0000000 -0.1129864), wk = 0.0043103 k( 132) = ( 0.1216777 -0.0000000 -0.1216777), wk = 0.0043103 k( 133) = ( 0.1303689 -0.0000000 -0.1303689), wk = 0.0043103 k( 134) = ( 0.1390602 -0.0000000 -0.1390602), wk = 0.0043103 k( 135) = ( 0.1477515 -0.0000000 -0.1477515), wk = 0.0043103 k( 136) = ( 0.1564427 -0.0000000 -0.1564427), wk = 0.0043103 k( 137) = ( 0.1651340 0.0000000 -0.1651340), wk = 0.0043103 k( 138) = ( 0.1738253 -0.0000000 -0.1738253), wk = 0.0043103 k( 139) = ( 0.1825165 -0.0000000 -0.1825165), wk = 0.0043103 k( 140) = ( 0.1912078 0.0000000 -0.1912078), wk = 0.0043103 k( 141) = ( 0.1998990 -0.0000000 -0.1998991), wk = 0.0043103 k( 142) = ( 0.2085903 0.0000000 -0.2085903), wk = 0.0043103 k( 143) = ( 0.2172816 -0.0000000 -0.2172816), wk = 0.0043103 k( 144) = ( 0.2259728 0.0000000 -0.2259728), wk = 0.0043103 k( 145) = ( 0.2346641 -0.0000000 -0.2346641), wk = 0.0043103 k( 146) = ( 0.2433554 -0.0000000 -0.2433554), wk = 0.0043103 k( 147) = ( 0.2520466 -0.0000000 -0.2520466), wk = 0.0043103 k( 148) = ( 0.2607379 0.0000000 -0.2607379), wk = 0.0043103 k( 149) = ( 0.2694292 0.0000000 -0.2694292), wk = 0.0043103 k( 150) = ( 0.2781204 -0.0000000 -0.2781204), wk = 0.0043103 k( 151) = ( 0.2868117 0.0000000 -0.2868117), wk = 0.0043103 k( 152) = ( 0.2955029 -0.0000000 -0.2955029), wk = 0.0043103 k( 153) = ( 0.3041942 0.0000000 -0.3041942), wk = 0.0043103 k( 154) = ( 0.3128855 -0.0000000 -0.3128855), wk = 0.0043103 k( 155) = ( 0.3215767 0.0000000 -0.3215767), wk = 0.0043103 k( 156) = ( 0.3302680 -0.0000000 -0.3302680), wk = 0.0043103 k( 157) = ( 0.3389592 0.0000000 -0.3389593), wk = 0.0043103 k( 158) = ( 0.3476505 -0.0000000 -0.3476505), wk = 0.0043103 k( 159) = ( 0.6523495 0.3476505 0.0000000), wk = 0.0043103 k( 160) = ( 0.6438856 0.3561144 0.0000000), wk = 0.0043103 k( 161) = ( 0.6354218 0.3645782 0.0000000), wk = 0.0043103 k( 162) = ( 0.6269579 0.3730421 0.0000000), wk = 0.0043103 k( 163) = ( 0.6184940 0.3815060 0.0000000), wk = 0.0043103 k( 164) = ( 0.6100302 0.3899698 0.0000000), wk = 0.0043103 k( 165) = ( 0.6015663 0.3984337 0.0000000), wk = 0.0043103 k( 166) = ( 0.5931025 0.4068975 0.0000000), wk = 0.0043103 k( 167) = ( 0.5846386 0.4153614 0.0000000), wk = 0.0043103 k( 168) = ( 0.5761747 0.4238253 0.0000000), wk = 0.0043103 k( 169) = ( 0.5677109 0.4322891 0.0000000), wk = 0.0043103 k( 170) = ( 0.5592470 0.4407530 0.0000000), wk = 0.0043103 k( 171) = ( 0.5507832 0.4492168 0.0000000), wk = 0.0043103 k( 172) = ( 0.5423193 0.4576807 0.0000000), wk = 0.0043103 k( 173) = ( 0.5338554 0.4661446 0.0000000), wk = 0.0043103 k( 174) = ( 0.5253916 0.4746084 0.0000000), wk = 0.0043103 k( 175) = ( 0.5169277 0.4830723 0.0000000), wk = 0.0043103 k( 176) = ( 0.5084639 0.4915361 0.0000000), wk = 0.0043103 k( 177) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043103 k( 178) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043103 k( 179) = ( 0.5190437 0.5190437 0.0244126), wk = 0.0043103 k( 180) = ( 0.5380874 0.5380874 0.0488253), wk = 0.0043103 k( 181) = ( 0.5571311 0.5571311 0.0732379), wk = 0.0043103 k( 182) = ( 0.5761747 0.5761747 0.0976505), wk = 0.0043103 k( 183) = ( 0.5952184 0.5952184 0.1220631), wk = 0.0043103 k( 184) = ( 0.6142621 0.6142621 0.1464758), wk = 0.0043103 k( 185) = ( 0.6333058 0.6333058 0.1708884), wk = 0.0043103 k( 186) = ( 0.6523495 0.6523495 0.1953010), wk = 0.0043103 k( 187) = ( 0.6523495 0.6523495 0.1953010), wk = 0.0043103 k( 188) = ( 0.6472712 0.6472712 0.2054577), wk = 0.0043103 k( 189) = ( 0.6421929 0.6421929 0.2156143), wk = 0.0043103 k( 190) = ( 0.6371145 0.6371145 0.2257709), wk = 0.0043103 k( 191) = ( 0.6320362 0.6320362 0.2359276), wk = 0.0043103 k( 192) = ( 0.6269579 0.6269579 0.2460842), wk = 0.0043103 k( 193) = ( 0.6218796 0.6218796 0.2562408), wk = 0.0043103 k( 194) = ( 0.6168013 0.6168013 0.2663975), wk = 0.0043103 k( 195) = ( 0.6117230 0.6117230 0.2765541), wk = 0.0043103 k( 196) = ( 0.6066446 0.6066446 0.2867107), wk = 0.0043103 k( 197) = ( 0.6015663 0.6015663 0.2968674), wk = 0.0043103 k( 198) = ( 0.5964880 0.5964880 0.3070240), wk = 0.0043103 k( 199) = ( 0.5914097 0.5914097 0.3171806), wk = 0.0043103 k( 200) = ( 0.5863314 0.5863314 0.3273373), wk = 0.0043103 k( 201) = ( 0.5812531 0.5812531 0.3374939), wk = 0.0043103 k( 202) = ( 0.5761747 0.5761747 0.3476505), wk = 0.0043103 k( 203) = ( 0.5710964 0.5710964 0.3578072), wk = 0.0043103 k( 204) = ( 0.5660181 0.5660181 0.3679638), wk = 0.0043103 k( 205) = ( 0.5609398 0.5609398 0.3781204), wk = 0.0043103 k( 206) = ( 0.5558615 0.5558615 0.3882770), wk = 0.0043103 k( 207) = ( 0.5507832 0.5507832 0.3984337), wk = 0.0043103 k( 208) = ( 0.5457049 0.5457049 0.4085903), wk = 0.0043103 k( 209) = ( 0.5406265 0.5406265 0.4187469), wk = 0.0043103 k( 210) = ( 0.5355482 0.5355482 0.4289036), wk = 0.0043103 k( 211) = ( 0.5304699 0.5304699 0.4390602), wk = 0.0043103 k( 212) = ( 0.5253916 0.5253916 0.4492168), wk = 0.0043103 k( 213) = ( 0.5203133 0.5203133 0.4593735), wk = 0.0043103 k( 214) = ( 0.5152349 0.5152350 0.4695301), wk = 0.0043103 k( 215) = ( 0.5101566 0.5101566 0.4796867), wk = 0.0043103 k( 216) = ( 0.5050783 0.5050783 0.4898434), wk = 0.0043103 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043103 k( 218) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0043103 k( 219) = ( 0.5217642 0.0248322 0.0248322), wk = 0.0043103 k( 220) = ( 0.5435284 0.0496644 0.0496644), wk = 0.0043103 k( 221) = ( 0.5652926 0.0744965 0.0744965), wk = 0.0043103 k( 222) = ( 0.5870568 0.0993287 0.0993287), wk = 0.0043103 k( 223) = ( 0.6088211 0.1241609 0.1241609), wk = 0.0043103 k( 224) = ( 0.6305853 0.1489931 0.1489931), wk = 0.0043103 k( 225) = ( 0.6523495 0.1738253 0.1738253), wk = 0.0043103 k( 226) = ( 0.6741137 0.1986574 0.1986574), wk = 0.0043103 k( 227) = ( 0.6958779 0.2234896 0.2234896), wk = 0.0043103 k( 228) = ( 0.7176421 0.2483218 0.2483218), wk = 0.0043103 k( 229) = ( 0.7394063 0.2731540 0.2731540), wk = 0.0043103 k( 230) = ( 0.7611706 0.2979862 0.2979862), wk = 0.0043103 k( 231) = ( 0.7829348 0.3228183 0.3228183), wk = 0.0043103 k( 232) = ( 0.8046990 0.3476505 0.3476505), wk = 0.0043103 Dense grid: 72109 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 60213 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 216, 36) NL pseudopotentials 0.11 Mb ( 108, 68) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.01 Mb ( 1002) G-vector shells 0.01 Mb ( 894) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 216, 144) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.07 Mb ( 68, 2, 36) The potential is recalculated from file : ./Pb.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.5 secs Computing kpt #: 7 total cpu time spent up to now is 8.5 secs Computing kpt #: 8 total cpu time spent up to now is 9.4 secs Computing kpt #: 9 total cpu time spent up to now is 10.6 secs Computing kpt #: 10 total cpu time spent up to now is 11.5 secs Computing kpt #: 11 total cpu time spent up to now is 12.5 secs Computing kpt #: 12 total cpu time spent up to now is 13.7 secs Computing kpt #: 13 total cpu time spent up to now is 14.8 secs Computing kpt #: 14 total cpu time spent up to now is 15.8 secs Computing kpt #: 15 total cpu time spent up to now is 16.9 secs Computing kpt #: 16 total cpu time spent up to now is 17.8 secs Computing kpt #: 17 total cpu time spent up to now is 18.8 secs Computing kpt #: 18 total cpu time spent up to now is 19.7 secs Computing kpt #: 19 total cpu time spent up to now is 20.8 secs Computing kpt #: 20 total cpu time spent up to now is 21.7 secs Computing kpt #: 21 total cpu time spent up to now is 22.6 secs Computing kpt #: 22 total cpu time spent up to now is 23.4 secs Computing kpt #: 23 total cpu time spent up to now is 24.1 secs Computing kpt #: 24 total cpu time spent up to now is 24.8 secs Computing kpt #: 25 total cpu time spent up to now is 25.6 secs Computing kpt #: 26 total cpu time spent up to now is 26.4 secs Computing kpt #: 27 total cpu time spent up to now is 27.2 secs Computing kpt #: 28 total cpu time spent up to now is 27.9 secs Computing kpt #: 29 total cpu time spent up to now is 28.5 secs Computing kpt #: 30 total cpu time spent up to now is 29.4 secs Computing kpt #: 31 total cpu time spent up to now is 30.0 secs Computing kpt #: 32 total cpu time spent up to now is 30.8 secs Computing kpt #: 33 total cpu time spent up to now is 31.5 secs Computing kpt #: 34 total cpu time spent up to now is 32.6 secs Computing kpt #: 35 total cpu time spent up to now is 33.3 secs Computing kpt #: 36 total cpu time spent up to now is 34.0 secs Computing kpt #: 37 total cpu time spent up to now is 34.8 secs Computing kpt #: 38 total cpu time spent up to now is 35.6 secs Computing kpt #: 39 total cpu time spent up to now is 36.3 secs Computing kpt #: 40 total cpu time spent up to now is 37.0 secs Computing kpt #: 41 total cpu time spent up to now is 37.8 secs Computing kpt #: 42 total cpu time spent up to now is 38.5 secs Computing kpt #: 43 total cpu time spent up to now is 39.3 secs Computing kpt #: 44 total cpu time spent up to now is 40.0 secs Computing kpt #: 45 total cpu time spent up to now is 40.7 secs Computing kpt #: 46 total cpu time spent up to now is 41.5 secs Computing kpt #: 47 total cpu time spent up to now is 42.1 secs Computing kpt #: 48 total cpu time spent up to now is 42.9 secs Computing kpt #: 49 total cpu time spent up to now is 43.5 secs Computing kpt #: 50 total cpu time spent up to now is 44.2 secs Computing kpt #: 51 total cpu time spent up to now is 45.0 secs Computing kpt #: 52 total cpu time spent up to now is 45.6 secs Computing kpt #: 53 total cpu time spent up to now is 46.3 secs Computing kpt #: 54 total cpu time spent up to now is 47.0 secs Computing kpt #: 55 total cpu time spent up to now is 47.8 secs Computing kpt #: 56 total cpu time spent up to now is 48.4 secs Computing kpt #: 57 total cpu time spent up to now is 49.0 secs Computing kpt #: 58 total cpu time spent up to now is 49.7 secs Computing kpt #: 59 total cpu time spent up to now is 50.3 secs Computing kpt #: 60 total cpu time spent up to now is 51.0 secs Computing kpt #: 61 total cpu time spent up to now is 51.7 secs Computing kpt #: 62 total cpu time spent up to now is 52.3 secs Computing kpt #: 63 total cpu time spent up to now is 52.9 secs Computing kpt #: 64 total cpu time spent up to now is 53.6 secs Computing kpt #: 65 total cpu time spent up to now is 54.2 secs Computing kpt #: 66 total cpu time spent up to now is 54.9 secs Computing kpt #: 67 total cpu time spent up to now is 55.5 secs Computing kpt #: 68 total cpu time spent up to now is 56.1 secs Computing kpt #: 69 total cpu time spent up to now is 56.9 secs Computing kpt #: 70 total cpu time spent up to now is 57.5 secs Computing kpt #: 71 total cpu time spent up to now is 58.1 secs Computing kpt #: 72 total cpu time spent up to now is 58.8 secs Computing kpt #: 73 total cpu time spent up to now is 59.5 secs Computing kpt #: 74 total cpu time spent up