Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:27:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ba3xAlSix2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 98 89 26 1774 1542 241 Max 99 90 27 1775 1552 242 Sum 3539 3225 941 63869 55675 8685 bravais-lattice index = 14 lattice parameter (alat) = 19.5126 a.u. unit-cell volume = 1410.4875 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 19.512624 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.917118 celldm(5)= -0.878931 celldm(6)= 0.796048 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.796048 0.605233 0.000000 ) a(3) = ( -0.878931 -0.359277 0.313689 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.315275 1.295492 ) b(2) = ( 0.000000 1.652256 1.892377 ) b(3) = ( 0.000000 0.000000 3.187869 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Ba 10.00 137.32700 Ba( 1.00) Al 3.00 26.98150 Al( 1.00) Si 4.00 28.08550 Si( 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= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( -0.0065384 0.0194030 0.0247463), wk = 0.0030120 k( 3) = ( -0.0130768 0.0388059 0.0494926), wk = 0.0030120 k( 4) = ( -0.0196153 0.0582089 0.0742389), wk = 0.0030120 k( 5) = ( -0.0261537 0.0776119 0.0989853), wk = 0.0030120 k( 6) = ( -0.0326921 0.0970148 0.1237315), wk = 0.0030120 k( 7) = ( -0.0392305 0.1164177 0.1484779), wk = 0.0030120 k( 8) = ( -0.0457689 0.1358207 0.1732242), wk = 0.0030120 k( 9) = ( -0.0523074 0.1552237 0.1979705), wk = 0.0030120 k( 10) = ( -0.0588458 0.1746266 0.2227168), wk = 0.0030120 k( 11) = ( -0.0653842 0.1940296 0.2474631), wk = 0.0030120 k( 12) = ( -0.0719226 0.2134326 0.2722094), wk = 0.0030120 k( 13) = ( -0.0784610 0.2328355 0.2969557), wk = 0.0030120 k( 14) = ( -0.0849995 0.2522385 0.3217021), wk = 0.0030120 k( 15) = ( -0.0915379 0.2716415 0.3464484), wk = 0.0030120 k( 16) = ( -0.0980763 0.2910444 0.3711947), wk = 0.0030120 k( 17) = ( -0.1046147 0.3104473 0.3959410), wk = 0.0030120 k( 18) = ( -0.1111531 0.3298503 0.4206873), wk = 0.0030120 k( 19) = ( -0.1176915 0.3492533 0.4454336), wk = 0.0030120 k( 20) = ( -0.1242300 0.3686562 0.4701799), wk = 0.0030120 k( 21) = ( -0.1307684 0.3880592 0.4949262), wk = 0.0030120 k( 22) = ( -0.1373068 0.4074622 0.5196725), wk = 0.0030120 k( 23) = ( -0.1438452 0.4268651 0.5444189), wk = 0.0030120 k( 24) = ( -0.1503836 0.4462681 0.5691652), wk = 0.0030120 k( 25) = ( -0.1569221 0.4656710 0.5939115), wk = 0.0030120 k( 26) = ( -0.1634605 0.4850740 0.6186578), wk = 0.0030120 k( 27) = ( -0.1699989 0.5044769 0.6434041), wk = 0.0030120 k( 28) = ( -0.1765373 0.5238799 0.6681504), wk = 0.0030120 k( 29) = ( -0.1830757 0.5432829 0.6928967), wk = 0.0030120 k( 30) = ( -0.1896142 0.5626858 0.7176430), wk = 0.0030120 k( 31) = ( -0.1961526 0.5820888 0.7423893), wk = 0.0030120 k( 32) = ( -0.2026910 0.6014918 0.7671357), wk = 0.0030120 k( 33) = ( -0.2092294 0.6208947 0.7918820), wk = 0.0030120 k( 34) = ( -0.2157678 0.6402977 0.8166283), wk = 0.0030120 k( 35) = ( -0.2223062 0.6597006 0.8413746), wk = 0.0030120 k( 36) = ( -0.2288447 0.6791036 0.8661209), wk = 0.0030120 k( 37) = ( -0.2353831 0.6985065 0.8908672), wk = 0.0030120 k( 38) = ( -0.2419215 0.7179095 0.9156135), wk = 0.0030120 k( 39) = ( -0.2484599 0.7373125 0.9403598), wk = 0.0030120 k( 40) = ( -0.2549983 0.7567154 0.9651061), wk = 0.0030120 k( 41) = ( -0.2615368 0.7761184 0.9898525), wk = 0.0030120 k( 42) = ( -0.2615368 0.7761184 0.9898525), wk = 0.0030120 k( 43) = ( -0.2534972 0.7522607 1.0106829), wk = 0.0030120 k( 44) = ( -0.2454576 0.7284030 1.0315133), wk = 0.0030120 k( 45) = ( -0.2374180 0.7045453 1.0523437), wk = 0.0030120 k( 46) = ( -0.2293784 0.6806876 1.0731741), wk = 0.0030120 k( 47) = ( -0.2213389 0.6568299 1.0940046), wk = 0.0030120 k( 48) = ( -0.2132993 0.6329722 1.1148350), wk = 0.0030120 k( 49) = ( -0.2052597 0.6091145 1.1356654), wk = 0.0030120 k( 50) = ( -0.1972201 0.5852568 1.1564958), wk = 0.0030120 k( 51) = ( -0.1891806 0.5613991 1.1773263), wk = 0.0030120 k( 52) = ( -0.1811410 0.5375414 1.1981567), wk = 0.0030120 k( 53) = ( -0.1731014 0.5136837 1.2189871), wk = 0.0030120 k( 54) = ( -0.1650618 0.4898260 1.2398175), wk = 0.0030120 k( 55) = ( -0.1570222 0.4659683 1.2606480), wk = 0.0030120 k( 56) = ( -0.1489826 0.4421106 1.2814784), wk = 0.0030120 k( 57) = ( -0.1409431 0.4182529 1.3023088), wk = 0.0030120 k( 58) = ( -0.1329035 0.3943952 1.3231392), wk = 0.0030120 k( 59) = ( -0.1248639 0.3705375 1.3439696), wk = 0.0030120 k( 60) = ( -0.1168243 0.3466798 1.3648000), wk = 0.0030120 k( 61) = ( -0.1087847 0.3228221 1.3856305), wk = 0.0030120 k( 62) = ( -0.1007452 0.2989644 1.4064609), wk = 0.0030120 k( 63) = ( -0.0927056 0.2751067 1.4272913), wk = 0.0030120 k( 64) = ( -0.0846660 0.2512490 1.4481217), wk = 0.0030120 k( 65) = ( -0.0766264 0.2273913 1.4689522), wk = 0.0030120 k( 66) = ( -0.0685869 0.2035336 1.4897826), wk = 0.0030120 k( 67) = ( -0.0605473 0.1796759 1.5106130), wk = 0.0030120 k( 68) = ( -0.0525077 0.1558182 1.5314434), wk = 0.0030120 k( 69) = ( -0.0444681 0.1319605 1.5522738), wk = 0.0030120 k( 70) = ( -0.0364285 0.1081028 1.5731043), wk = 0.0030120 k( 71) = ( -0.0283890 0.0842451 1.5939347), wk = 0.0030120 k( 72) = ( -0.0283890 0.0842451 1.5939347), wk = 0.0030120 k( 73) = ( -0.0189260 0.0561634 1.5939347), wk = 0.0030120 k( 74) = ( -0.0094630 0.0280817 1.5939347), wk = 0.0030120 k( 75) = ( 0.0000000 0.0000000 1.5939347), wk = 0.0030120 k( 76) = ( 0.0000000 0.0000000 1.5939347), wk = 0.0030120 k( 77) = ( 0.0277778 0.0093606 1.5939347), wk = 0.0030120 k( 78) = ( 0.0555556 0.0187211 1.5939347), wk = 0.0030120 k( 79) = ( 0.0833333 0.0280817 1.5939347), wk = 0.0030120 k( 80) = ( 0.1111111 0.0374423 1.5939347), wk = 0.0030120 k( 81) = ( 0.1388889 0.0468028 1.5939347), wk = 0.0030120 k( 82) = ( 0.1666667 0.0561634 1.5939347), wk = 0.0030120 k( 83) = ( 0.1944444 0.0655240 1.5939347), wk = 0.0030120 k( 84) = ( 0.2222222 0.0748846 1.5939347), wk = 0.0030120 k( 85) = ( 0.2500000 0.0842451 1.5939347), wk = 0.0030120 k( 86) = ( 0.2500000 0.0842451 1.5939347), wk = 0.0030120 k( 87) = ( 0.2419355 0.1081768 1.5730396), wk = 0.0030120 k( 88) = ( 0.2338710 0.1321085 1.5521446), wk = 0.0030120 k( 89) = ( 0.2258064 0.1560402 1.5312496), wk = 0.0030120 k( 90) = ( 0.2177419 0.1799719 1.5103546), wk = 0.0030120 k( 91) = ( 0.2096774 0.2039036 1.4894595), wk = 0.0030120 k( 92) = ( 0.2016129 0.2278353 1.4685645), wk = 0.0030120 k( 93) = ( 0.1935484 0.2517670 1.4476695), wk = 0.0030120 k( 94) = ( 0.1854839 0.2756987 1.4267744), wk = 0.0030120 k( 95) = ( 0.1774194 0.2996304 1.4058794), wk = 0.0030120 k( 96) = ( 0.1693548 0.3235621 1.3849844), wk = 0.0030120 k( 97) = ( 0.1612903 0.3474938 1.3640893), wk = 0.0030120 k( 98) = ( 0.1532258 0.3714255 1.3431943), wk = 0.0030120 k( 99) = ( 0.1451613 0.3953572 1.3222993), wk = 0.0030120 k( 100) = ( 0.1370968 0.4192889 1.3014042), wk = 0.0030120 k( 101) = ( 0.1290323 0.4432206 1.2805092), wk = 0.0030120 k( 102) = ( 0.1209677 0.4671523 1.2596142), wk = 0.0030120 k( 103) = ( 0.1129032 0.4910840 1.2387191), wk = 0.0030120 k( 104) = ( 0.1048387 0.5150157 1.2178241), wk = 0.0030120 k( 105) = ( 0.0967742 0.5389474 1.1969290), wk = 0.0030120 k( 106) = ( 0.0887097 0.5628791 1.1760340), wk = 0.0030120 k( 107) = ( 0.0806452 0.5868108 1.1551390), wk = 0.0030120 k( 108) = ( 0.0725806 0.6107425 1.1342440), wk = 0.0030120 k( 109) = ( 0.0645161 0.6346742 1.1133489), wk = 0.0030120 k( 110) = ( 0.0564516 0.6586059 1.0924539), wk = 0.0030120 k( 111) = ( 0.0483871 0.6825376 1.0715589), wk = 0.0030120 k( 112) = ( 0.0403226 0.7064693 1.0506638), wk = 0.0030120 k( 113) = ( 0.0322581 0.7304010 1.0297688), wk = 0.0030120 k( 114) = ( 0.0241936 0.7543327 1.0088738), wk = 0.0030120 k( 115) = ( 0.0161290 0.7782644 0.9879787), wk = 0.0030120 k( 116) = ( 0.0080645 0.8021961 0.9670837), wk = 0.0030120 k( 117) = ( 0.0000000 0.8261278 0.9461887), wk = 0.0030120 k( 118) = ( 0.0000000 0.8261278 0.9461887), wk = 0.0030120 k( 119) = ( 0.0290596 0.8316844 0.9413371), wk = 0.0030120 k( 120) = ( 0.0581193 0.8372410 0.9364856), wk = 0.0030120 k( 121) = ( 0.0871789 0.8427976 0.9316341), wk = 0.0030120 k( 122) = ( 0.1162386 0.8483542 0.9267825), wk = 0.0030120 k( 123) = ( 0.1452982 0.8539109 0.9219310), wk = 0.0030120 k( 124) = ( 0.1743578 0.8594674 0.9170794), wk = 0.0030120 k( 125) = ( 0.2034175 0.8650241 0.9122279), wk = 0.0030120 k( 126) = ( 0.2324771 0.8705807 0.9073764), wk = 0.0030120 k( 127) = ( 0.2615368 0.8761373 0.9025248), wk = 0.0030120 k( 128) = ( 0.2615368 0.8761373 0.9025248), wk = 0.0030120 k( 129) = ( 0.2681607 0.8564804 0.8774547), wk = 0.0030120 k( 130) = ( 0.2747847 0.8368235 0.8523846), wk = 0.0030120 k( 131) = ( 0.2814087 0.8171667 0.8273145), wk = 0.0030120 k( 132) = ( 0.2880327 0.7975098 0.8022443), wk = 0.0030120 k( 133) = ( 0.2946567 0.7778530 0.7771742), wk = 0.0030120 k( 134) = ( 0.3012806 0.7581961 0.7521041), wk = 0.0030120 k( 135) = ( 0.3079046 0.7385392 0.7270339), wk = 0.0030120 k( 136) = ( 0.3145286 0.7188824 0.7019638), wk = 0.0030120 k( 137) = ( 0.3211526 0.6992255 0.6768936), wk = 0.0030120 k( 138) = ( 0.3277765 0.6795686 0.6518235), wk = 0.0030120 k( 139) = ( 0.3344005 0.6599118 0.6267534), wk = 0.0030120 k( 140) = ( 0.3410245 0.6402549 0.6016832), wk = 0.0030120 k( 141) = ( 0.3476485 0.6205981 0.5766131), wk = 0.0030120 k( 142) = ( 0.3542725 0.6009412 0.5515430), wk = 0.0030120 k( 143) = ( 0.3608964 0.5812843 0.5264728), wk = 0.0030120 k( 144) = ( 0.3675204 0.5616275 0.5014027), wk = 0.0030120 k( 145) = ( 0.3741444 0.5419706 0.4763326), wk = 0.0030120 k( 146) = ( 0.3807684 0.5223138 0.4512624), wk = 0.0030120 k( 