to now is 60.1 secs Computing kpt #: 75 total cpu time spent up to now is 60.7 secs Computing kpt #: 76 total cpu time spent up to now is 61.4 secs Computing kpt #: 77 total cpu time spent up to now is 62.2 secs Computing kpt #: 78 total cpu time spent up to now is 63.1 secs Computing kpt #: 79 total cpu time spent up to now is 63.7 secs Computing kpt #: 80 total cpu time spent up to now is 64.4 secs Computing kpt #: 81 total cpu time spent up to now is 65.2 secs Computing kpt #: 82 total cpu time spent up to now is 65.8 secs Computing kpt #: 83 total cpu time spent up to now is 66.5 secs Computing kpt #: 84 total cpu time spent up to now is 67.4 secs Computing kpt #: 85 total cpu time spent up to now is 68.0 secs Computing kpt #: 86 total cpu time spent up to now is 68.8 secs Computing kpt #: 87 total cpu time spent up to now is 69.5 secs Computing kpt #: 88 total cpu time spent up to now is 70.3 secs Computing kpt #: 89 total cpu time spent up to now is 71.1 secs Computing kpt #: 90 total cpu time spent up to now is 71.8 secs Computing kpt #: 91 total cpu time spent up to now is 72.6 secs Computing kpt #: 92 total cpu time spent up to now is 73.3 secs Computing kpt #: 93 total cpu time spent up to now is 74.0 secs Computing kpt #: 94 total cpu time spent up to now is 74.6 secs Computing kpt #: 95 total cpu time spent up to now is 75.3 secs Computing kpt #: 96 total cpu time spent up to now is 76.1 secs Computing kpt #: 97 total cpu time spent up to now is 76.8 secs Computing kpt #: 98 total cpu time spent up to now is 77.5 secs Computing kpt #: 99 total cpu time spent up to now is 78.1 secs Computing kpt #: 100 total cpu time spent up to now is 78.9 secs Computing kpt #: 101 total cpu time spent up to now is 79.6 secs Computing kpt #: 102 total cpu time spent up to now is 80.3 secs Computing kpt #: 103 total cpu time spent up to now is 81.0 secs Computing kpt #: 104 total cpu time spent up to now is 81.7 secs Computing kpt #: 105 total cpu time spent up to now is 82.5 secs Computing kpt #: 106 total cpu time spent up to now is 83.3 secs Computing kpt #: 107 total cpu time spent up to now is 84.2 secs Computing kpt #: 108 total cpu time spent up to now is 85.0 secs Computing kpt #: 109 total cpu time spent up to now is 85.7 secs Computing kpt #: 110 total cpu time spent up to now is 86.5 secs Computing kpt #: 111 total cpu time spent up to now is 87.4 secs Computing kpt #: 112 total cpu time spent up to now is 88.3 secs Computing kpt #: 113 total cpu time spent up to now is 89.2 secs Computing kpt #: 114 total cpu time spent up to now is 90.2 secs Computing kpt #: 115 total cpu time spent up to now is 91.2 secs Computing kpt #: 116 total cpu time spent up to now is 92.1 secs Computing kpt #: 117 total cpu time spent up to now is 93.5 secs Computing kpt #: 118 total cpu time spent up to now is 94.4 secs Computing kpt #: 119 total cpu time spent up to now is 95.4 secs Computing kpt #: 120 total cpu time spent up to now is 96.4 secs Computing kpt #: 121 total cpu time spent up to now is 97.4 secs Computing kpt #: 122 total cpu time spent up to now is 98.5 secs Computing kpt #: 123 total cpu time spent up to now is 99.5 secs Computing kpt #: 124 total cpu time spent up to now is 100.5 secs Computing kpt #: 125 total cpu time spent up to now is 101.7 secs Computing kpt #: 126 total cpu time spent up to now is 102.7 secs Computing kpt #: 127 total cpu time spent up to now is 103.8 secs Computing kpt #: 128 total cpu time spent up to now is 104.7 secs Computing kpt #: 129 total cpu time spent up to now is 105.8 secs Computing kpt #: 130 total cpu time spent up to now is 106.9 secs Computing kpt #: 131 total cpu time spent up to now is 107.8 secs Computing kpt #: 132 total cpu time spent up to now is 108.8 secs Computing kpt #: 133 total cpu time spent up to now is 109.7 secs Computing kpt #: 134 total cpu time spent up to now is 110.7 secs Computing kpt #: 135 total cpu time spent up to now is 111.6 secs Computing kpt #: 136 total cpu time spent up to now is 112.5 secs Computing kpt #: 137 total cpu time spent up to now is 113.4 secs Computing kpt #: 138 total cpu time spent up to now is 114.3 secs Computing kpt #: 139 total cpu time spent up to now is 114.9 secs Computing kpt #: 140 total cpu time spent up to now is 115.8 secs Computing kpt #: 141 total cpu time spent up to now is 116.5 secs Computing kpt #: 142 total cpu time spent up to now is 117.3 secs Computing kpt #: 143 total cpu time spent up to now is 118.1 secs Computing kpt #: 144 total cpu time spent up to now is 119.0 secs Computing kpt #: 145 total cpu time spent up to now is 119.7 secs Computing kpt #: 146 total cpu time spent up to now is 120.4 secs Computing kpt #: 147 total cpu time spent up to now is 121.1 secs Computing kpt #: 148 total cpu time spent up to now is 121.7 secs Computing kpt #: 149 total cpu time spent up to now is 122.5 secs Computing kpt #: 150 total cpu time spent up to now is 123.1 secs Computing kpt #: 151 total cpu time spent up to now is 123.7 secs Computing kpt #: 152 total cpu time spent up to now is 124.6 secs Computing kpt #: 153 total cpu time spent up to now is 125.1 secs Computing kpt #: 154 total cpu time spent up to now is 125.9 secs Computing kpt #: 155 total cpu time spent up to now is 126.7 secs Computing kpt #: 156 total cpu time spent up to now is 127.3 secs Computing kpt #: 157 total cpu time spent up to now is 128.0 secs Computing kpt #: 158 total cpu time spent up to now is 128.8 secs Computing kpt #: 159 total cpu time spent up to now is 129.6 secs Computing kpt #: 160 total cpu time spent up to now is 130.2 secs Computing kpt #: 161 total cpu time spent up to now is 130.9 secs Computing kpt #: 162 total cpu time spent up to now is 131.6 secs Computing kpt #: 163 total cpu time spent up to now is 132.2 secs Computing kpt #: 164 total cpu time spent up to now is 132.9 secs Computing kpt #: 165 total cpu time spent up to now is 133.6 secs Computing kpt #: 166 total cpu time spent up to now is 134.2 secs Computing kpt #: 167 total cpu time spent up to now is 134.9 secs Computing kpt #: 168 total cpu time spent up to now is 135.6 secs Computing kpt #: 169 total cpu time spent up to now is 136.3 secs Computing kpt #: 170 total cpu time spent up to now is 137.0 secs Computing kpt #: 171 total cpu time spent up to now is 137.7 secs Computing kpt #: 172 total cpu time spent up to now is 138.4 secs Computing kpt #: 173 total cpu time spent up to now is 139.0 secs Computing kpt #: 174 total cpu time spent up to now is 139.7 secs Computing kpt #: 175 total cpu time spent up to now is 140.4 secs Computing kpt #: 176 total cpu time spent up to now is 141.0 secs Computing kpt #: 177 total cpu time spent up to now is 141.7 secs Computing kpt #: 178 total cpu time spent up to now is 142.4 secs Computing kpt #: 179 total cpu time spent up to now is 143.0 secs Computing kpt #: 180 total cpu time spent up to now is 143.8 secs Computing kpt #: 181 total cpu time spent up to now is 144.4 secs Computing kpt #: 182 total cpu time spent up to now is 145.2 secs Computing kpt #: 183 total cpu time spent up to now is 145.9 secs Computing kpt #: 184 total cpu time spent up to now is 146.7 secs Computing kpt #: 185 total cpu time spent up to now is 147.4 secs Computing kpt #: 186 total cpu time spent up to now is 148.1 secs Computing kpt #: 187 total cpu time spent up to now is 149.0 secs Computing kpt #: 188 total cpu time spent up to now is 149.6 secs Computing kpt #: 189 total cpu time spent up to now is 150.4 secs Computing kpt #: 190 total cpu time spent up to now is 151.0 secs Computing kpt #: 191 total cpu time spent up to now is 151.7 secs Computing kpt #: 192 total cpu time spent up to now is 152.5 secs Computing kpt #: 193 total cpu time spent up to now is 153.1 secs Computing kpt #: 194 total cpu time spent up to now is 153.8 secs Computing kpt #: 195 total cpu time spent up to now is 154.5 secs Computing kpt #: 196 total cpu time spent up to now is 155.2 secs Computing kpt #: 197 total cpu time spent up to now is 156.0 secs Computing kpt #: 198 total cpu time spent up to now is 156.5 secs Computing kpt #: 199 total cpu time spent up to now is 157.2 secs Computing kpt #: 200 total cpu time spent up to now is 158.0 secs Computing kpt #: 201 total cpu time spent up to now is 158.7 secs Computing kpt #: 202 total cpu time spent up to now is 159.4 secs Computing kpt #: 203 total cpu time spent up to now is 160.0 secs Computing kpt #: 204 total cpu time spent up to now is 160.8 secs Computing kpt #: 205 total cpu time spent up to now is 161.5 secs Computing kpt #: 206 total cpu time spent up to now is 162.2 secs Computing kpt #: 207 total cpu time spent up to now is 163.0 secs Computing kpt #: 208 total cpu time spent up to now is 163.7 secs Computing kpt #: 209 total cpu time spent up to now is 164.5 secs Computing kpt #: 210 total cpu time spent up to now is 165.3 secs Computing kpt #: 211 total cpu time spent up to now is 166.0 secs Computing kpt #: 212 total cpu time spent up to now is 166.7 secs Computing kpt #: 213 total cpu time spent up to now is 167.5 secs Computing kpt #: 214 total cpu time spent up to now is 168.3 secs Computing kpt #: 215 total cpu time spent up to now is 169.0 secs Computing kpt #: 216 total cpu time spent up to now is 169.8 secs Computing kpt #: 217 total cpu time spent up to now is 170.4 secs Computing kpt #: 218 total cpu time spent up to now is 171.1 secs Computing kpt #: 219 total cpu time spent up to now is 171.9 secs Computing kpt #: 220 total cpu time spent up to now is 172.6 secs Computing kpt #: 221 total cpu time spent up to now is 173.4 secs Computing kpt #: 222 total cpu time spent up to now is 174.0 secs Computing kpt #: 223 total cpu time spent up to now is 174.8 secs Computing kpt #: 224 total cpu time spent up to now is 175.5 secs Computing kpt #: 225 total cpu time spent up to now is 176.2 secs Computing kpt #: 226 total cpu time spent up to now is 176.9 secs Computing kpt #: 227 total cpu time spent up to now is 177.5 secs Computing kpt #: 228 total cpu time spent up to now is 178.3 secs Computing kpt #: 229 total cpu time spent up to now is 178.9 secs Computing kpt #: 230 total cpu time spent up to now is 179.9 secs Computing kpt #: 231 total cpu time spent up to now is 180.6 secs Computing kpt #: 232 total cpu time spent up to now is 181.3 secs ethr = 3.57E-08, avg # of iterations = 15.9 total cpu time spent up to now is 181.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7537 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6810 -7.6810 -6.4161 -6.4161 -0.4778 -0.4778 0.7117 0.7117 2.0146 2.0146 2.0360 2.0360 3.0922 3.0922 3.5440 3.5440 k = 0.0147-0.0183-0.0115 ( 7550 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6807 -7.6807 -6.4160 -6.4160 -0.4772 -0.4772 0.7095 0.7095 2.0105 2.0105 2.0337 2.0337 3.0889 3.0889 3.5511 3.5511 k = 0.0294-0.0367-0.0229 ( 7556 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6800 -7.6800 -6.4156 -6.4156 -0.4754 -0.4754 0.7031 0.7031 1.9979 1.9979 2.0277 2.0277 3.0792 3.0792 3.5719 3.5719 k = 0.0441-0.0550-0.0344 ( 7554 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6788 -7.6788 -6.4150 -6.4150 -0.4725 -0.4725 0.6925 0.6925 1.9768 1.9768 2.0189 2.0189 3.0635 3.0635 3.6054 3.6054 k = 0.0588-0.0733-0.0458 ( 7556 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6772 -7.6772 -6.4142 -6.4142 -0.4684 -0.4684 0.6776 0.6776 1.9484 1.9484 2.0075 2.0075 3.0425 3.0425 3.6498 3.6498 k = 0.0735-0.0917-0.0573 ( 7556 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9061 -14.9061 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6751 -7.6751 -6.4131 -6.4131 -0.4632 -0.4632 0.6588 0.6588 1.9145 1.9145 1.9935 1.9935 3.0167 3.0167 3.7030 3.7030 k = 0.0882-0.1100-0.0688 ( 7558 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9061 -14.9061 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7229 -14.7229 -7.6726 -7.6726 -6.4119 -6.4119 -0.4569 -0.4569 0.6361 0.6361 1.8767 1.8767 1.9770 1.9770 2.9872 2.9872 3.7629 3.7629 k = 0.1029-0.1283-0.0802 ( 7560 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9061 -14.9061 -14.8946 -14.8946 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7229 -14.7229 -7.6697 -7.6697 -6.4104 -6.4104 -0.4497 -0.4497 0.6096 0.6096 1.8364 1.8364 1.9580 1.9580 2.9548 2.9548 3.8271 3.8271 k = 0.1176-0.1467-0.0917 ( 7561 PWs) bands (ev): -17.4553 -17.4553 -17.4482 -17.4482 -17.3812 -17.3812 -17.3439 -17.3439 -14.9061 -14.9061 -14.8946 -14.8946 -14.8554 -14.8554 -14.8443 -14.8443 -14.7768 -14.7768 -14.7229 -14.7229 -7.6663 -7.6663 -6.4087 -6.4087 -0.4415 -0.4415 0.5797 0.5797 1.7950 1.7950 1.9369 1.9369 2.9204 2.9204 3.8929 3.8929 k = 0.1324-0.1650-0.1031 ( 7564 PWs) bands (ev): -17.4552 -17.4552 -17.4482 -17.4482 -17.3812 -17.3812 -17.3439 -17.3439 -14.9060 -14.9060 -14.8946 -14.8946 -14.8555 -14.8555 -14.8443 -14.8443 -14.7767 -14.7767 -14.7229 -14.7229 -7.6626 -7.6626 -6.4069 -6.4069 -0.4324 -0.4324 0.5466 0.5466 1.7532 1.7532 1.9137 1.9137 2.8845 2.8845 3.9578 3.9578 k = 0.1471-0.1833-0.1146 ( 7555 PWs) bands (ev): -17.4552 -17.4552 -17.4482 -17.4482 -17.3812 -17.3812 -17.3439 -17.3439 -14.9060 -14.9060 -14.8945 -14.8945 -14.8555 -14.8555 -14.8443 -14.8443 -14.7767 -14.7767 -14.7229 -14.7229 -7.6586 -7.6586 -6.4048 -6.4048 -0.4225 -0.4225 0.5107 0.5107 1.7119 1.7119 1.8888 1.8888 2.8480 2.8480 4.0188 4.0188 k = 0.1618-0.2017-0.1260 ( 7552 PWs) bands (ev): -17.4552 -17.4552 -17.4482 -17.4482 -17.3812 -17.3812 -17.3439 -17.3439 -14.9059 -14.9059 -14.8945 -14.8945 -14.8555 -14.8555 -14.8443 -14.8443 -14.7767 -14.7767 -14.7229 -14.7229 -7.6543 -7.6543 -6.4027 -6.4027 -0.4120 -0.4120 0.4724 0.4724 1.6717 1.6717 1.8625 1.8625 2.8114 2.8114 4.0729 4.0729 k = 0.1765-0.2200-0.1375 ( 7549 PWs) bands (ev): -17.4552 -17.4552 -17.4482 -17.4482 -17.3812 -17.3812 -17.3439 -17.3439 -14.9059 -14.9059 -14.8945 -14.8945 -14.8555 -14.8555 -14.8443 -14.8443 -14.7767 -14.7767 -14.7228 -14.7228 -7.6497 -7.6497 -6.4004 -6.4004 -0.4008 -0.4008 0.4320 0.4320 1.6329 1.6329 1.8351 1.8351 2.7751 2.7751 4.1171 4.1171 k = 0.1912-0.2383-0.1490 ( 7541 PWs) bands (ev): -17.4552 -17.4552 -17.4481 -17.4481 -17.3812 -17.3812 -17.3439 -17.3439 -14.9059 -14.9059 -14.8944 -14.8944 -14.8555 -14.8555 -14.8442 -14.8442 -14.7767 -14.7767 -14.7228 -14.7228 -7.6448 -7.6448 -6.3980 -6.3980 -0.3892 -0.3892 0.3899 0.3899 1.5957 1.5957 1.8069 1.8069 2.7396 2.7396 4.1495 4.1495 k = 0.2059-0.2567-0.1604 ( 7532 PWs) bands (ev): -17.4552 -17.4552 -17.4481 -17.4481 -17.3812 -17.3812 -17.3439 -17.3439 -14.9058 -14.9058 -14.8944 -14.8944 -14.8556 -14.8556 -14.8442 -14.8442 -14.7767 -14.7767 -14.7228 -14.7228 -7.6398 -7.6398 -6.3955 -6.3955 -0.3772 -0.3772 0.3467 0.3467 1.5604 1.5604 1.7782 1.7782 2.7050 2.7050 4.1694 4.1694 k = 0.2206-0.2750-0.1719 ( 7529 PWs) bands (ev): -17.4552 -17.4552 -17.4481 -17.4481 -17.3811 -17.3811 -17.3439 -17.3439 -14.9057 -14.9057 -14.8943 -14.8943 -14.8556 -14.8556 -14.8442 -14.8442 -14.7767 -14.7767 -14.7228 -14.7228 -7.6346 -7.6346 -6.3929 -6.3929 -0.3650 -0.3650 0.3028 0.3028 1.5270 1.5270 1.7494 1.7494 2.6718 2.6718 4.1777 4.1777 k = 0.2353-0.2934-0.1833 ( 7536 PWs) bands (ev): -17.4551 -17.4551 -17.4481 -17.4481 -17.3811 -17.3811 -17.3439 -17.3439 -14.9057 -14.9057 -14.8943 -14.8943 -14.8556 -14.8556 -14.8442 -14.8442 -14.7767 -14.7767 -14.7228 -14.7228 -7.6293 -7.6293 -6.3903 -6.3903 -0.3527 -0.3527 0.2587 0.2587 1.4956 1.4956 1.7209 1.7209 2.6399 2.6399 4.1762 4.1762 k = 0.2500-0.3117-0.1948 ( 7528 PWs) bands (ev): -17.4551 -17.4551 -17.4481 -17.4481 -17.3811 -17.3811 -17.3439 -17.3439 -14.9056 -14.9056 -14.8942 -14.8942 -14.8556 -14.8556 -14.8441 -14.8441 -14.7767 -14.7767 -14.7227 -14.7227 -7.6239 -7.6239 -6.3876 -6.3876 -0.3403 -0.3403 0.2146 0.2146 1.4661 1.4661 1.6928 1.6928 2.6097 2.6097 4.1670 4.1670 k = 0.2647-0.3300-0.2063 ( 7530 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3811 -17.3811 -17.3439 -17.3439 -14.9056 -14.9056 -14.8942 -14.8942 -14.8556 -14.8556 -14.8441 -14.8441 -14.7767 -14.7767 -14.7227 -14.7227 -7.6185 -7.6185 -6.3850 -6.3850 -0.3281 -0.3281 0.1711 0.1711 1.4386 1.4386 1.6656 1.6656 2.5811 2.5811 4.1518 4.1518 k = 0.2794-0.3484-0.2177 ( 7526 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3811 -17.3811 -17.3439 -17.3439 -14.9055 -14.9055 -14.8942 -14.8942 -14.8557 -14.8557 -14.8441 -14.8441 -14.7767 -14.7767 -14.7227 -14.7227 -7.6132 -7.6132 -6.3824 -6.3824 -0.3162 -0.3162 0.1286 0.1286 1.4129 1.4129 1.6393 1.6393 2.5542 2.5542 4.1322 4.1322 k = 0.2941-0.3667-0.2292 ( 7521 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3811 -17.3811 -17.3439 -17.3439 -14.9055 -14.9055 -14.8941 -14.8941 -14.8557 -14.8557 -14.8441 -14.8441 -14.7766 -14.7766 -14.7227 -14.7227 -7.6079 -7.6079 -6.3798 -6.3798 -0.3047 -0.3047 0.0874 0.0874 1.3892 1.3892 1.6143 1.6143 2.5292 2.5292 4.1094 4.1094 k = 0.3088-0.3850-0.2406 ( 7517 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3811 -17.3811 -17.3439 -17.3439 -14.9055 -14.9055 -14.8941 -14.8941 -14.8557 -14.8557 -14.8440 -14.8440 -14.7766 -14.7766 -14.7226 -14.7226 -7.6027 -7.6027 -6.3772 -6.3772 -0.2936 -0.2936 0.0478 0.0478 1.3673 1.3673 1.5908 1.5908 2.5060 2.5060 4.0843 4.0843 k = 0.3235-0.4034-0.2521 ( 7528 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3811 -17.3811 -17.3440 -17.3440 -14.9054 -14.9054 -14.8940 -14.8940 -14.8557 -14.8557 -14.8440 -14.8440 -14.7766 -14.7766 -14.7226 -14.7226 -7.5977 -7.5977 -6.3748 -6.3748 -0.2833 -0.2833 0.0101 0.0101 1.3473 1.3473 1.5689 1.5689 2.4847 2.4847 4.0578 4.0578 k = 0.3382-0.4217-0.2636 ( 7525 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3811 -17.3811 -17.3440 -17.3440 -14.9054 -14.9054 -14.8940 -14.8940 -14.8558 -14.8558 -14.8440 -14.8440 -14.7766 -14.7766 -14.7226 -14.7226 -7.5929 -7.5929 -6.3725 -6.3725 -0.2736 -0.2736 -0.0253 -0.0253 1.3289 1.3289 1.5487 1.5487 2.4652 2.4652 4.0305 4.0305 k = 0.3529-0.4400-0.2750 ( 7521 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3811 -17.3811 -17.3440 -17.3440 -14.9053 -14.9053 -14.8939 -14.8939 -14.8558 -14.8558 -14.8440 -14.8440 -14.7766 -14.7766 -14.7226 -14.7226 -7.5883 -7.5883 -6.3703 -6.3703 -0.2649 -0.2649 -0.0581 -0.0581 1.3123 1.3123 1.5302 1.5302 2.4476 2.4476 4.0033 4.0033 k = 0.3676-0.4584-0.2865 ( 7525 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3810 -17.3810 -17.3440 -17.3440 -14.9053 -14.9053 -14.8939 -14.8939 -14.8558 -14.8558 -14.8440 -14.8440 -14.7766 -14.7766 -14.7226 -14.7226 -7.5840 -7.5840 -6.3682 -6.3682 -0.2572 -0.2572 -0.0882 -0.0882 1.2974 1.2974 1.5137 1.5137 2.4319 2.4319 3.9765 3.9765 k = 0.3824-0.4767-0.2979 ( 7525 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3810 -17.3810 -17.3440 -17.3440 -14.9052 -14.9052 -14.8939 -14.8939 -14.8558 -14.8558 -14.8439 -14.8439 -14.7766 -14.7766 -14.7226 -14.7226 -7.5801 -7.5801 -6.3663 -6.3663 -0.2507 -0.2507 -0.1151 -0.1151 1.2842 1.2842 1.4990 1.4990 2.4179 2.4179 3.9509 3.9509 k = 0.3971-0.4950-0.3094 ( 7516 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3810 -17.3810 -17.3440 -17.3440 -14.9052 -14.9052 -14.8939 -14.8939 -14.8558 -14.8558 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5765 -7.5765 -6.3646 -6.3646 -0.2456 -0.2456 -0.1385 -0.1385 1.2726 1.2726 1.4861 1.4861 2.4058 2.4058 3.9269 3.9269 k = 0.4118-0.5134-0.3208 ( 7518 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3810 -17.3810 -17.3440 -17.3440 -14.9052 -14.9052 -14.8938 -14.8938 -14.8558 -14.8558 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5734 -7.5734 -6.3631 -6.3631 -0.2423 -0.2423 -0.1580 -0.1580 1.2626 1.2626 1.4752 1.4752 2.3954 2.3954 3.9050 3.9050 k = 0.4265-0.5317-0.3323 ( 7523 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9052 -14.9052 -14.8938 -14.8938 -14.8558 -14.8558 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5706 -7.5706 -6.3618 -6.3618 -0.2411 -0.2411 -0.1731 -0.1731 1.2542 1.2542 1.4660 1.4660 2.3867 2.3867 3.8857 3.8857 k = 0.4412-0.5500-0.3438 ( 7521 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5684 -7.5684 -6.3607 -6.3607 -0.2422 -0.2422 -0.1835 -0.1835 1.2473 1.2473 1.4586 1.4586 2.3797 2.3797 3.8694 3.8694 k = 0.4559-0.5684-0.3552 ( 7525 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5666 -7.5666 -6.3598 -6.3598 -0.2450 -0.2450 -0.1897 -0.1897 1.2420 1.2420 1.4529 1.4529 2.3742 2.3742 3.8563 3.8563 k = 0.4706-0.5867-0.3667 ( 7527 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5653 -7.5653 -6.3592 -6.3592 -0.2484 -0.2484 -0.1928 -0.1928 1.2382 1.2382 1.4488 1.4488 2.3704 2.3704 3.8467 3.8467 k = 0.4853-0.6050-0.3781 ( 7535 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5645 -7.5645 -6.3588 -6.3588 -0.2509 -0.2509 -0.1942 -0.1942 1.2359 1.2359 1.4464 1.4464 2.3681 2.3681 3.8409 3.8409 k = 0.5000-0.6234-0.3896 ( 7526 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5642 -7.5642 -6.3587 -6.3587 -0.2519 -0.2519 -0.1945 -0.1945 1.2351 1.2351 1.4456 1.4456 2.3673 2.3673 3.8389 3.8389 k = 0.5000-0.6234-0.3896 ( 7526 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5642 -7.5642 -6.3587 -6.3587 -0.2519 -0.2519 -0.1945 -0.1945 1.2351 1.2351 1.4456 1.4456 2.3673 2.3673 3.8389 3.8389 k = 0.5000-0.6098-0.4113 ( 7522 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5642 -7.5642 -6.3587 -6.3587 -0.2514 -0.2514 -0.1942 -0.1942 1.2318 1.2318 1.4464 1.4464 2.3644 2.3644 3.8382 3.8382 k = 0.5000-0.5962-0.4330 ( 7516 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5639 -7.5639 -6.3586 -6.3586 -0.2499 -0.2499 -0.1931 -0.1931 1.2218 1.2218 1.4485 1.4485 2.3555 2.3555 3.8362 3.8362 k = 0.5000-0.5827-0.4547 ( 7524 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5634 -7.5634 -6.3585 -6.3585 -0.2475 -0.2475 -0.1912 -0.1912 1.2057 1.2057 1.4518 1.4518 2.3412 2.3412 3.8329 3.8329 k = 0.5000-0.5691-0.4765 ( 7524 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8937 -14.8937 