147) = ( 0.3873924 0.5026569 0.4261923), wk = 0.0030120 k( 148) = ( 0.3940163 0.4830000 0.4011221), wk = 0.0030120 k( 149) = ( 0.4006403 0.4633432 0.3760520), wk = 0.0030120 k( 150) = ( 0.4072643 0.4436863 0.3509819), wk = 0.0030120 k( 151) = ( 0.4138883 0.4240295 0.3259118), wk = 0.0030120 k( 152) = ( 0.4205122 0.4043726 0.3008416), wk = 0.0030120 k( 153) = ( 0.4271362 0.3847157 0.2757715), wk = 0.0030120 k( 154) = ( 0.4337602 0.3650589 0.2507014), wk = 0.0030120 k( 155) = ( 0.4403842 0.3454020 0.2256312), wk = 0.0030120 k( 156) = ( 0.4470082 0.3257451 0.2005611), wk = 0.0030120 k( 157) = ( 0.4536322 0.3060883 0.1754909), wk = 0.0030120 k( 158) = ( 0.4602561 0.2864314 0.1504208), wk = 0.0030120 k( 159) = ( 0.4668801 0.2667745 0.1253507), wk = 0.0030120 k( 160) = ( 0.4735041 0.2471177 0.1002806), wk = 0.0030120 k( 161) = ( 0.4801281 0.2274608 0.0752104), wk = 0.0030120 k( 162) = ( 0.4867520 0.2078040 0.0501403), wk = 0.0030120 k( 163) = ( 0.4933760 0.1881471 0.0250701), wk = 0.0030120 k( 164) = ( 0.5000000 0.1684902 -0.0000000), wk = 0.0030120 k( 165) = ( 0.5000000 0.1684902 -0.0000000), wk = 0.0030120 k( 166) = ( 0.4705882 0.1585791 -0.0000000), wk = 0.0030120 k( 167) = ( 0.4411765 0.1486679 -0.0000000), wk = 0.0030120 k( 168) = ( 0.4117647 0.1387567 -0.0000000), wk = 0.0030120 k( 169) = ( 0.3823529 0.1288455 -0.0000000), wk = 0.0030120 k( 170) = ( 0.3529412 0.1189343 -0.0000000), wk = 0.0030120 k( 171) = ( 0.3235294 0.1090231 -0.0000000), wk = 0.0030120 k( 172) = ( 0.2941177 0.0991119 -0.0000000), wk = 0.0030120 k( 173) = ( 0.2647059 0.0892007 -0.0000000), wk = 0.0030120 k( 174) = ( 0.2352941 0.0792895 -0.0000000), wk = 0.0030120 k( 175) = ( 0.2058823 0.0693783 -0.0000000), wk = 0.0030120 k( 176) = ( 0.1764706 0.0594671 -0.0000000), wk = 0.0030120 k( 177) = ( 0.1470588 0.0495560 -0.0000000), wk = 0.0030120 k( 178) = ( 0.1176471 0.0396448 -0.0000000), wk = 0.0030120 k( 179) = ( 0.0882353 0.0297336 -0.0000000), wk = 0.0030120 k( 180) = ( 0.0588235 0.0198224 -0.0000000), wk = 0.0030120 k( 181) = ( 0.0294118 0.0099112 -0.0000000), wk = 0.0030120 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 184) = ( 0.0080864 -0.0239967 0.0209518), wk = 0.0030120 k( 185) = ( 0.0161729 -0.0479935 0.0419036), wk = 0.0030120 k( 186) = ( 0.0242593 -0.0719902 0.0628554), wk = 0.0030120 k( 187) = ( 0.0323457 -0.0959869 0.0838072), wk = 0.0030120 k( 188) = ( 0.0404322 -0.1199837 0.1047591), wk = 0.0030120 k( 189) = ( 0.0485186 -0.1439804 0.1257109), wk = 0.0030120 k( 190) = ( 0.0566050 -0.1679771 0.1466627), wk = 0.0030120 k( 191) = ( 0.0646914 -0.1919738 0.1676145), wk = 0.0030120 k( 192) = ( 0.0727779 -0.2159706 0.1885663), wk = 0.0030120 k( 193) = ( 0.0808643 -0.2399673 0.2095181), wk = 0.0030120 k( 194) = ( 0.0889507 -0.2639641 0.2304700), wk = 0.0030120 k( 195) = ( 0.0970372 -0.2879608 0.2514218), wk = 0.0030120 k( 196) = ( 0.1051236 -0.3119575 0.2723736), wk = 0.0030120 k( 197) = ( 0.1132100 -0.3359543 0.2933254), wk = 0.0030120 k( 198) = ( 0.1212965 -0.3599510 0.3142772), wk = 0.0030120 k( 199) = ( 0.1293829 -0.3839477 0.3352290), wk = 0.0030120 k( 200) = ( 0.1374693 -0.4079444 0.3561808), wk = 0.0030120 k( 201) = ( 0.1455558 -0.4319412 0.3771326), wk = 0.0030120 k( 202) = ( 0.1536422 -0.4559379 0.3980845), wk = 0.0030120 k( 203) = ( 0.1617286 -0.4799346 0.4190363), wk = 0.0030120 k( 204) = ( 0.1698150 -0.5039314 0.4399881), wk = 0.0030120 k( 205) = ( 0.1779015 -0.5279281 0.4609399), wk = 0.0030120 k( 206) = ( 0.1859879 -0.5519248 0.4818917), wk = 0.0030120 k( 207) = ( 0.1940743 -0.5759216 0.5028435), wk = 0.0030120 k( 208) = ( 0.2021608 -0.5999183 0.5237953), wk = 0.0030120 k( 209) = ( 0.2102472 -0.6239150 0.5447471), wk = 0.0030120 k( 210) = ( 0.2183336 -0.6479117 0.5656989), wk = 0.0030120 k( 211) = ( 0.2264201 -0.6719085 0.5866508), wk = 0.0030120 k( 212) = ( 0.2345065 -0.6959052 0.6076026), wk = 0.0030120 k( 213) = ( 0.2425929 -0.7199019 0.6285544), wk = 0.0030120 k( 214) = ( 0.2506793 -0.7438987 0.6495062), wk = 0.0030120 k( 215) = ( 0.2587658 -0.7678954 0.6704580), wk = 0.0030120 k( 216) = ( 0.2668522 -0.7918922 0.6914098), wk = 0.0030120 k( 217) = ( 0.2668522 -0.7918922 0.6914098), wk = 0.0030120 k( 218) = ( 0.2927575 -0.7769750 0.6865583), wk = 0.0030120 k( 219) = ( 0.3186628 -0.7620578 0.6817068), wk = 0.0030120 k( 220) = ( 0.3445681 -0.7471406 0.6768552), wk = 0.0030120 k( 221) = ( 0.3704734 -0.7322235 0.6720037), wk = 0.0030120 k( 222) = ( 0.3963788 -0.7173063 0.6671522), wk = 0.0030120 k( 223) = ( 0.4222841 -0.7023891 0.6623006), wk = 0.0030120 k( 224) = ( 0.4481894 -0.6874719 0.6574491), wk = 0.0030120 k( 225) = ( 0.4740947 -0.6725548 0.6525976), wk = 0.0030120 k( 226) = ( 0.5000000 -0.6576376 0.6477460), wk = 0.0030120 k( 227) = ( 0.5000000 -0.6576376 0.6477460), wk = 0.0030120 