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5628 -7.5628 -6.3584 -6.3584 -0.2443 -0.2443 -0.1886 -0.1886 1.1842 1.1842 1.4562 1.4562 2.3220 2.3220 3.8288 3.8288 k = 0.5000-0.5555-0.4982 ( 7520 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8937 -14.8937 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5620 -7.5620 -6.3582 -6.3582 -0.2404 -0.2404 -0.1852 -0.1852 1.1579 1.1579 1.4614 1.4614 2.2984 2.2984 3.8241 3.8241 k = 0.5000-0.5419-0.5199 ( 7526 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8937 -14.8937 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5610 -7.5610 -6.3581 -6.3581 -0.2358 -0.2358 -0.1809 -0.1809 1.1279 1.1279 1.4673 1.4673 2.2715 2.2715 3.8189 3.8189 k = 0.5000-0.5284-0.5416 ( 7516 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8937 -14.8937 -14.8559 -14.8559 -14.8438 -14.8438 -14.7766 -14.7766 -14.7225 -14.7225 -7.5599 -7.5599 -6.3579 -6.3579 -0.2307 -0.2307 -0.1758 -0.1758 1.0948 1.0948 1.4735 1.4735 2.2420 2.2420 3.8134 3.8134 k = 0.5000-0.5148-0.5633 ( 7516 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8937 -14.8937 -14.8559 -14.8559 -14.8438 -14.8438 -14.7766 -14.7766 -14.7225 -14.7225 -7.5587 -7.5587 -6.3578 -6.3578 -0.2254 -0.2254 -0.1698 -0.1698 1.0597 1.0597 1.4800 1.4800 2.2110 2.2110 3.8077 3.8077 k = 0.5000-0.5012-0.5850 ( 7512 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8937 -14.8937 -14.8559 -14.8559 -14.8438 -14.8438 -14.7766 -14.7766 -14.7225 -14.7225 -7.5574 -7.5574 -6.3577 -6.3577 -0.2201 -0.2201 -0.1629 -0.1629 1.0235 1.0235 1.4865 1.4865 2.1794 2.1794 3.8016 3.8016 k = 0.5000-0.4877-0.6067 ( 7512 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8937 -14.8937 -14.8559 -14.8559 -14.8438 -14.8438 -14.7766 -14.7766 -14.7225 -14.7225 -7.5560 -7.5560 -6.3577 -6.3577 -0.2148 -0.2148 -0.1551 -0.1551 0.9869 0.9869 1.4928 1.4928 2.1483 2.1483 3.7951 3.7951 k = 0.5000-0.4741-0.6285 ( 7508 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8937 -14.8937 -14.8559 -14.8559 -14.8438 -14.8438 -14.7766 -14.7766 -14.7225 -14.7225 -7.5545 -7.5545 -6.3577 -6.3577 -0.2097 -0.2097 -0.1465 -0.1465 0.9509 0.9509 1.4984 1.4984 2.1187 2.1187 3.7881 3.7881 k = 0.5000-0.4605-0.6502 ( 7520 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8937 -14.8937 -14.8559 -14.8559 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5530 -7.5530 -6.3578 -6.3578 -0.2051 -0.2051 -0.1371 -0.1371 0.9161 0.9161 1.5030 1.5030 2.0914 2.0914 3.7804 3.7804 k = 0.5000-0.4469-0.6719 ( 7532 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8937 -14.8937 -14.8560 -14.8560 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5515 -7.5515 -6.3580 -6.3580 -0.2009 -0.2009 -0.1270 -0.1270 0.8834 0.8834 1.5063 1.5063 2.0674 2.0674 3.7718 3.7718 k = 0.5000-0.4334-0.6936 ( 7526 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8937 -14.8937 -14.8560 -14.8560 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5500 -7.5500 -6.3584 -6.3584 -0.1972 -0.1972 -0.1166 -0.1166 0.8533 0.8533 1.5080 1.5080 2.0475 2.0475 3.7622 3.7622 k = 0.5000-0.4198-0.7153 ( 7520 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5486 -7.5486 -6.3589 -6.3589 -0.1941 -0.1941 -0.1058 -0.1058 0.8265 0.8265 1.5077 1.5077 2.0324 2.0324 3.7515 3.7515 k = 0.5000-0.4062-0.7370 ( 7514 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5472 -7.5472 -6.3596 -6.3596 -0.1916 -0.1916 -0.0950 -0.0950 0.8035 0.8035 1.5053 1.5053 2.0224 2.0224 3.7393 3.7393 k = 0.5000-0.3927-0.7587 ( 7522 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5459 -7.5459 -6.3605 -6.3605 -0.1898 -0.1898 -0.0841 -0.0841 0.7847 0.7847 1.5011 1.5011 2.0177 2.0177 3.7257 3.7257 k = 0.5000-0.3791-0.7805 ( 7526 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7765 -14.7765 -14.7225 -14.7225 -7.5448 -7.5448 -6.3616 -6.3616 -0.1885 -0.1885 -0.0734 -0.0734 0.7704 0.7704 1.4951 1.4951 2.0183 2.0183 3.7105 3.7105 k = 0.5000-0.3655-0.8022 ( 7522 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7765 -14.7765 -14.7225 -14.7225 -7.5438 -7.5438 -6.3630 -6.3630 -0.1877 -0.1877 -0.0628 -0.0628 0.7608 0.7608 1.4880 1.4880 2.0239 2.0239 3.6937 3.6937 k = 0.5000-0.3520-0.8239 ( 7518 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7765 -14.7765 -14.7225 -14.7225 -7.5430 -7.5430 -6.3646 -6.3646 -0.1873 -0.1873 -0.0525 -0.0525 0.7560 0.7560 1.4803 1.4803 2.0339 2.0339 3.6752 3.6752 k = 0.5000-0.3384-0.8456 ( 7524 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7765 -14.7765 -14.7225 -14.7225 -7.5424 -7.5424 -6.3665 -6.3665 -0.1872 -0.1872 -0.0424 -0.0424 0.7560 0.7560 1.4725 1.4725 2.0478 2.0478 3.6551 3.6551 k = 0.5000-0.3248-0.8673 ( 7516 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7765 -14.7765 -14.7225 -14.7225 -7.5420 -7.5420 -6.3687 -6.3687 -0.1871 -0.1871 -0.0325 -0.0325 0.7606 0.7606 1.4653 1.4653 2.0652 2.0652 3.6334 3.6334 k = 0.5000-0.3112-0.8890 ( 7528 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7225 -14.7225 -7.5418 -7.5418 -6.3711 -6.3711 -0.1868 -0.1868 -0.0227 -0.0227 0.7695 0.7695 1.4590 1.4590 2.0854 2.0854 3.6101 3.6101 k = 0.8047-0.2041-0.6694 ( 7528 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7225 -14.7225 -7.5418 -7.5418 -6.3711 -6.3711 -0.1868 -0.1868 -0.0227 -0.0227 0.7695 0.7695 1.4590 1.4590 2.0854 2.0854 3.6101 3.6101 k = 0.7960-0.1933-0.6471 ( 7520 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7225 -14.7225 -7.5419 -7.5419 -6.3740 -6.3740 -0.1859 -0.1859 -0.0128 -0.0128 0.7830 0.7830 1.4540 1.4540 2.1087 2.1087 3.5848 3.5848 k = 0.7873-0.1824-0.6248 ( 7528 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7225 -14.7225 -7.5423 -7.5423 -6.3772 -6.3772 -0.1843 -0.1843 -0.0028 -0.0028 0.8004 0.8004 1.4508 1.4508 2.1340 2.1340 3.5581 3.5581 k = 0.7786-0.1716-0.6026 ( 7528 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9050 -14.9050 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5430 -7.5430 -6.3806 -6.3806 -0.1816 -0.1816 0.0072 0.0072 0.8213 0.8213 1.4497 1.4497 2.1611 2.1611 3.5302 3.5302 k = 0.7699-0.1607-0.5803 ( 7530 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5440 -7.5440 -6.3845 -6.3845 -0.1776 -0.1776 0.0174 0.0174 0.8454 0.8454 1.4508 1.4508 2.1895 2.1895 3.5014 3.5014 k = 0.7612-0.1499-0.5580 ( 7522 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5453 -7.5453 -6.3886 -6.3886 -0.1720 -0.1720 0.0278 0.0278 0.8723 0.8723 1.4543 1.4543 2.2189 2.2189 3.4719 3.4719 k = 0.7525-0.1390-0.5358 ( 7518 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5469 -7.5469 -6.3930 -6.3930 -0.1647 -0.1647 0.0385 0.0385 0.9017 0.9017 1.4603 1.4603 2.2490 2.2490 3.4418 3.4418 k = 0.7438-0.1282-0.5135 ( 7522 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5488 -7.5488 -6.3977 -6.3977 -0.1555 -0.1555 0.0497 0.0497 0.9331 0.9331 1.4689 1.4689 2.2796 2.2796 3.4115 3.4115 k = 0.7351-0.1173-0.4913 ( 7522 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9052 -14.9052 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7227 -14.7227 -7.5510 -7.5510 -6.4027 -6.4027 -0.1445 -0.1445 0.0613 0.0613 0.9664 0.9664 1.4801 1.4801 2.3103 2.3103 3.3812 3.3812 k = 0.7263-0.1065-0.4690 ( 7526 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9052 -14.9052 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7227 -14.7227 -7.5534 -7.5534 -6.4080 -6.4080 -0.1315 -0.1315 0.0735 0.0735 1.0011 1.0011 1.4938 1.4938 2.3409 2.3409 3.3512 3.3512 k = 0.7176-0.0956-0.4467 ( 7532 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9053 -14.9053 -14.8939 -14.8939 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7227 -14.7227 -7.5562 -7.5562 -6.4135 -6.4135 -0.1168 -0.1168 0.0863 0.0863 1.0371 1.0371 1.5102 1.5102 2.3711 2.3711 3.3218 3.3218 k = 0.7089-0.0847-0.4245 ( 7524 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3809 -17.3809 -17.3441 -17.3441 -14.9053 -14.9053 -14.8939 -14.8939 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7228 -14.7228 -7.5592 -7.5592 -6.4191 -6.4191 -0.1004 -0.1004 0.0999 0.0999 1.0742 1.0742 1.5291 1.5291 2.4006 2.4006 3.2932 3.2932 k = 0.7002-0.0739-0.4022 ( 7534 PWs) bands (ev): -17.4551 -17.4551 -17.4479 -17.4479 -17.3809 -17.3809 -17.3441 -17.3441 -14.9053 -14.9053 -14.8939 -14.8939 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7228 -14.7228 -7.5625 -7.5625 -6.4250 -6.4250 -0.0826 -0.0826 0.1144 0.1144 1.1122 1.1122 1.5506 1.5506 2.4291 2.4291 3.2658 3.2658 k = 0.6915-0.0630-0.3799 ( 7542 PWs) bands (ev): -17.4551 -17.4551 -17.4479 -17.4479 -17.3809 -17.3809 -17.3441 -17.3441 -14.9054 -14.9054 -14.8940 -14.8940 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7228 -14.7228 -7.5659 -7.5659 -6.4310 -6.4310 -0.0638 -0.0638 0.1301 0.1301 1.1509 1.1509 1.5746 1.5746 2.4563 2.4563 3.2399 3.2399 k = 0.6828-0.0522-0.3577 ( 7554 PWs) bands (ev): -17.4551 -17.4551 -17.4479 -17.4479 -17.3809 -17.3809 -17.3441 -17.3441 -14.9054 -14.9054 -14.8940 -14.8940 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7229 -14.7229 -7.5695 -7.5695 -6.4371 -6.4371 -0.0444 -0.0444 0.1472 0.1472 1.1902 1.1902 1.6010 1.6010 2.4818 2.4818 3.2158 3.2158 k = 0.6741-0.0413-0.3354 ( 7552 PWs) bands (ev): -17.4551 -17.4551 -17.4479 -17.4479 -17.3809 -17.3809 -17.3442 -17.3442 -14.9055 -14.9055 -14.8941 -14.8941 -14.8561 -14.8561 -14.8437 -14.8437 -14.7762 -14.7762 -14.7229 -14.7229 -7.5733 -7.5733 -6.4432 -6.4432 -0.0248 -0.0248 0.1660 0.1660 1.2300 1.2300 1.6298 1.6298 2.5053 2.5053 3.1940 3.1940 k = 0.6654-0.0305-0.3132 ( 7556 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3809 -17.3809 -17.3442 -17.3442 -14.9055 -14.9055 -14.8941 -14.8941 -14.8561 -14.8561 -14.8437 -14.8437 -14.7762 -14.7762 -14.7229 -14.7229 -7.5772 -7.5772 -6.4494 -6.4494 -0.0058 -0.0058 0.1867 0.1867 1.2702 1.2702 1.6608 1.6608 2.5264 2.5264 3.1748 3.1748 k = 0.6567-0.0196-0.2909 ( 7558 PWs) bands (ev): -17.4552 -17.4552 -17.4480 -17.4480 -17.3809 -17.3809 -17.3442 -17.3442 -14.9056 -14.9056 -14.8942 -14.8942 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7230 -14.7230 -7.5812 -7.5812 -6.4556 -6.4556 0.0124 0.0124 0.2095 0.2095 1.3108 1.3108 1.6940 1.6940 2.5446 2.5446 3.1586 3.1586 k = 0.6480-0.0088-0.2686 ( 7560 PWs) bands (ev): -17.4552 -17.4552 -17.4480 -17.4480 -17.3809 -17.3809 -17.3442 -17.3442 -14.9057 -14.9057 -14.8942 -14.8942 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7230 -14.7230 -7.5852 -7.5852 -6.4617 -6.4617 0.0292 0.0292 0.2344 0.2344 1.3518 1.3518 1.7291 1.7291 2.5596 2.5596 3.1457 3.1457 k = 0.6393 0.0021-0.2464 ( 7560 PWs) bands (ev): -17.4552 -17.4552 -17.4480 -17.4480 -17.3809 -17.3809 -17.3442 -17.3442 -14.9057 -14.9057 -14.8942 -14.8942 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7231 -14.7231 -7.5892 -7.5892 -6.4678 -6.4678 0.0445 0.0445 0.2614 0.2614 1.3932 1.3932 1.7660 1.7660 2.5712 2.5712 3.1366 3.1366 k = 0.6306 0.0129-0.2241 ( 7556 PWs) bands (ev): -17.4552 -17.4552 -17.4480 -17.4480 -17.3809 -17.3809 -17.3442 -17.3442 -14.9058 -14.9058 -14.8943 -14.8943 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7231 -14.7231 -7.5932 -7.5932 -6.4737 -6.4737 0.0581 0.0581 0.2901 0.2901 1.4349 1.4349 1.8045 1.8045 2.5790 2.5790 3.1313 3.1313 k = 0.6219 0.0238-0.2018 ( 7554 PWs) bands (ev): -17.4552 -17.4552 -17.4481 -17.4481 -17.3809 -17.3809 -17.3442 -17.3442 -14.9058 -14.9058 -14.8943 -14.8943 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7231 -14.7231 -7.5972 -7.5972 -6.4795 -6.4795 0.0701 0.0701 0.3201 0.3201 1.4770 1.4770 1.8443 1.8443 2.5830 2.5830 3.1299 3.1299 k = 0.6132 0.0346-0.1796 ( 7552 PWs) bands (ev): -17.4552 -17.4552 -17.4481 -17.4481 -17.3809 -17.3809 -17.3442 -17.3442 -14.9059 -14.9059 -14.8944 -14.8944 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7232 -14.7232 -7.6011 -7.6011 -6.4850 -6.4850 0.0805 0.0805 0.3509 0.3509 1.5195 1.5195 1.8852 1.8852 2.5833 2.5833 3.1323 3.1323 k = 0.6045 0.0455-0.1573 ( 7546 PWs) bands (ev): -17.4553 -17.4553 -17.4481 -17.4481 -17.3809 -17.3809 -17.3442 -17.3442 -14.9059 -14.9059 -14.8944 -14.8944 -14.8561 -14.8561 -14.8438 -14.8438 -14.7761 -14.7761 -14.7232 -14.7232 -7.6048 -7.6048 -6.4903 -6.4903 0.0896 0.0896 0.3819 0.3819 1.5623 1.5623 1.9267 1.9267 2.5802 2.5802 3.1382 3.1382 k = 0.5958 0.0564-0.1351 ( 7542 PWs) bands (ev): -17.4553 -17.4553 -17.4481 -17.4481 -17.3809 -17.3809 -17.3442 -17.3442 -14.9060 -14.9060 -14.8945 -14.8945 -14.8561 -14.8561 -14.8438 -14.8438 -14.7761 -14.7761 -14.7232 -14.7232 -7.6084 -7.6084 -6.4953 -6.4953 0.0974 0.0974 0.4125 0.4125 1.6053 1.6053 1.9687 1.9687 2.5739 2.5739 3.1471 3.1471 k = 0.5871 0.0672-0.1128 ( 7542 PWs) bands (ev): -17.4553 -17.4553 -17.4481 -17.4481 -17.3809 -17.3809 -17.3442 -17.3442 -14.9060 -14.9060 -14.8945 -14.8945 -14.8561 -14.8561 -14.8438 -14.8438 -14.7761 -14.7761 -14.7232 -14.7232 -7.6117 -7.6117 -6.5000 -6.5000 0.1042 0.1042 0.4423 0.4423 1.6483 1.6483 2.0105 2.0105 2.5649 2.5649 3.1584 3.1584 k = 0.5784 0.0781-0.0905 ( 7538 PWs) bands (ev): -17.4553 -17.4553 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9060 -14.9060 -14.8945 -14.8945 -14.8560 -14.8560 -14.8438 -14.8438 -14.7761 -14.7761 -14.7233 -14.7233 -7.6149 -7.6149 -6.5044 -6.5044 0.1099 0.1099 0.4706 0.4706 1.6911 1.6911 2.0520 2.0520 2.5536 2.5536 3.1716 3.1716 k = 0.5696 0.0889-0.0683 ( 7538 PWs) bands (ev): -17.4553 -17.4553 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9061 -14.9061 -14.8946 -14.8946 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7233 -14.7233 -7.6178 -7.6178 -6.5084 -6.5084 0.1148 0.1148 0.4970 0.4970 1.7333 1.7333 2.0925 2.0925 2.5404 2.5404 3.1860 3.1860 k = 0.5609 0.0998-0.0460 ( 7536 PWs) bands (ev): -17.4553 -17.4553 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9061 -14.9061 -14.8946 -14.8946 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7233 -14.7233 -7.6204 -7.6204 -6.5119 -6.5119 0.1188 0.1188 0.5212 0.5212 1.7742 1.7742 2.1317 2.1317 2.5258 2.5258 3.2009 3.2009 k = 0.5522 0.1106-0.0237 ( 7532 PWs) bands (ev): -17.4553 -17.4553 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9061 -14.9061 -14.8946 -14.8946 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7233 -14.7233 -7.6228 -7.6228 -6.5151 -6.5151 0.1222 0.1222 0.5427 0.5427 1.8131 1.8131 2.1690 2.1690 2.5100 2.5100 3.2157 3.2157 k = 0.5435 0.1215-0.0015 ( 7540 PWs) bands (ev): -17.4553 -17.4553 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8946 -14.8946 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6248 -7.6248 -6.5178 -6.5178 0.1250 0.1250 0.5614 0.5614 1.8491 1.8491 2.2039 2.2039 2.4935 2.4935 3.2297 3.2297 k = 0.5348 0.1323 0.0208 ( 7550 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6264 -7.6264 -6.5200 -6.5200 0.1272 0.1272 0.5769 0.5769 1.8811 1.8811 2.2357 2.2357 2.4768 2.4768 3.2422 3.2422 k = 0.5261 0.1432 0.0431 ( 7554 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6277 -7.6277 -6.5218 -6.5218 0.1288 0.1288 0.5892 0.5892 1.9079 1.9079 2.2637 2.2637 2.4605 2.4605 3.2526 3.2526 k = 0.5174 0.1540 0.0653 ( 7564 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6287 -7.6287 -6.5231 -6.5231 0.1299 0.1299 0.5980 0.5980 1.9281 1.9281 2.2867 2.2867 2.4460 2.4460 3.2604 3.2604 k = 0.5087 0.1649 0.0876 ( 7566 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6293 -7.6293 -6.5238 -6.5238 0.1306 0.1306 0.6034 0.6034 1.9408 1.9408 2.3025 2.3025 2.4351 2.4351 3.2653 3.2653 k = 0.5000 0.1757 0.1098 ( 7568 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6295 -7.6295 -6.5241 -6.5241 0.1309 0.1309 0.6051 0.6051 1.9451 1.9451 2.3084 2.3084 2.4309 2.4309 3.2669 3.2669 k = 0.5000 0.1757 0.1098 ( 7568 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6295 -7.6295 -6.5241 -6.5241 0.1309 0.1309 0.6051 0.6051 1.9451 1.9451 2.3084 2.3084 2.4309 2.4309 3.2669 3.2669 k = 0.4762 0.1674 0.1046 ( 7595 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6298 -7.6298 -6.5235 -6.5235 0.1259 0.1259 0.6064 0.6064 1.9456 1.9456 2.2950 2.2950 2.4503 2.4503 3.2660 3.2660 k = 0.4524 0.1590 0.0994 ( 7565 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6307 -7.6307 -6.5216 -6.5216 0.1114 0.1114 0.6100 0.6100 1.9469 1.9469 2.2680 2.2680 2.4952 2.4952 3.2632 3.2632 k = 0.4286 0.1506 0.0941 ( 7565 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6322 -7.6322 -6.5186 -6.5186 0.0883 0.0883 0.6155 0.6155 1.9492 1.9492 2.2394 2.2394 2.5530 2.5530 3.2586 3.2586 k = 0.4048 0.1423 0.0889 ( 7550 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6343 -7.6343 -6.5145 -6.5145 0.0579 0.0579 0.6223 0.6223 1.9522 1.9522 2.2127 2.2127 2.6190 2.6190 3.2523 3.2523 k = 0.3810 0.1339 0.0837 ( 7535 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3810 -17.3810 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8559 -14.8559 -14.8440 -14.8440 -14.7762 -14.7762 -14.7233 -14.7233 -7.6368 -7.6368 -6.5094 -6.5094 0.0218 0.0218 0.6299 0.6299 1.9561 1.9561 2.1884 2.1884 2.6913 2.6913 3.2444 3.2444 k = 0.3571 0.1255 0.0785 ( 7541 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3810 -17.3810 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8559 -14.8559 -14.8440 -14.8440 -14.7762 -14.7762 -14.7233 -14.7233 -7.6398 -7.6398 -6.5033 -6.5033 -0.0186 -0.0186 0.6378 0.6378 1.9606 1.9606 2.1665 2.1665 2.7683 2.7683 3.2352 3.2352 k = 0.3333 0.1172 0.0732 ( 7535 PWs) bands (ev): -17.4554 -17.4554 -17.4483 -17.4483 -17.3810 -17.3810 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8559 -14.8559 -14.8440 -14.8440 -14.7763 -14.7763 -14.7233 -14.7233 -7.6431 -7.6431 -6.4966 -6.4966 -0.0618 -0.0618 0.6458 0.6458 1.9659 1.9659 2.1468 2.1468 2.8486 2.8486 3.2247 3.2247 k = 0.3095 0.1088 0.0680 ( 7529 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3810 -17.3810 -17.3441 -17.3441 -14.9062 -14.9062 -14.8947 -14.8947 -14.8558 -14.8558 -14.8441 -14.8441 -14.7763 -14.7763 -14.7233 -14.7233 -7.6467 -7.6467 -6.4893 -6.4893 -0.1067 -0.1067 0.6536 0.6536 1.9716 1.9716 2.1289 2.1289 2.9305 2.9305 3.2132 3.2132 k = 0.2857 0.1004 0.0628 ( 7526 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3810 -17.3810 -17.3441 -17.3441 -14.9062 -14.9062 -14.8947 -14.8947 -14.8558 -14.8558 -14.8441 -14.8441 -14.7763 -14.7763 -14.7232 -14.7232 -7.6504 -7.6504 -6.4815 -6.4815 -0.1520 -0.1520 0.6612 0.6612 1.9779 1.9779 2.1125 2.1125 3.0123 3.0123 3.2009 3.2009 k = 0.2619 0.0921 0.0575 ( 7544 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3811 -17.3811 -17.3441 -17.3441 -14.9062 -14.9062 -14.8947 -14.8947 -14.8557 -14.8557 -14.8441 -14.8441 -14.7764 -14.7764 -14.7232 -14.7232 -7.6543 -7.6543 -6.4735 -6.4735 -0.1967 -0.1967 0.6685 0.6685 1.9844 1.9844 2.0975 2.0975 3.0921 3.0921 3.1881 3.1881 k = 0.2381 0.0837 0.0523 ( 7553 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3811 -17.3811 -17.3441 -17.3441 -14.9062 -14.9062 -14.8947 -14.8947 -14.8557 -14.8557 -14.8442 -14.8442 -14.7765 -14.7765 -14.7232 -14.7232 -7.6581 -7.6581 -6.4655 -6.4655 -0.2401 -0.2401 0.6753 0.6753 1.9912 1.9912 2.0838 2.0838 3.1682 3.1682 3.1751 3.1751 k = 0.2143 0.0753 0.0471 ( 7562 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3811 -17.3811 -17.3440 -17.3440 -14.9062 -14.9062 -14.8947 -14.8947 -14.8556 -14.8556 -14.8442 -14.8442 -14.7765 -14.7765 -14.7231 -14.7231 -7.6619 -7.6619 -6.4575 -6.4575 -0.2814 -0.2814 0.6817 0.6817 1.9980 1.9980 2.0712 2.0712 3.1621 3.1621 3.2391 3.2391 k = 0.1905 0.0670 0.0418 ( 7562 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3811 -17.3811 -17.3440 -17.3440 -14.9062 -14.9062 -14.8947 -14.8947 -14.8556 -14.8556 -14.8443 -14.8443 -14.7766 -14.7766 -14.7231 -14.7231 -7.6654 -7.6654 -6.4499 -6.4499 -0.3199 -0.3199 0.6876 0.6876 2.0046 2.0046 2.0598 2.0598 3.1495 3.1495 3.3036 3.3036 k = 0.1667 0.0586 0.0366 ( 7556 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3440 -17.3440 -14.9062 -14.9062 -14.8947 -14.8947 -14.8555 -14.8555 -14.8443 -14.8443 -14.7766 -14.7766 -14.7231 -14.7231 -7.6688 -7.6688 -6.4427 -6.4427 -0.3551 -0.3551 0.6929 0.6929 2.0111 2.0111 2.0496 2.0496 3.1375 3.1375 3.3607 3.3607 k = 0.1429 0.0502 0.0314 ( 7571 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3440 -17.3440 -14.9062 -14.9062 -14.8947 -14.8947 -14.8555 -14.8555 -14.8443 -14.8443 -14.7766 -14.7766 -14.7231 -14.7231 -7.6718 -7.6718 -6.4361 -6.4361 -0.3866 -0.3866 0.6977 0.6977 2.0171 2.0171 2.0405 2.0405 3.1265 3.1265 3.4101 3.4101 k = 0.1190 0.0418 0.0262 ( 7559 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3440 -17.3440 -14.9062 -14.9062 -14.8947 -14.8947 -14.8555 -14.8555 -14.8444 -14.8444 -14.7767 -14.7767 -14.7230 -14.7230 -7.6745 -7.6745 -6.4302 -6.4302 -0.4138 -0.4138 0.7018 0.7018 2.0225 2.0225 2.0328 2.0328 3.1166 3.1166 3.4515 3.4515 k = 0.0952 0.0335 0.0209 ( 7568 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7767 -14.7767 -14.7230 -14.7230 -7.6768 -7.6768 -6.4253 -6.4253 -0.4365 -0.4365 0.7053 0.7053 2.0263 2.0263 2.0271 2.0271 3.1081 3.1081 3.4851 3.4851 k = 0.0714 0.0251 0.0157 ( 7555 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7767 -14.7767 -14.7230 -14.7230 -7.6786 -7.6786 -6.4213 -6.4213 -0.4544 -0.4544 0.7081 0.7081 2.0212 2.0212 2.0309 2.0309 3.1013 3.1013 3.5110 3.5110 k = 0.0476 0.0167 0.0105 ( 7552 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6799 -7.6799 -6.4184 -6.4184 -0.4674 -0.4674 0.7100 0.7100 2.0175 2.0175 2.0337 2.0337 3.0963 3.0963 3.5294 3.5294 k = 0.0238 0.0084 0.0052 ( 7555 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6807 -7.6807 -6.4167 -6.4167 -0.4752 -0.4752 0.7113 0.7113 2.0153 2.0153 2.0354 2.0354 3.0932 3.0932 3.5403 3.5403 k = 0.0000 0.0000 0.0000 ( 7537 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6810 -7.6810 -6.4161 -6.4161 -0.4778 -0.4778 0.7117 0.7117 2.0146 2.0146 2.0360 2.0360 3.0922 3.0922 3.5440 3.5440 k = 0.0000 0.0000 0.0000 ( 7537 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6810 -7.6810 -6.4161 -6.4161 -0.4778 -0.4778 0.7117 0.7117 2.0146 2.0146 2.0360 2.0360 3.0922 3.0922 3.5440 3.5440 k = 0.0087-0.0108-0.0222 ( 7547 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6807 -7.6807 -6.4159 -6.4159 -0.4773 -0.4773 0.7094 0.7094 2.0103 