k( 228) = ( 0.4934211 -0.6381143 0.6726457), wk = 0.0030120 k( 229) = ( 0.4868421 -0.6185911 0.6975454), wk = 0.0030120 k( 230) = ( 0.4802632 -0.5990679 0.7224451), wk = 0.0030120 k( 231) = ( 0.4736842 -0.5795447 0.7473448), wk = 0.0030120 k( 232) = ( 0.4671053 -0.5600214 0.7722446), wk = 0.0030120 k( 233) = ( 0.4605263 -0.5404982 0.7971442), wk = 0.0030120 k( 234) = ( 0.4539474 -0.5209750 0.8220439), wk = 0.0030120 k( 235) = ( 0.4473684 -0.5014517 0.8469436), wk = 0.0030120 k( 236) = ( 0.4407895 -0.4819285 0.8718434), wk = 0.0030120 k( 237) = ( 0.4342105 -0.4624053 0.8967430), wk = 0.0030120 k( 238) = ( 0.4276316 -0.4428821 0.9216427), wk = 0.0030120 k( 239) = ( 0.4210526 -0.4233588 0.9465425), wk = 0.0030120 k( 240) = ( 0.4144737 -0.4038356 0.9714422), wk = 0.0030120 k( 241) = ( 0.4078947 -0.3843124 0.9963418), wk = 0.0030120 k( 242) = ( 0.4013158 -0.3647891 1.0212416), wk = 0.0030120 k( 243) = ( 0.3947368 -0.3452659 1.0461413), wk = 0.0030120 k( 244) = ( 0.3881579 -0.3257427 1.0710410), wk = 0.0030120 k( 245) = ( 0.3815789 -0.3062195 1.0959406), wk = 0.0030120 k( 246) = ( 0.3750000 -0.2866962 1.1208404), wk = 0.0030120 k( 247) = ( 0.3684211 -0.2671730 1.1457401), wk = 0.0030120 k( 248) = ( 0.3618421 -0.2476498 1.1706397), wk = 0.0030120 k( 249) = ( 0.3552632 -0.2281265 1.1955395), wk = 0.0030120 k( 250) = ( 0.3486842 -0.2086033 1.2204392), wk = 0.0030120 k( 251) = ( 0.3421053 -0.1890801 1.2453389), wk = 0.0030120 k( 252) = ( 0.3355263 -0.1695569 1.2702386), wk = 0.0030120 k( 253) = ( 0.3289474 -0.1500336 1.2951383), wk = 0.0030120 k( 254) = ( 0.3223684 -0.1305104 1.3200380), wk = 0.0030120 k( 255) = ( 0.3157895 -0.1109872 1.3449377), wk = 0.0030120 k( 256) = ( 0.3092105 -0.0914639 1.3698374), wk = 0.0030120 k( 257) = ( 0.3026316 -0.0719407 1.3947371), wk = 0.0030120 k( 258) = ( 0.2960526 -0.0524175 1.4196368), wk = 0.0030120 k( 259) = ( 0.2894737 -0.0328942 1.4445365), wk = 0.0030120 k( 260) = ( 0.2828947 -0.0133710 1.4694362), wk = 0.0030120 k( 261) = ( 0.2763158 0.0061522 1.4943359), wk = 0.0030120 k( 262) = ( 0.2697368 0.0256754 1.5192356), wk = 0.0030120 k( 263) = ( 0.2631579 0.0451987 1.5441353), wk = 0.0030120 k( 264) = ( 0.2565789 0.0647219 1.5690350), wk = 0.0030120 k( 265) = ( 0.2500000 0.0842451 1.5939347), wk = 0.0030120 k( 266) = ( 0.0283890 -0.0842451 1.5939347), wk = 0.0030120 k( 267) = ( 0.0350129 -0.1039020 1.5688646), wk = 0.0030120 k( 268) = ( 0.0416369 -0.1235588 1.5437944), wk = 0.0030120 k( 269) = ( 0.0482609 -0.1432157 1.5187243), wk = 0.0030120 k( 270) = ( 0.0548849 -0.1628726 1.4936541), wk = 0.0030120 k( 271) = ( 0.0615089 -0.1825294 1.4685840), wk = 0.0030120 k( 272) = ( 0.0681328 -0.2021863 1.4435139), wk = 0.0030120 k( 273) = ( 0.0747568 -0.2218432 1.4184438), wk = 0.0030120 k( 274) = ( 0.0813808 -0.2415000 1.3933736), wk = 0.0030120 k( 275) = ( 0.0880048 -0.2611569 1.3683035), wk = 0.0030120 k( 276) = ( 0.0946287 -0.2808137 1.3432333), wk = 0.0030120 k( 277) = ( 0.1012527 -0.3004706 1.3181632), wk = 0.0030120 k( 278) = ( 0.1078767 -0.3201275 1.2930931), wk = 0.0030120 k( 279) = ( 0.1145007 -0.3397843 1.2680229), wk = 0.0030120 k( 280) = ( 0.1211247 -0.3594412 1.2429528), wk = 0.0030120 k( 281) = ( 0.1277486 -0.3790981 1.2178827), wk = 0.0030120 k( 282) = ( 0.1343726 -0.3987549 1.1928125), wk = 0.0030120 k( 283) = ( 0.1409966 -0.4184118 1.1677424), wk = 0.0030120 k( 284) = ( 0.1476206 -0.4380686 1.1426723), wk = 0.0030120 k( 285) = ( 0.1542446 -0.4577255 1.1176021), wk = 0.0030120 k( 286) = ( 0.1608685 -0.4773824 1.0925320), wk = 0.0030120 k( 287) = ( 0.1674925 -0.4970392 1.0674619), wk = 0.0030120 k( 288) = ( 0.1741165 -0.5166961 1.0423917), wk = 0.0030120 k( 289) = ( 0.1807405 -0.5363529 1.0173216), wk = 0.0030120 k( 290) = ( 0.1873645 -0.5560098 0.9922514), wk = 0.0030120 k( 291) = ( 0.1939884 -0.5756667 0.9671813), wk = 0.0030120 k( 292) = ( 0.2006124 -0.5953235 0.9421112), wk = 0.0030120 k( 293) = ( 0.2072364 -0.6149804 0.9170411), wk = 0.0030120 k( 294) = ( 0.2138604 -0.6346372 0.8919709), wk = 0.0030120 k( 295) = ( 0.2204843 -0.6542941 0.8669008), wk = 0.0030120 k( 296) = ( 0.2271083 -0.6739510 0.8418306), wk = 0.0030120 k( 297) = ( 0.2337323 -0.6936078 0.8167605), wk = 0.0030120 k( 298) = ( 0.2403563 -0.7132647 0.7916904), wk = 0.0030120 k( 299) = ( 0.2469803 -0.7329216 0.7666202), wk = 0.0030120 k( 300) = ( 0.2536042 -0.7525784 0.7415501), wk = 0.0030120 k( 301) = ( 0.2602282 -0.7722353 0.7164799), wk = 0.0030120 k( 302) = ( 0.2668522 -0.7918922 0.6914098), wk = 0.0030120 k( 303) = ( 0.7331478 -0.5233830 0.6040822), wk = 0.0030120 k( 304) = ( 0.7251082 -0.4995253 0.5832518), wk = 0.0030120 k( 305) = ( 0.7170686 -0.4756676 0.5624214), wk = 0.0030120 k( 306) = ( 0.7090291 -0.4518099 0.5415910), wk = 0.0030120 k( 307) = ( 0.7009895 -0.4279522 