2.0103 2.0337 2.0337 3.0887 3.0887 3.5516 3.5516 k = 0.0174-0.0217-0.0445 ( 7559 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6800 -7.6800 -6.4155 -6.4155 -0.4758 -0.4758 0.7028 0.7028 1.9970 1.9970 2.0274 2.0274 3.0785 3.0785 3.5739 3.5739 k = 0.0261-0.0325-0.0667 ( 7557 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6789 -7.6789 -6.4147 -6.4147 -0.4733 -0.4733 0.6917 0.6917 1.9749 1.9749 2.0181 2.0181 3.0619 3.0619 3.6097 3.6097 k = 0.0348-0.0433-0.0889 ( 7557 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9062 -14.9062 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7230 -14.7230 -7.6772 -7.6772 -6.4137 -6.4137 -0.4698 -0.4698 0.6764 0.6764 1.9452 1.9452 2.0061 2.0061 3.0396 3.0396 3.6573 3.6573 k = 0.0435-0.0542-0.1111 ( 7561 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9061 -14.9061 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7229 -14.7229 -7.6751 -7.6751 -6.4124 -6.4124 -0.4653 -0.4653 0.6570 0.6570 1.9097 1.9097 1.9913 1.9913 3.0126 3.0126 3.7147 3.7147 k = 0.0521-0.0650-0.1334 ( 7563 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9061 -14.9061 -14.8947 -14.8947 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7229 -14.7229 -7.6726 -7.6726 -6.4108 -6.4108 -0.4600 -0.4600 0.6336 0.6336 1.8702 1.8702 1.9736 1.9736 2.9816 2.9816 3.7795 3.7795 k = 0.0608-0.0759-0.1556 ( 7563 PWs) bands (ev): -17.4553 -17.4553 -17.4483 -17.4483 -17.3812 -17.3812 -17.3439 -17.3439 -14.9061 -14.9061 -14.8946 -14.8946 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7229 -14.7229 -7.6697 -7.6697 -6.4089 -6.4089 -0.4538 -0.4538 0.6066 0.6066 1.8280 1.8280 1.9534 1.9534 2.9477 2.9477 3.8496 3.8496 k = 0.0695-0.0867-0.1778 ( 7563 PWs) bands (ev): -17.4552 -17.4552 -17.4482 -17.4482 -17.3812 -17.3812 -17.3439 -17.3439 -14.9061 -14.9061 -14.8946 -14.8946 -14.8554 -14.8554 -14.8444 -14.8444 -14.7768 -14.7768 -14.7229 -14.7229 -7.6663 -7.6663 -6.4068 -6.4068 -0.4467 -0.4467 0.5763 0.5763 1.7841 1.7841 1.9307 1.9307 2.9115 2.9115 3.9226 3.9226 k = 0.0782-0.0975-0.2000 ( 7565 PWs) bands (ev): -17.4552 -17.4552 -17.4482 -17.4482 -17.3812 -17.3812 -17.3439 -17.3439 -14.9060 -14.9060 -14.8946 -14.8946 -14.8554 -14.8554 -14.8443 -14.8443 -14.7768 -14.7768 -14.7229 -14.7229 -7.6627 -7.6627 -6.4046 -6.4046 -0.4389 -0.4389 0.5431 0.5431 1.7395 1.7395 1.9059 1.9059 2.8739 2.8739 3.9961 3.9961 k = 0.0869-0.1084-0.2223 ( 7561 PWs) bands (ev): -17.4552 -17.4552 -17.4482 -17.4482 -17.3812 -17.3812 -17.3439 -17.3439 -14.9060 -14.9060 -14.8945 -14.8945 -14.8555 -14.8555 -14.8443 -14.8443 -14.7767 -14.7767 -14.7229 -14.7229 -7.6586 -7.6586 -6.4021 -6.4021 -0.4304 -0.4304 0.5073 0.5073 1.6948 1.6948 1.8792 1.8792 2.8352 2.8352 4.0674 4.0674 k = 0.0956-0.1192-0.2445 ( 7553 PWs) bands (ev): -17.4552 -17.4552 -17.4482 -17.4482 -17.3812 -17.3812 -17.3439 -17.3439 -14.9059 -14.9059 -14.8945 -14.8945 -14.8555 -14.8555 -14.8443 -14.8443 -14.7767 -14.7767 -14.7228 -14.7228 -7.6543 -7.6543 -6.3995 -6.3995 -0.4213 -0.4213 0.4696 0.4696 1.6502 1.6502 1.8511 1.8511 2.7960 2.7960 4.1332 4.1332 k = 0.1043-0.1300-0.2667 ( 7545 PWs) bands (ev): -17.4552 -17.4552 -17.4482 -17.4482 -17.3812 -17.3812 -17.3439 -17.3439 -14.9059 -14.9059 -14.8944 -14.8944 -14.8555 -14.8555 -14.8443 -14.8443 -14.7767 -14.7767 -14.7228 -14.7228 -7.6496 -7.6496 -6.3967 -6.3967 -0.4116 -0.4116 0.4303 0.4303 1.6062 1.6062 1.8220 1.8220 2.7565 2.7565 4.1900 4.1900 k = 0.1130-0.1409-0.2889 ( 7543 PWs) bands (ev): -17.4552 -17.4552 -17.4481 -17.4481 -17.3812 -17.3812 -17.3439 -17.3439 -14.9058 -14.9058 -14.8944 -14.8944 -14.8555 -14.8555 -14.8442 -14.8442 -14.7767 -14.7767 -14.7228 -14.7228 -7.6448 -7.6448 -6.3938 -6.3938 -0.4015 -0.4015 0.3901 0.3901 1.5626 1.5626 1.7922 1.7922 2.7169 2.7169 4.2347 4.2347 k = 0.1217-0.1517-0.3112 ( 7545 PWs) bands (ev): -17.4552 -17.4552 -17.4481 -17.4481 -17.3812 -17.3812 -17.3439 -17.3439 -14.9058 -14.9058 -14.8944 -14.8944 -14.8555 -14.8555 -14.8442 -14.8442 -14.7767 -14.7767 -14.7228 -14.7228 -7.6397 -7.6397 -6.3909 -6.3909 -0.3910 -0.3910 0.3495 0.3495 1.5197 1.5197 1.7621 1.7621 2.6774 2.6774 4.2656 4.2656 k = 0.1304-0.1625-0.3334 ( 7543 PWs) bands (ev): -17.4551 -17.4551 -17.4481 -17.4481 -17.3812 -17.3812 -17.3439 -17.3439 -14.9057 -14.9057 -14.8943 -14.8943 -14.8556 -14.8556 -14.8442 -14.8442 -14.7767 -14.7767 -14.7228 -14.7228 -7.6345 -7.6345 -6.3879 -6.3879 -0.3803 -0.3803 0.3089 0.3089 1.4774 1.4774 1.7323 1.7323 2.6380 2.6380 4.2834 4.2834 k = 0.1391-0.1734-0.3556 ( 7539 PWs) bands (ev): -17.4551 -17.4551 -17.4481 -17.4481 -17.3811 -17.3811 -17.3439 -17.3439 -14.9057 -14.9057 -14.8943 -14.8943 -14.8556 -14.8556 -14.8442 -14.8442 -14.7767 -14.7767 -14.7227 -14.7227 -7.6291 -7.6291 -6.3849 -6.3849 -0.3694 -0.3694 0.2689 0.2689 1.4356 1.4356 1.7031 1.7031 2.5988 2.5988 4.2901 4.2901 k = 0.1478-0.1842-0.3778 ( 7547 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3811 -17.3811 -17.3439 -17.3439 -14.9056 -14.9056 -14.8942 -14.8942 -14.8556 -14.8556 -14.8441 -14.8441 -14.7767 -14.7767 -14.7227 -14.7227 -7.6236 -7.6236 -6.3819 -6.3819 -0.3585 -0.3585 0.2299 0.2299 1.3944 1.3944 1.6748 1.6748 2.5597 2.5597 4.2881 4.2881 k = 0.1564-0.1950-0.4001 ( 7531 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3811 -17.3811 -17.3439 -17.3439 -14.9056 -14.9056 -14.8942 -14.8942 -14.8556 -14.8556 -14.8441 -14.8441 -14.7767 -14.7767 -14.7227 -14.7227 -7.6181 -7.6181 -6.3790 -6.3790 -0.3476 -0.3476 0.1923 0.1923 1.3536 1.3536 1.6478 1.6478 2.5208 2.5208 4.2796 4.2796 k = 0.1651-0.2059-0.4223 ( 7541 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3811 -17.3811 -17.3439 -17.3439 -14.9055 -14.9055 -14.8941 -14.8941 -14.8557 -14.8557 -14.8441 -14.8441 -14.7767 -14.7767 -14.7227 -14.7227 -7.6125 -7.6125 -6.3762 -6.3762 -0.3369 -0.3369 0.1566 0.1566 1.3133 1.3133 1.6224 1.6224 2.4821 2.4821 4.2662 4.2662 k = 0.1738-0.2167-0.4445 ( 7541 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3811 -17.3811 -17.3439 -17.3439 -14.9055 -14.9055 -14.8941 -14.8941 -14.8557 -14.8557 -14.8441 -14.8441 -14.7767 -14.7767 -14.7226 -14.7226 -7.6070 -7.6070 -6.3734 -6.3734 -0.3266 -0.3266 0.1231 0.1231 1.2734 1.2734 1.5988 1.5988 2.4436 2.4436 4.2488 4.2488 k = 0.1825-0.2276-0.4667 ( 7539 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3811 -17.3811 -17.3439 -17.3439 -14.9054 -14.9054 -14.8940 -14.8940 -14.8557 -14.8557 -14.8440 -14.8440 -14.7767 -14.7767 -14.7226 -14.7226 -7.6015 -7.6015 -6.3708 -6.3708 -0.3167 -0.3167 0.0922 0.0922 1.2340 1.2340 1.5773 1.5773 2.4054 2.4054 4.2285 4.2285 k = 0.1912-0.2384-0.4890 ( 7537 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3811 -17.3811 -17.3439 -17.3439 -14.9054 -14.9054 -14.8940 -14.8940 -14.8557 -14.8557 -14.8440 -14.8440 -14.7767 -14.7767 -14.7226 -14.7226 -7.5961 -7.5961 -6.3684 -6.3684 -0.3073 -0.3073 0.0640 0.0640 1.1950 1.1950 1.5581 1.5581 2.3675 2.3675 4.2057 4.2057 k = 0.1999-0.2492-0.5112 ( 7539 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3811 -17.3811 -17.3439 -17.3439 -14.9053 -14.9053 -14.8940 -14.8940 -14.8558 -14.8558 -14.8440 -14.8440 -14.7766 -14.7766 -14.7226 -14.7226 -7.5909 -7.5909 -6.3662 -6.3662 -0.2985 -0.2985 0.0388 0.0388 1.1566 1.1566 1.5413 1.5413 2.3301 2.3301 4.1809 4.1809 k = 0.2086-0.2601-0.5334 ( 7531 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3811 -17.3811 -17.3439 -17.3439 -14.9053 -14.9053 -14.8939 -14.8939 -14.8558 -14.8558 -14.8440 -14.8440 -14.7766 -14.7766 -14.7226 -14.7226 -7.5858 -7.5858 -6.3641 -6.3641 -0.2905 -0.2905 0.0168 0.0168 1.1187 1.1187 1.5270 1.5270 2.2933 2.2933 4.1544 4.1544 k = 0.2173-0.2709-0.5556 ( 7527 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3810 -17.3810 -17.3440 -17.3440 -14.9052 -14.9052 -14.8939 -14.8939 -14.8558 -14.8558 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5810 -7.5810 -6.3623 -6.3623 -0.2831 -0.2831 -0.0019 -0.0019 1.0815 1.0815 1.5153 1.5153 2.2573 2.2573 4.1266 4.1266 k = 0.2260-0.2817-0.5779 ( 7531 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3810 -17.3810 -17.3440 -17.3440 -14.9052 -14.9052 -14.8938 -14.8938 -14.8558 -14.8558 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5763 -7.5763 -6.3608 -6.3608 -0.2764 -0.2764 -0.0175 -0.0175 1.0451 1.0451 1.5061 1.5061 2.2222 2.2222 4.0975 4.0975 k = 0.2347-0.2926-0.6001 ( 7539 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9052 -14.9052 -14.8938 -14.8938 -14.8558 -14.8558 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5719 -7.5719 -6.3595 -6.3595 -0.2703 -0.2703 -0.0298 -0.0298 1.0097 1.0097 1.4995 1.4995 2.1883 2.1883 4.0674 4.0674 k = 0.2434-0.3034-0.6223 ( 7539 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5678 -7.5678 -6.3585 -6.3585 -0.2647 -0.2647 -0.0393 -0.0393 0.9754 0.9754 1.4953 1.4953 2.1558 2.1558 4.0365 4.0365 k = 0.2520-0.3142-0.6446 ( 7529 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8937 -14.8937 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5640 -7.5640 -6.3578 -6.3578 -0.2592 -0.2592 -0.0462 -0.0462 0.9424 0.9424 1.4932 1.4932 2.1250 2.1250 4.0050 4.0050 k = 0.2607-0.3251-0.6668 ( 7519 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8937 -14.8937 -14.8559 -14.8559 -14.8438 -14.8438 -14.7766 -14.7766 -14.7225 -14.7225 -7.5604 -7.5604 -6.3574 -6.3574 -0.2537 -0.2537 -0.0508 -0.0508 0.9110 0.9110 1.4931 1.4931 2.0964 2.0964 3.9729 3.9729 k = 0.2694-0.3359-0.6890 ( 7519 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8937 -14.8937 -14.8559 -14.8559 -14.8438 -14.8438 -14.7766 -14.7766 -14.7225 -14.7225 -7.5572 -7.5572 -6.3572 -6.3572 -0.2480 -0.2480 -0.0536 -0.0536 0.8814 0.8814 1.4945 1.4945 2.0703 2.0703 3.9404 3.9404 k = 0.2781-0.3467-0.7112 ( 7521 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8937 -14.8937 -14.8559 -14.8559 -14.8438 -14.8438 -14.7766 -14.7766 -14.7225 -14.7225 -7.5543 -7.5543 -6.3574 -6.3574 -0.2417 -0.2417 -0.0549 -0.0549 0.8539 0.8539 1.4972 1.4972 2.0472 2.0472 3.9076 3.9076 k = 0.2868-0.3576-0.7335 ( 7519 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8937 -14.8937 -14.8559 -14.8559 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5517 -7.5517 -6.3578 -6.3578 -0.2349 -0.2349 -0.0553 -0.0553 0.8288 0.8288 1.5004 1.5004 2.0277 2.0277 3.8747 3.8747 k = 0.2955-0.3684-0.7557 ( 7526 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5495 -7.5495 -6.3584 -6.3584 -0.2274 -0.2274 -0.0550 -0.0550 0.8064 0.8064 1.5037 1.5037 2.0123 2.0123 3.8418 3.8418 k = 0.3042-0.3793-0.7779 ( 7534 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5476 -7.5476 -6.3594 -6.3594 -0.2193 -0.2193 -0.0543 -0.0543 0.7872 0.7872 1.5064 1.5064 2.0018 2.0018 3.8090 3.8090 k = 0.3129-0.3901-0.8001 ( 7520 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5459 -7.5459 -6.3605 -6.3605 -0.2107 -0.2107 -0.0535 -0.0535 0.7714 0.7714 1.5080 1.5080 1.9966 1.9966 3.7764 3.7764 k = 0.3216-0.4009-0.8224 ( 7528 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7765 -14.7765 -14.7225 -14.7225 -7.5446 -7.5446 -6.3619 -6.3619 -0.2019 -0.2019 -0.0528 -0.0528 0.7594 0.7594 1.5078 1.5078 1.9973 1.9973 3.7440 3.7440 k = 0.3303-0.4118-0.8446 ( 7540 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7765 -14.7765 -14.7225 -14.7225 -7.5436 -7.5436 -6.3634 -6.3634 -0.1930 -0.1930 -0.0523 -0.0523 0.7516 0.7516 1.5056 1.5056 2.0040 2.0040 3.7121 3.7121 k = 0.3390-0.4226-0.8668 ( 7534 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7765 -14.7765 -14.7225 -14.7225 -7.5428 -7.5428 -6.3651 -6.3651 -0.1843 -0.1843 -0.0523 -0.0523 0.7481 0.7481 1.5013 1.5013 2.0169 2.0169 3.6806 3.6806 k = 0.3477-0.4334-0.8890 ( 7530 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7765 -14.7765 -14.7225 -14.7225 -7.5423 -7.5423 -6.3670 -6.3670 -0.1762 -0.1762 -0.0526 -0.0526 0.7492 0.7492 1.4950 1.4950 2.0357 2.0357 3.6497 3.6497 k = 0.6523-0.2577-0.7792 ( 7530 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7765 -14.7765 -14.7225 -14.7225 -7.5423 -7.5423 -6.3670 -6.3670 -0.1762 -0.1762 -0.0526 -0.0526 0.7492 0.7492 1.4950 1.4950 2.0357 2.0357 3.6497 3.6497 k = 0.6439-0.2336-0.7792 ( 7526 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7765 -14.7765 -14.7225 -14.7225 -7.5420 -7.5420 -6.3689 -6.3689 -0.1691 -0.1691 -0.0532 -0.0532 0.7548 0.7548 1.4872 1.4872 2.0592 2.0592 3.6201 3.6201 k = 0.6354-0.2095-0.7792 ( 7518 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8560 -14.8560 -14.8437 -14.8437 -14.7764 -14.7764 -14.7225 -14.7225 -7.5419 -7.5419 -6.3709 -6.3709 -0.1631 -0.1631 -0.0541 -0.0541 0.7648 0.7648 1.4781 1.4781 2.0873 2.0873 3.5912 3.5912 k = 0.6270-0.1854-0.7792 ( 7510 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7225 -14.7225 -7.5419 -7.5419 -6.3729 -6.3729 -0.1584 -0.1584 -0.0552 -0.0552 0.7791 0.7791 1.4680 1.4680 2.1195 2.1195 3.5630 3.5630 k = 0.6185-0.1614-0.7792 ( 7508 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9050 -14.9050 -14.8936 -14.8936 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7225 -14.7225 -7.5421 -7.5421 -6.3750 -6.3750 -0.1552 -0.1552 -0.0562 -0.0562 0.7975 0.7975 1.4574 1.4574 2.1552 2.1552 3.5355 3.5355 k = 0.6100-0.1373-0.7792 ( 7510 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9050 -14.9050 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7225 -14.7225 -7.5424 -7.5424 -6.3770 -6.3770 -0.1535 -0.1535 -0.0571 -0.0571 0.8195 0.8195 1.4464 1.4464 2.1937 2.1937 3.5087 3.5087 k = 0.6016-0.1132-0.7792 ( 7508 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9050 -14.9050 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5428 -7.5428 -6.3791 -6.3791 -0.1532 -0.1532 -0.0578 -0.0578 0.8447 0.8447 1.4354 1.4354 2.2345 2.2345 3.4827 3.4827 k = 0.5931-0.0891-0.7792 ( 7520 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9050 -14.9050 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5433 -7.5433 -6.3811 -6.3811 -0.1543 -0.1543 -0.0582 -0.0582 0.8724 0.8724 1.4245 1.4245 2.2768 2.2768 3.4576 3.4576 k = 0.5846-0.0650-0.7792 ( 7516 PWs) bands (ev): -17.4549 -17.4549 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5439 -7.5439 -6.3830 -6.3830 -0.1565 -0.1565 -0.0583 -0.0583 0.9020 0.9020 1.4139 1.4139 2.3202 2.3202 3.4333 3.4333 k = 0.5762-0.0410-0.7792 ( 7510 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5444 -7.5444 -6.3848 -6.3848 -0.1594 -0.1594 -0.0583 -0.0583 0.9327 0.9327 1.4038 1.4038 2.3638 2.3638 3.4099 3.4099 k = 0.5677-0.0169-0.7792 ( 7512 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5450 -7.5450 -6.3864 -6.3864 -0.1628 -0.1628 -0.0582 -0.0582 0.9638 0.9638 1.3942 1.3942 2.4069 2.4069 3.3876 3.3876 k = 0.5592 0.0072-0.7792 ( 7510 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5455 -7.5455 -6.3880 -6.3880 -0.1665 -0.1665 -0.0581 -0.0581 0.9944 0.9944 1.3851 1.3851 2.4488 2.4488 3.3664 3.3664 k = 0.5508 0.0313-0.7792 ( 7518 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5460 -7.5460 -6.3893 -6.3893 -0.1701 -0.1701 -0.0579 -0.0579 1.0236 1.0236 1.3768 1.3768 2.4884 2.4884 3.3467 3.3467 k = 0.5423 0.0553-0.7792 ( 7518 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5465 -7.5465 -6.3905 -6.3905 -0.1735 -0.1735 -0.0578 -0.0578 1.0506 1.0506 1.3692 1.3692 2.5249 2.5249 3.3286 3.3286 k = 0.5339 0.0794-0.7792 ( 7530 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5469 -7.5469 -6.3915 -6.3915 -0.1765 -0.1765 -0.0576 -0.0576 1.0744 1.0744 1.3625 1.3625 2.5571 2.5571 3.3127 3.3127 k = 0.5254 0.1035-0.7792 ( 7530 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5472 -7.5472 -6.3923 -6.3923 -0.1790 -0.1790 -0.0576 -0.0576 1.0942 1.0942 1.3568 1.3568 2.5838 2.5838 3.2994 3.2994 k = 0.5169 0.1276-0.7792 ( 7530 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5474 -7.5474 -6.3928 -6.3928 -0.1808 -0.1808 -0.0575 -0.0575 1.1091 1.1091 1.3525 1.3525 2.6039 2.6039 3.2892 3.2892 k = 0.5085 0.1517-0.7792 ( 7524 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5476 -7.5476 -6.3932 -6.3932 -0.1820 -0.1820 -0.0575 -0.0575 1.1184 1.1184 1.3497 1.3497 2.6165 2.6165 3.2829 3.2829 k = 0.5000 0.1757-0.7792 ( 7510 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5476 -7.5476 -6.3933 -6.3933 -0.1823 -0.1823 -0.0574 -0.0574 1.1216 1.1216 1.3488 1.3488 2.6207 2.6207 3.2807 3.2807 k = 0.5000 0.1757-0.7792 ( 7510 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5476 -7.5476 -6.3933 -6.3933 -0.1823 -0.1823 -0.0574 -0.0574 1.1216 1.1216 1.3488 1.3488 2.6207 2.6207 3.2807 3.2807 k = 0.5190 0.1824-0.7655 ( 7524 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5477 -7.5477 -6.3933 -6.3933 -0.1847 -0.1847 -0.0548 -0.0548 1.1222 1.1222 1.3484 1.3484 2.6187 2.6187 3.2843 3.2843 k = 0.5381 0.1891-0.7517 ( 7526 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5478 -7.5478 -6.3933 -6.3933 -0.1910 -0.1910 -0.0477 -0.0477 1.1242 1.1242 1.3474 1.3474 2.6128 2.6128 3.2948 3.2948 k = 0.5571 0.1958-0.7380 ( 7531 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5481 -7.5481 -6.3932 -6.3932 -0.1998 -0.1998 -0.0376 -0.0376 1.1274 1.1274 1.3460 1.3460 2.6034 2.6034 3.3116 3.3116 k = 0.5762 0.2025-0.7243 ( 7533 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8937 -14.8937 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5484 -7.5484 -6.3931 -6.3931 -0.2097 -0.2097 -0.0262 -0.0262 1.1318 1.1318 1.3447 1.3447 2.5911 2.5911 3.3337 3.3337 k = 0.5952 0.2092-0.7105 ( 7539 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5488 -7.5488 -6.3930 -6.3930 -0.2197 -0.2197 -0.0148 -0.0148 1.1371 1.1371 1.3440 1.3440 2.5767 2.5767 3.3601 3.3601 k = 0.6143 0.2159-0.6968 ( 7530 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5494 -7.5494 -6.3928 -6.3928 -0.2291 -0.2291 -0.0043 -0.0043 1.1432 1.1432 1.3445 1.3445 2.5608 2.5608 3.3895 3.3895 k = 0.6333 0.2226-0.6831 ( 7525 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5501 -7.5501 -6.3926 -6.3926 -0.2375 -0.2375 0.0045 0.0045 1.1498 1.1498 1.3467 1.3467 2.5440 2.5440 3.4208 3.4208 k = 0.6523 0.2293-0.6694 ( 7531 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5509 -7.5509 -6.3922 -6.3922 -0.2444 -0.2444 0.0110 0.0110 1.1569 1.1569 1.3512 1.3512 2.5269 2.5269 3.4528 3.4528 k = 0.6523 0.2293-0.6694 ( 7531 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5509 -7.5509 -6.3922 -6.3922 -0.2444 -0.2444 0.0110 0.0110 1.1569 1.1569 1.3512 1.3512 2.5269 2.5269 3.4528 3.4528 k = 0.6473 0.2275-0.6434 ( 7528 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9052 -14.9052 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5514 -7.5514 -6.3958 -6.3958 -0.2341 -0.2341 0.0215 0.0215 1.1630 1.1630 1.3639 1.3639 2.5311 2.5311 3.4244 3.4244 k = 0.6422 0.2257-0.6174 ( 7532 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9052 -14.9052 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7227 -14.7227 -7.5524 -7.5524 -6.3998 -6.3998 -0.2210 -0.2210 0.0328 0.0328 1.1711 1.1711 1.3793 1.3793 2.5362 2.5362 3.3958 3.3958 k = 0.6371 0.2239-0.5914 ( 7527 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9052 -14.9052 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7227 -14.7227 -7.5538 -7.5538 -6.4041 -6.4041 -0.2054 -0.2054 0.0447 0.0447 1.1811 1.1811 1.3971 1.3971 2.5422 2.5422 3.3673 3.3673 k = 0.6320 0.2222-0.5655 ( 7526 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9052 -14.9052 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7227 -14.7227 -7.5555 -7.5555 -6.4088 -6.4088 -0.1874 -0.1874 0.0572 0.0572 1.1931 1.1931 1.4175 1.4175 2.5487 2.5487 3.3390 3.3390 k = 0.6270 0.2204-0.5395 ( 7528 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3809 -17.3809 -17.3441 -17.3441 -14.9053 -14.9053 -14.8939 -14.8939 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7227 -14.7227 -7.5577 -7.5577 -6.4138 -6.4138 -0.1671 -0.1671 0.0703 0.0703 1.2071 1.2071 1.4403 1.4403 2.5559 2.5559 3.3113 3.3113 k = 0.6219 0.2186-0.5135 ( 7528 PWs) bands (ev): -17.4550 -17.4550 -17.4479 -17.4479 -17.3809 -17.3809 -17.3441 -17.3441 -14.9053 -14.9053 -14.8939 -14.8939 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7228 -14.7228 -7.5602 -7.5602 -6.4192 -6.4192 -0.1451 -0.1451 0.0843 0.0843 1.2230 1.2230 1.4655 1.4655 2.5633 2.5633 3.2844 3.2844 k = 0.6168 0.2168-0.4875 ( 7532 PWs) bands (ev): -17.4551 -17.4551 -17.4479 -17.4479 -17.3809 -17.3809 -17.3441 -17.3441 -14.9054 -14.9054 -14.8939 -14.8939 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7228 -14.7228 -7.5631 -7.5631 -6.4247 -6.4247 -0.1215 -0.1215 0.0991 0.0991 1.2408 1.2408 1.4930 1.4930 2.5710 2.5710 3.2586 3.2586 k = 0.6117 0.2150-0.4616 ( 7534 PWs) bands (ev): -17.4551 -17.4551 -17.4479 -17.4479 -17.3809 -17.3809 -17.3441 -17.3441 -14.9054 -14.9054 -14.8940 -14.8940 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7228 -14.7228 -7.5662 -7.5662 -6.4305 -6.4305 -0.0969 -0.0969 0.1150 0.1150 1.2607 1.2607 1.5228 1.5228 2.5786 2.5786 3.2342 3.2342 k = 0.6066 0.2132-0.4356 ( 7546 PWs) bands (ev): -17.4551 -17.4551 -17.4479 -17.4479 -17.3809 -17.3809 -17.3441 -17.3441 -14.9054 -14.9054 -14.8940 -14.8940 -14.8561 -14.8561 -14.8437 -14.8437 -14.7763 -14.7763 -14.7229 -14.7229 -7.5696 -7.5696 -6.4364 -6.4364 -0.0718 -0.0718 0.1323 0.1323 1.2825 1.2825 1.5548 1.5548 2.5859 2.5859 3.2115 3.2115 k = 0.6016 0.2114-0.4096 ( 7549 PWs) bands (ev): -17.4551 -17.4551 -17.4479 -17.4479 -17.3809 -17.3809 -17.3441 -17.3441 -14.9055 -14.9055 -14.8941 -14.8941 -14.8561 -14.8561 -14.8437 -14.8437 -14.7762 -14.7762 -14.7229 -14.7229 -7.5731 -7.5731 -6.4425 -6.4425 -0.0470 -0.0470 0.1513 0.1513 1.3063 1.3063 1.5888 1.5888 2.5926 2.5926 3.1910 3.1910 k = 0.5965 0.2097-0.3837 ( 7551 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3809 -17.3809 -17.3442 -17.3442 -14.9055 -14.9055 -14.8941 -14.8941 -14.8561 -14.8561 -14.8437 -14.8437 -14.7762 -14.7762 -14.7229 -14.7229 -7.5769 -7.5769 -6.4486 -6.4486 -0.0231 -0.0231 0.1723 0.1723 1.3321 1.3321 1.6248 1.6248 2.5984 2.5984 3.1729 3.1729 k = 0.5914 0.2079-0.3577 ( 7551 PWs) bands (ev): -17.4551 -17.4551 -17.4480 -17.4480 -17.3809 -17.3809 -17.3442 -17.3442 -14.9056 -14.9056 -14.8941 -14.8941 