0.5207606), wk = 0.0030120 k( 308) = ( 0.6929499 -0.4040945 0.4999301), wk = 0.0030120 k( 309) = ( 0.6849103 -0.3802368 0.4790997), wk = 0.0030120 k( 310) = ( 0.6768707 -0.3563791 0.4582693), wk = 0.0030120 k( 311) = ( 0.6688312 -0.3325214 0.4374389), wk = 0.0030120 k( 312) = ( 0.6607916 -0.3086637 0.4166084), wk = 0.0030120 k( 313) = ( 0.6527520 -0.2848060 0.3957780), wk = 0.0030120 k( 314) = ( 0.6447124 -0.2609483 0.3749476), wk = 0.0030120 k( 315) = ( 0.6366728 -0.2370906 0.3541172), wk = 0.0030120 k( 316) = ( 0.6286333 -0.2132329 0.3332868), wk = 0.0030120 k( 317) = ( 0.6205937 -0.1893752 0.3124563), wk = 0.0030120 k( 318) = ( 0.6125541 -0.1655175 0.2916259), wk = 0.0030120 k( 319) = ( 0.6045145 -0.1416598 0.2707955), wk = 0.0030120 k( 320) = ( 0.5964749 -0.1178021 0.2499651), wk = 0.0030120 k( 321) = ( 0.5884354 -0.0939444 0.2291346), wk = 0.0030120 k( 322) = ( 0.5803958 -0.0700867 0.2083042), wk = 0.0030120 k( 323) = ( 0.5723562 -0.0462290 0.1874738), wk = 0.0030120 k( 324) = ( 0.5643166 -0.0223713 0.1666434), wk = 0.0030120 k( 325) = ( 0.5562771 0.0014864 0.1458129), wk = 0.0030120 k( 326) = ( 0.5482375 0.0253441 0.1249825), wk = 0.0030120 k( 327) = ( 0.5401979 0.0492017 0.1041521), wk = 0.0030120 k( 328) = ( 0.5321583 0.0730594 0.0833217), wk = 0.0030120 k( 329) = ( 0.5241187 0.0969171 0.0624913), wk = 0.0030120 k( 330) = ( 0.5160792 0.1207748 0.0416608), wk = 0.0030120 k( 331) = ( 0.5080396 0.1446325 0.0208304), wk = 0.0030120 k( 332) = ( 0.5000000 0.1684902 -0.0000000), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( -0.0065384 0.0065384 0.0065384), wk = 0.0030120 k( 3) = ( -0.0130768 0.0130768 0.0130768), wk = 0.0030120 k( 4) = ( -0.0196153 0.0196153 0.0196153), wk = 0.0030120 k( 5) = ( -0.0261537 0.0261537 0.0261537), wk = 0.0030120 k( 6) = ( -0.0326921 0.0326921 0.0326921), wk = 0.0030120 k( 7) = ( -0.0392305 0.0392305 0.0392305), wk = 0.0030120 k( 8) = ( -0.0457689 0.0457689 0.0457689), wk = 0.0030120 k( 9) = ( -0.0523074 0.0523074 0.0523073), wk = 0.0030120 k( 10) = ( -0.0588458 0.0588458 0.0588458), wk = 0.0030120 k( 11) = ( -0.0653842 0.0653842 0.0653842), wk = 0.0030120 k( 12) = ( -0.0719226 0.0719226 0.0719226), wk = 0.0030120 k( 13) = ( -0.0784610 0.0784610 0.0784610), wk = 0.0030120 k( 14) = ( -0.0849995 0.0849995 0.0849994), wk = 0.0030120 k( 15) = ( -0.0915379 0.0915379 0.0915379), wk = 0.0030120 k( 16) = ( -0.0980763 0.0980763 0.0980763), wk = 0.0030120 k( 17) = ( -0.1046147 0.1046147 0.1046147), wk = 0.0030120 k( 18) = ( -0.1111531 0.1111531 0.1111531), wk = 0.0030120 k( 19) = ( -0.1176915 0.1176915 0.1176915), wk = 0.0030120 k( 20) = ( -0.1242300 0.1242300 0.1242300), wk = 0.0030120 k( 21) = ( -0.1307684 0.1307684 0.1307684), wk = 0.0030120 k( 22) = ( -0.1373068 0.1373068 0.1373068), wk = 0.0030120 k( 23) = ( -0.1438452 0.1438452 0.1438452), wk = 0.0030120 k( 24) = ( -0.1503836 0.1503836 0.1503836), wk = 0.0030120 k( 25) = ( -0.1569221 0.1569221 0.1569221), wk = 0.0030120 k( 26) = ( -0.1634605 0.1634605 0.1634605), wk = 0.0030120 k( 27) = ( -0.1699989 0.1699989 0.1699989), wk = 0.0030120 k( 28) = ( -0.1765373 0.1765373 0.1765373), wk = 0.0030120 k( 29) = ( -0.1830757 0.1830757 0.1830757), wk = 0.0030120 k( 30) = ( -0.1896142 0.1896141 0.1896142), wk = 0.0030120 k( 31) = ( -0.1961526 0.1961526 0.1961526), wk = 0.0030120 k( 32) = ( -0.2026910 0.2026910 0.2026910), wk = 0.0030120 k( 33) = ( -0.2092294 0.2092294 0.2092294), wk = 0.0030120 k( 34) = ( -0.2157678 0.2157678 0.2157678), wk = 0.0030120 k( 35) = ( -0.2223062 0.2223062 0.2223062), wk = 0.0030120 k( 36) = ( -0.2288447 0.2288447 0.2288447), wk = 0.0030120 k( 37) = ( -0.2353831 0.2353831 0.2353831), wk = 0.0030120 k( 38) = ( -0.2419215 0.2419215 0.2419215), wk = 0.0030120 k( 39) = ( -0.2484599 0.2484599 0.2484599), wk = 0.0030120 k( 40) = ( -0.2549983 0.2549983 0.2549983), wk = 0.0030120 k( 41) = ( -0.2615368 0.2615368 0.2615368), wk = 0.0030120 k( 42) = ( -0.2615368 0.2615368 0.2615368), wk = 0.0030120 k( 43) = ( -0.2534972 0.2534972 0.2695763), wk = 0.0030120 k( 44) = ( -0.2454576 0.2454576 0.2776159), wk = 0.0030120 k( 45) = ( -0.2374180 0.2374180 0.2856555), wk = 0.0030120 k( 46) = ( -0.2293784 0.2293784 0.2936951), wk = 0.0030120 k( 47) = ( -0.2213389 0.2213389 0.3017346), wk = 0.0030120 k( 48) = ( -0.2132993 0.2132993 0.3097742), wk = 0.0030120 k( 49) = ( -0.2052597 0.2052597 0.3178138), wk = 0.0030120 k( 50) = ( -0.1972201 0.1972201 0.3258534), wk = 0.0030120 k( 51) = ( -0.1891806 0.1891806 0.3338930), wk = 0.0030120 k( 52) = ( -0.1811410 0.1811410 0.3419326), wk = 0.0030120 k( 53) = ( -0.1731014 0.1731014 0.3499721), wk = 0.0030120 k( 54) = ( -0.1650618 0.1650618 0.3580117), wk = 0.0030120 k( 55) = ( -0.1570222 0.1570222 0.3660513), wk = 0.0030120 k( 56) = ( -0.1489826 0.1489826 0.3740909), wk = 0.0030120 k( 57) = ( -0.1409431 0.1409431 0.3821304), wk = 0.0030120 k( 58) = ( -0.1329035 0.1329035 0.3901700), wk = 0.0030120 k( 59) = ( -0.1248639 0.1248639 0.3982096), wk = 0.0030120 k( 60) = ( -0.1168243 0.1168243 0.4062492), wk = 0.0030120 k( 61) = ( -0.1087847 0.1087847 0.4142888), wk = 0.0030120 k( 62) = ( -0.1007452 0.1007452 0.4223283), wk = 0.0030120 k( 63) = ( -0.0927056 0.0927056 0.4303679), wk = 0.0030120 k( 64) = ( -0.0846660 0.0846660 0.4384075), wk = 0.0030120 k( 65) = ( -0.0766264 0.0766264 0.4464471), wk = 0.0030120 k( 66) = ( -0.0685869 0.0685869 0.4544867), wk = 0.0030120 k( 67) = ( -0.0605473 0.0605473 0.4625262), wk = 0.0030120 k( 68) = ( -0.0525077 0.0525077 0.4705658), wk = 0.0030120 k( 69) = ( -0.0444681 0.0444681 0.4786054), wk = 0.0030120 k( 70) = ( -0.0364285 0.0364285 0.4866450), wk = 0.0030120 k( 71) = ( -0.0283890 0.0283890 0.4946846), wk = 0.0030120 k( 72) = ( -0.0283890 0.0283890 0.4946846), wk = 0.0030120 k( 73) = ( -0.0189260 0.0189260 0.4964564), wk = 0.0030120 k( 74) = ( -0.0094630 0.0094630 0.4982282), wk = 0.0030120 k( 75) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 76) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 77) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0030120 k( 78) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0030120 k( 79) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0030120 k( 80) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0030120 k( 81) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0030120 k( 82) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0030120 k( 83) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0030120 k( 84) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0030120 k( 85) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 k( 86) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 k( 87) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0030120 k( 88) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0030120 k( 89) = ( 0.2258064 0.2741936 0.2258064), wk = 0.0030120 k( 90) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0030120 k( 91) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0030120 k( 92) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0030120 k( 93) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0030120 k( 94) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0030120 k( 95) = ( 0.1774194 0.3225807 0.1774193), wk = 0.0030120 k( 96) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0030120 k( 97) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0030120 k( 98) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0030120 k( 99) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0030120 k( 100) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0030120 k( 101) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0030120 k( 102) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0030120 k( 103) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0030120 k( 104) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0030120 k( 105) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0030120 k( 106) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0030120 k( 107) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0030120 k( 108) = ( 0.0725806 0.4274194 0.0725807), wk = 0.0030120 k( 109) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0030120 k( 110) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0030120 k( 111) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0030120 k( 112) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0030120 k( 113) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0030120 k( 114) = ( 0.0241936 0.4758064 0.0241935), wk = 0.0030120 k( 115) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0030120 k( 116) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0030120 k( 117) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030120 k( 118) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030120 k( 119) = ( 0.0290596 0.5264959 -0.0290596), wk = 0.0030120 k( 120) = ( 0.0581193 0.5529918 -0.0581193), wk = 0.0030120 k( 121) = ( 0.0871789 0.5794878 -0.0871789), wk = 0.0030120 k( 122) = ( 0.1162386 0.6059837 -0.1162386), wk = 0.0030120 k( 123) = ( 0.1452982 0.6324796 -0.1452982), wk = 0.0030120 k( 124) = ( 0.1743578 0.6589755 -0.1743578), wk = 0.0030120 k( 125) = ( 0.2034175 0.6854714 -0.2034175), wk = 0.0030120 k( 126) = ( 0.2324771 0.7119673 -0.2324771), wk = 0.0030120 k( 127) = ( 0.2615368 0.7384632 -0.2615368), wk = 0.0030120 k( 128) = ( 0.2615368 0.7384632 -0.2615368), wk = 0.0030120 k( 129) = ( 0.2681607 0.7318393 -0.2681607), wk = 0.0030120 k( 130) = ( 0.2747847 0.7252153 -0.2747847), wk = 0.0030120 k( 131) = ( 0.2814087 0.7185913 -0.2814087), wk = 0.0030120 k( 132) = ( 