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7230 -14.7230 -7.5808 -7.5808 -6.4547 -6.4547 -0.0007 -0.0007 0.1956 0.1956 1.3599 1.3599 1.6626 1.6626 2.6031 2.6031 3.1577 3.1577 k = 0.5863 0.2061-0.3317 ( 7556 PWs) bands (ev): -17.4552 -17.4552 -17.4480 -17.4480 -17.3809 -17.3809 -17.3442 -17.3442 -14.9056 -14.9056 -14.8942 -14.8942 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7230 -14.7230 -7.5847 -7.5847 -6.4609 -6.4609 0.0196 0.0196 0.2214 0.2214 1.3897 1.3897 1.7021 1.7021 2.6061 2.6061 3.1456 3.1456 k = 0.5813 0.2043-0.3057 ( 7551 PWs) bands (ev): -17.4552 -17.4552 -17.4480 -17.4480 -17.3809 -17.3809 -17.3442 -17.3442 -14.9057 -14.9057 -14.8942 -14.8942 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7230 -14.7230 -7.5887 -7.5887 -6.4669 -6.4669 0.0375 0.0375 0.2495 0.2495 1.4214 1.4214 1.7429 1.7429 2.6074 2.6074 3.1370 3.1370 k = 0.5762 0.2025-0.2798 ( 7555 PWs) bands (ev): -17.4552 -17.4552 -17.4480 -17.4480 -17.3809 -17.3809 -17.3442 -17.3442 -14.9058 -14.9058 -14.8943 -14.8943 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7231 -14.7231 -7.5927 -7.5927 -6.4729 -6.4729 0.0532 0.0532 0.2796 0.2796 1.4551 1.4551 1.7850 1.7850 2.6066 2.6066 3.1320 3.1320 k = 0.5711 0.2007-0.2538 ( 7553 PWs) bands (ev): -17.4552 -17.4552 -17.4481 -17.4481 -17.3809 -17.3809 -17.3442 -17.3442 -14.9058 -14.9058 -14.8943 -14.8943 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7231 -14.7231 -7.5967 -7.5967 -6.4787 -6.4787 0.0666 0.0666 0.3110 0.3110 1.4906 1.4906 1.8280 1.8280 2.6036 2.6036 3.1306 3.1306 k = 0.5660 0.1990-0.2278 ( 7534 PWs) bands (ev): -17.4552 -17.4552 -17.4481 -17.4481 -17.3809 -17.3809 -17.3442 -17.3442 -14.9059 -14.9059 -14.8944 -14.8944 -14.8561 -14.8561 -14.8438 -14.8438 -14.7762 -14.7762 -14.7231 -14.7231 -7.6006 -7.6006 -6.4843 -6.4843 0.0781 0.0781 0.3433 0.3433 1.5278 1.5278 1.8717 1.8717 2.5984 2.5984 3.1328 3.1328 k = 0.5609 0.1972-0.2018 ( 7536 PWs) bands (ev): -17.4553 -17.4553 -17.4481 -17.4481 -17.3809 -17.3809 -17.3442 -17.3442 -14.9059 -14.9059 -14.8944 -14.8944 -14.8561 -14.8561 -14.8438 -14.8438 -14.7761 -14.7761 -14.7232 -14.7232 -7.6044 -7.6044 -6.4897 -6.4897 0.0879 0.0879 0.3756 0.3756 1.5666 1.5666 1.9157 1.9157 2.5910 2.5910 3.1383 3.1383 k = 0.5559 0.1954-0.1759 ( 7539 PWs) bands (ev): -17.4553 -17.4553 -17.4481 -17.4481 -17.3809 -17.3809 -17.3442 -17.3442 -14.9060 -14.9060 -14.8945 -14.8945 -14.8561 -14.8561 -14.8438 -14.8438 -14.7761 -14.7761 -14.7232 -14.7232 -7.6080 -7.6080 -6.4948 -6.4948 0.0962 0.0962 0.4075 0.4075 1.6068 1.6068 1.9598 1.9598 2.5815 2.5815 3.1468 3.1468 k = 0.5508 0.1936-0.1499 ( 7543 PWs) bands (ev): -17.4553 -17.4553 -17.4481 -17.4481 -17.3809 -17.3809 -17.3442 -17.3442 -14.9060 -14.9060 -14.8945 -14.8945 -14.8561 -14.8561 -14.8438 -14.8438 -14.7761 -14.7761 -14.7232 -14.7232 -7.6114 -7.6114 -6.4995 -6.4995 0.1033 0.1033 0.4382 0.4382 1.6479 1.6479 2.0034 2.0034 2.5702 2.5702 3.1579 3.1579 k = 0.5457 0.1918-0.1239 ( 7543 PWs) bands (ev): -17.4553 -17.4553 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9060 -14.9060 -14.8945 -14.8945 -14.8560 -14.8560 -14.8438 -14.8438 -14.7761 -14.7761 -14.7233 -14.7233 -7.6146 -7.6146 -6.5040 -6.5040 0.1093 0.1093 0.4674 0.4674 1.6895 1.6895 2.0463 2.0463 2.5573 2.5573 3.1708 3.1708 k = 0.5406 0.1900-0.0979 ( 7540 PWs) bands (ev): -17.4553 -17.4553 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9061 -14.9061 -14.8946 -14.8946 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7233 -14.7233 -7.6176 -7.6176 -6.5080 -6.5080 0.1143 0.1143 0.4946 0.4946 1.7311 1.7311 2.0881 2.0881 2.5431 2.5431 3.1851 3.1851 k = 0.5355 0.1882-0.0720 ( 7539 PWs) bands (ev): -17.4553 -17.4553 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9061 -14.9061 -14.8946 -14.8946 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7233 -14.7233 -7.6203 -7.6203 -6.5117 -6.5117 0.1185 0.1185 0.5194 0.5194 1.7719 1.7719 2.1283 2.1283 2.5276 2.5276 3.2000 3.2000 k = 0.5305 0.1865-0.0460 ( 7533 PWs) bands (ev): -17.4553 -17.4553 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9061 -14.9061 -14.8946 -14.8946 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7233 -14.7233 -7.6226 -7.6226 -6.5149 -6.5149 0.1220 0.1220 0.5414 0.5414 1.8110 1.8110 2.1664 2.1664 2.5114 2.5114 3.2149 3.2149 k = 0.5254 0.1847-0.0200 ( 7532 PWs) bands (ev): -17.4553 -17.4553 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8946 -14.8946 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6247 -7.6247 -6.5177 -6.5177 0.1248 0.1248 0.5605 0.5605 1.8474 1.8474 2.2020 2.2020 2.4945 2.4945 3.2290 3.2290 k = 0.5203 0.1829 0.0059 ( 7548 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6264 -7.6264 -6.5199 -6.5199 0.1271 0.1271 0.5764 0.5764 1.8799 1.8799 2.2344 2.2344 2.4775 2.4775 3.2417 3.2417 k = 0.5152 0.1811 0.0319 ( 7557 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6277 -7.6277 -6.5217 -6.5217 0.1288 0.1288 0.5889 0.5889 1.9071 1.9071 2.2629 2.2629 2.4610 2.4610 3.2523 3.2523 k = 0.5102 0.1793 0.0579 ( 7565 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6287 -7.6287 -6.5230 -6.5230 0.1299 0.1299 0.5979 0.5979 1.9278 1.9278 2.2863 2.2863 2.4462 2.4462 3.2603 3.2603 k = 0.5051 0.1775 0.0839 ( 7566 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6293 -7.6293 -6.5238 -6.5238 0.1306 0.1306 0.6033 0.6033 1.9407 1.9407 2.3024 2.3024 2.4352 2.4352 3.2652 3.2652 k = 0.5000 0.1757 0.1098 ( 7568 PWs) bands (ev): -17.4554 -17.4554 -17.4482 -17.4482 -17.3809 -17.3809 -17.3442 -17.3442 -14.9062 -14.9062 -14.8947 -14.8947 -14.8560 -14.8560 -14.8439 -14.8439 -14.7761 -14.7761 -14.7234 -14.7234 -7.6295 -7.6295 -6.5241 -6.5241 0.1309 0.1309 0.6051 0.6051 1.9451 1.9451 2.3084 2.3084 2.4309 2.4309 3.2669 3.2669 k = 0.5000-0.6234-0.3896 ( 7526 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5642 -7.5642 -6.3587 -6.3587 -0.2519 -0.2519 -0.1945 -0.1945 1.2351 1.2351 1.4456 1.4456 2.3673 2.3673 3.8389 3.8389 k = 0.5218-0.6108-0.3818 ( 7537 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5641 -7.5641 -6.3590 -6.3590 -0.2554 -0.2554 -0.1891 -0.1891 1.2341 1.2341 1.4448 1.4448 2.3678 2.3678 3.8392 3.8392 k = 0.5435-0.5983-0.3739 ( 7542 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5638 -7.5638 -6.3598 -6.3598 -0.2633 -0.2633 -0.1757 -0.1757 1.2312 1.2312 1.4423 1.4423 2.3693 2.3693 3.8394 3.8394 k = 0.5653-0.5857-0.3661 ( 7536 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8439 -14.8439 -14.7766 -14.7766 -14.7225 -14.7225 -7.5632 -7.5632 -6.3611 -6.3611 -0.2719 -0.2719 -0.1580 -0.1580 1.2267 1.2267 1.4381 1.4381 2.3720 2.3720 3.8386 3.8386 k = 0.5871-0.5732-0.3582 ( 7526 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8438 -14.8438 -14.7766 -14.7766 -14.7225 -14.7225 -7.5625 -7.5625 -6.3629 -6.3629 -0.2794 -0.2794 -0.1382 -0.1382 1.2208 1.2208 1.4322 1.4322 2.3762 2.3762 3.8350 3.8350 k = 0.6088-0.5606-0.3504 ( 7515 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5616 -7.5616 -6.3651 -6.3651 -0.2852 -0.2852 -0.1172 -0.1172 1.2139 1.2139 1.4245 1.4245 2.3823 2.3823 3.8265 3.8265 k = 0.6306-0.5481-0.3425 ( 7512 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5605 -7.5605 -6.3677 -6.3677 -0.2889 -0.2889 -0.0959 -0.0959 1.2066 1.2066 1.4153 1.4153 2.3904 2.3904 3.8114 3.8114 k = 0.6523-0.5355-0.3347 ( 7517 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8559 -14.8559 -14.8438 -14.8438 -14.7765 -14.7765 -14.7225 -14.7225 -7.5593 -7.5593 -6.3706 -6.3706 -0.2905 -0.2905 -0.0749 -0.0749 1.1992 1.1992 1.4048 1.4048 2.4008 2.4008 3.7881 3.7881 k = 0.6741-0.5229-0.3268 ( 7529 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8560 -14.8560 -14.8438 -14.8438 -14.7765 -14.7765 -14.7226 -14.7226 -7.5580 -7.5580 -6.3737 -6.3737 -0.2899 -0.2899 -0.0549 -0.0549 1.1920 1.1920 1.3936 1.3936 2.4135 2.4135 3.7564 3.7564 k = 0.6959-0.5104-0.3190 ( 7536 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8560 -14.8560 -14.8438 -14.8438 -14.7765 -14.7765 -14.7226 -14.7226 -7.5567 -7.5567 -6.3770 -6.3770 -0.2871 -0.2871 -0.0366 -0.0366 1.1851 1.1851 1.3824 1.3824 2.4284 2.4284 3.7166 3.7166 k = 0.7176-0.4978-0.3111 ( 7530 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3810 -17.3810 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8560 -14.8560 -14.8438 -14.8438 -14.7765 -14.7765 -14.7226 -14.7226 -7.5553 -7.5553 -6.3803 -6.3803 -0.2822 -0.2822 -0.0205 -0.0205 1.1788 1.1788 1.3719 1.3719 2.4454 2.4454 3.6700 3.6700 k = 0.7394-0.4853-0.3033 ( 7536 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3440 -17.3440 -14.9051 -14.9051 -14.8938 -14.8938 -14.8560 -14.8560 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5540 -7.5540 -6.3836 -6.3836 -0.2754 -0.2754 -0.0073 -0.0073 1.1730 1.1730 1.3630 1.3630 2.4640 2.4640 3.6184 3.6184 k = 0.7612-0.4727-0.2955 ( 7541 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8938 -14.8938 -14.8560 -14.8560 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5528 -7.5528 -6.3867 -6.3867 -0.2667 -0.2667 0.0025 0.0025 1.1674 1.1674 1.3563 1.3563 2.4841 2.4841 3.5636 3.5636 k = 0.7829-0.4602-0.2876 ( 7533 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5518 -7.5518 -6.3896 -6.3896 -0.2563 -0.2563 0.0087 0.0087 1.1621 1.1621 1.3523 1.3523 2.5052 2.5052 3.5077 3.5077 k = 0.8047-0.4476-0.2798 ( 7531 PWs) bands (ev): -17.4550 -17.4550 -17.4478 -17.4478 -17.3809 -17.3809 -17.3441 -17.3441 -14.9051 -14.9051 -14.8938 -14.8938 -14.8561 -14.8561 -14.8437 -14.8437 -14.7764 -14.7764 -14.7226 -14.7226 -7.5509 -7.5509 -6.3922 -6.3922 -0.2444 -0.2444 0.0110 0.0110 1.1569 1.1569 1.3512 1.3512 2.5269 2.5269 3.4528 3.4528 Writing output data file Pb.save init_run : 0.26s CPU 0.38s WALL ( 1 calls) electrons : 178.31s CPU 179.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 178.30s CPU 179.82s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 232 calls) cegterg : 161.05s CPU 162.30s WALL ( 280 calls) Called by sum_band: Called by *egterg: h_psi : 117.54s CPU 119.07s WALL ( 4203 calls) s_psi : 0.83s CPU 0.85s WALL ( 4203 calls) g_psi : 0.11s CPU 0.08s WALL ( 3691 calls) cdiaghg : 47.69s CPU 47.77s WALL ( 3923 calls) cegterg:over : 4.16s CPU 4.10s WALL ( 3691 calls) cegterg:upda : 2.21s CPU 2.04s WALL ( 3691 calls) cegterg:last : 1.64s CPU 1.65s WALL ( 744 calls) cdiaghg:chol : 1.75s CPU 1.70s WALL ( 3923 calls) cdiaghg:inve : 0.57s CPU 0.59s WALL ( 3923 calls) cdiaghg:para : 5.10s CPU 5.31s WALL ( 7846 calls) Called by h_psi: h_psi:vloc : 114.64s CPU 116.21s WALL ( 4203 calls) h_psi:vnl : 2.83s CPU 2.79s WALL ( 4203 calls) add_vuspsi : 1.10s CPU 1.13s WALL ( 4203 calls) General routines calbec : 1.70s CPU 1.65s WALL ( 4203 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 111.76s CPU 113.25s WALL ( 301820 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.08s CPU 0.10s WALL ( 464 calls) Parallel routines fft_scatter : 86.62s CPU 87.87s WALL ( 301843 calls) PWSCF : 3m29.22s CPU 3m41.86s WALL This run was terminated on: 8:42:16 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=