0.2880327 0.7119673 -0.2880327), wk = 0.0030120 k( 133) = ( 0.2946567 0.7053434 -0.2946567), wk = 0.0030120 k( 134) = ( 0.3012806 0.6987194 -0.3012806), wk = 0.0030120 k( 135) = ( 0.3079046 0.6920954 -0.3079046), wk = 0.0030120 k( 136) = ( 0.3145286 0.6854714 -0.3145286), wk = 0.0030120 k( 137) = ( 0.3211526 0.6788474 -0.3211526), wk = 0.0030120 k( 138) = ( 0.3277765 0.6722235 -0.3277766), wk = 0.0030120 k( 139) = ( 0.3344005 0.6655995 -0.3344005), wk = 0.0030120 k( 140) = ( 0.3410245 0.6589755 -0.3410245), wk = 0.0030120 k( 141) = ( 0.3476485 0.6523515 -0.3476485), wk = 0.0030120 k( 142) = ( 0.3542725 0.6457275 -0.3542725), wk = 0.0030120 k( 143) = ( 0.3608964 0.6391036 -0.3608964), wk = 0.0030120 k( 144) = ( 0.3675204 0.6324796 -0.3675204), wk = 0.0030120 k( 145) = ( 0.3741444 0.6258556 -0.3741444), wk = 0.0030120 k( 146) = ( 0.3807684 0.6192316 -0.3807684), wk = 0.0030120 k( 147) = ( 0.3873924 0.6126076 -0.3873924), wk = 0.0030120 k( 148) = ( 0.3940163 0.6059837 -0.3940163), wk = 0.0030120 k( 149) = ( 0.4006403 0.5993597 -0.4006403), wk = 0.0030120 k( 150) = ( 0.4072643 0.5927357 -0.4072643), wk = 0.0030120 k( 151) = ( 0.4138883 0.5861117 -0.4138883), wk = 0.0030120 k( 152) = ( 0.4205122 0.5794878 -0.4205123), wk = 0.0030120 k( 153) = ( 0.4271362 0.5728638 -0.4271362), wk = 0.0030120 k( 154) = ( 0.4337602 0.5662398 -0.4337602), wk = 0.0030120 k( 155) = ( 0.4403842 0.5596158 -0.4403842), wk = 0.0030120 k( 156) = ( 0.4470082 0.5529918 -0.4470082), wk = 0.0030120 k( 157) = ( 0.4536322 0.5463678 -0.4536322), wk = 0.0030120 k( 158) = ( 0.4602561 0.5397439 -0.4602561), wk = 0.0030120 k( 159) = ( 0.4668801 0.5331199 -0.4668801), wk = 0.0030120 k( 160) = ( 0.4735041 0.5264959 -0.4735041), wk = 0.0030120 k( 161) = ( 0.4801281 0.5198719 -0.4801281), wk = 0.0030120 k( 162) = ( 0.4867520 0.5132480 -0.4867520), wk = 0.0030120 k( 163) = ( 0.4933760 0.5066240 -0.4933760), wk = 0.0030120 k( 164) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 k( 165) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 k( 166) = ( 0.4705882 0.4705882 -0.4705882), wk = 0.0030120 k( 167) = ( 0.4411765 0.4411765 -0.4411765), wk = 0.0030120 k( 168) = ( 0.4117647 0.4117647 -0.4117647), wk = 0.0030120 k( 169) = ( 0.3823529 0.3823529 -0.3823529), wk = 0.0030120 k( 170) = ( 0.3529412 0.3529412 -0.3529412), wk = 0.0030120 k( 171) = ( 0.3235294 0.3235294 -0.3235294), wk = 0.0030120 k( 172) = ( 0.2941177 0.2941177 -0.2941177), wk = 0.0030120 k( 173) = ( 0.2647059 0.2647059 -0.2647059), wk = 0.0030120 k( 174) = ( 0.2352941 0.2352941 -0.2352941), wk = 0.0030120 k( 175) = ( 0.2058823 0.2058823 -0.2058824), wk = 0.0030120 k( 176) = ( 0.1764706 0.1764706 -0.1764706), wk = 0.0030120 k( 177) = ( 0.1470588 0.1470588 -0.1470588), wk = 0.0030120 k( 178) = ( 0.1176471 0.1176471 -0.1176471), wk = 0.0030120 k( 179) = ( 0.0882353 0.0882353 -0.0882353), wk = 0.0030120 k( 180) = ( 0.0588235 0.0588235 -0.0588235), wk = 0.0030120 k( 181) = ( 0.0294118 0.0294118 -0.0294118), wk = 0.0030120 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 184) = ( 0.0080864 -0.0080864 0.0080864), wk = 0.0030120 k( 185) = ( 0.0161729 -0.0161729 0.0161729), wk = 0.0030120 k( 186) = ( 0.0242593 -0.0242593 0.0242593), wk = 0.0030120 k( 187) = ( 0.0323457 -0.0323457 0.0323457), wk = 0.0030120 k( 188) = ( 0.0404322 -0.0404322 0.0404322), wk = 0.0030120 k( 189) = ( 0.0485186 -0.0485186 0.0485186), wk = 0.0030120 k( 190) = ( 0.0566050 -0.0566050 0.0566050), wk = 0.0030120 k( 191) = ( 0.0646914 -0.0646914 0.0646914), wk = 0.0030120 k( 192) = ( 0.0727779 -0.0727779 0.0727779), wk = 0.0030120 k( 193) = ( 0.0808643 -0.0808643 0.0808643), wk = 0.0030120 k( 194) = ( 0.0889507 -0.0889507 0.0889507), wk = 0.0030120 k( 195) = ( 0.0970372 -0.0970372 0.0970372), wk = 0.0030120 k( 196) = ( 0.1051236 -0.1051236 0.1051236), wk = 0.0030120 k( 197) = ( 0.1132100 -0.1132100 0.1132100), wk = 0.0030120 k( 198) = ( 0.1212965 -0.1212965 0.1212965), wk = 0.0030120 k( 199) = ( 0.1293829 -0.1293829 0.1293829), wk = 0.0030120 k( 200) = ( 0.1374693 -0.1374693 0.1374693), wk = 0.0030120 k( 201) = ( 0.1455558 -0.1455558 0.1455557), wk = 0.0030120 k( 202) = ( 0.1536422 -0.1536422 0.1536422), wk = 0.0030120 k( 203) = ( 0.1617286 -0.1617286 0.1617286), wk = 0.0030120 k( 204) = ( 0.1698150 -0.1698150 0.1698150), wk = 0.0030120 k( 205) = ( 0.1779015 -0.1779015 0.1779015), wk = 0.0030120 k( 206) = ( 0.1859879 -0.1859879 0.1859879), wk = 0.0030120 k( 207) = ( 0.1940743 -0.1940743 0.1940743), wk = 0.0030120 k( 208) = ( 0.2021608 -0.2021608 0.2021608), wk = 0.0030120 k( 209) = ( 0.2102472 -0.2102472 0.2102472), wk = 0.0030120 k( 210) = ( 0.2183336 -0.2183336 0.2183336), wk = 0.0030120 k( 211) = ( 0.2264201 -0.2264201 0.2264201), wk = 0.0030120 k( 212) = ( 0.2345065 -0.2345065 0.2345065), wk = 0.0030120 k( 213) = ( 0.2425929 -0.2425929 0.2425929), wk = 0.0030120 k( 214) = ( 0.2506793 -0.2506793 0.2506793), wk = 0.0030120 k( 215) = ( 0.2587658 -0.2587658 0.2587658), wk = 0.0030120 k( 216) = ( 0.2668522 -0.2668522 0.2668522), wk = 0.0030120 k( 217) = ( 0.2668522 -0.2668522 0.2668522), wk = 0.0030120 k( 218) = ( 0.2927575 -0.2372020 0.2372020), wk = 0.0030120 k( 219) = ( 0.3186628 -0.2075517 0.2075517), wk = 0.0030120 k( 220) = ( 0.3445681 -0.1779015 0.1779015), wk = 0.0030120 k( 221) = ( 0.3704734 -0.1482512 0.1482512), wk = 0.0030120 k( 222) = ( 0.3963788 -0.1186010 0.1186010), wk = 0.0030120 k( 223) = ( 0.4222841 -0.0889507 0.0889507), wk = 0.0030120 k( 224) = ( 0.4481894 -0.0593005 0.0593005), wk = 0.0030120 k( 225) = ( 0.4740947 -0.0296502 0.0296502), wk = 0.0030120 k( 226) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030120 k( 227) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030120 k( 228) = ( 0.4934211 0.0065790 0.0065789), wk = 0.0030120 k( 229) = ( 0.4868421 0.0131579 0.0131579), wk = 0.0030120 k( 230) = ( 0.4802632 0.0197368 0.0197368), wk = 0.0030120 k( 231) = ( 0.4736842 0.0263158 0.0263158), wk = 0.0030120 k( 232) = ( 0.4671053 0.0328947 0.0328947), wk = 0.0030120 k( 233) = ( 0.4605263 0.0394737 0.0394737), wk = 0.0030120 k( 234) = ( 0.4539474 0.0460526 0.0460526), wk = 0.0030120 k( 235) = ( 0.4473684 0.0526316 0.0526316), wk = 0.0030120 k( 236) = ( 0.4407895 0.0592105 0.0592105), wk = 0.0030120 k( 237) = ( 0.4342105 0.0657895 0.0657895), wk = 0.0030120 k( 238) = ( 0.4276316 0.0723684 0.0723684), wk = 0.0030120 k( 239) = ( 0.4210526 0.0789474 0.0789474), wk = 0.0030120 k( 240) = ( 0.4144737 0.0855263 0.0855263), wk = 0.0030120 k( 241) = ( 0.4078947 0.0921053 0.0921053), wk = 0.0030120 k( 242) = ( 0.4013158 0.0986842 0.0986842), wk = 0.0030120 k( 243) = ( 0.3947368 0.1052632 0.1052632), wk = 0.0030120 k( 244) = ( 0.3881579 0.1118421 0.1118421), wk = 0.0030120 k( 245) = ( 0.3815789 0.1184211 0.1184210), wk = 0.0030120 k( 246) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0030120 k( 247) = ( 0.3684211 0.1315790 0.1315789), wk = 0.0030120 k( 248) = ( 0.3618421 0.1381579 0.1381579), wk = 0.0030120 k( 249) = ( 0.3552632 0.1447368 0.1447368), wk = 0.0030120 k( 250) = ( 0.3486842 0.1513158 0.1513158), wk = 0.0030120 k( 251) = ( 0.3421053 0.1578947 0.1578947), wk = 0.0030120 k( 252) = ( 0.3355263 0.1644737 0.1644737), wk = 0.0030120 k( 253) = ( 0.3289474 0.1710526 0.1710526), wk = 0.0030120 k( 254) = ( 0.3223684 0.1776316 0.1776316), wk = 0.0030120 k( 255) = ( 0.3157895 0.1842105 0.1842105), wk = 0.0030120 k( 256) = ( 0.3092105 0.1907895 0.1907895), wk = 0.0030120 k( 257) = ( 0.3026316 0.1973684 0.1973684), wk = 0.0030120 k( 258) = ( 0.2960526 0.2039474 0.2039474), wk = 0.0030120 k( 259) = ( 0.2894737 0.2105263 0.2105263), wk = 0.0030120 k( 260) = ( 0.2828947 0.2171053 0.2171053), wk = 0.0030120 k( 261) = ( 0.2763158 0.2236842 0.2236842), wk = 0.0030120 k( 262) = ( 0.2697368 0.2302632 0.2302632), wk = 0.0030120 k( 263) = ( 0.2631579 0.2368421 0.2368421), wk = 0.0030120 k( 264) = ( 0.2565789 0.2434211 0.2434210), wk = 0.0030120 k( 265) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 k( 266) = ( 0.0283890 -0.0283890 0.5053154), wk = 0.0030120 k( 267) = ( 0.0350129 -0.0350129 0.4986915), wk = 0.0030120 k( 268) = ( 0.0416369 -0.0416369 0.4920675), wk = 0.0030120 k( 269) = ( 0.0482609 -0.0482609 0.4854435), wk = 0.0030120 k( 270) = ( 0.0548849 -0.0548849 0.4788195), wk = 0.0030120 k( 271) = ( 0.0615089 -0.0615089 0.4721956), wk = 0.0030120 k( 272) = ( 0.0681328 -0.0681328 0.4655716), wk = 0.0030120 k( 273) = ( 0.0747568 -0.0747568 0.4589476), wk = 0.0030120 k( 274) = ( 0.0813808 -0.0813808 0.4523236), wk = 0.0030120 k( 275) = ( 0.0880048 -0.0880048 0.4456996), wk = 0.0030120 k( 276) = ( 0.0946287 -0.0946287 0.4390757), wk = 0.0030120 k( 277) = ( 0.1012527 -0.1012527 0.4324517), wk = 0.0030120 k( 278) = ( 0.1078767 -0.1078767 0.4258277), wk = 0.0030120 k( 279) = ( 0.1145007 -0.1145007 0.4192037), wk = 0.0030120 k( 280) = ( 0.1211247 -0.1211247 0.4125797), wk = 0.0030120 k( 281) = ( 0.1277486 -0.1277486 0.4059558), wk = 0.0030120 k( 282) = ( 0.1343726 -0.1343726 0.3993318), wk = 0.0030120 k( 283) = ( 0.1409966 -0.1409966 0.3927078), wk = 0.0030120 k( 284) = ( 0.1476206 -0.1476206 0.3860838), wk = 0.0030120 k( 285) = ( 0.1542446 -0.1542446 0.3794598), wk = 0.0030120 k( 286) = ( 0.1608685 -0.1608685 0.3728359), wk = 0.0030120 k( 287) = ( 0.1674925 -0.1674925 0.3662119), wk = 0.0030120 k( 288) = ( 0.1741165 -0.1741165 0.3595879), wk = 0.0030120 k( 289) = ( 0.1807405 -0.1807405 0.3529639), wk = 0.0030120 k( 290) = ( 0.1873645 -0.1873645 0.3463400), wk = 0.0030120 k( 291) = ( 0.1939884 -0.1939884 0.3397160), wk = 0.0030120 k( 292) = ( 0.2006124 -0.2006124 0.3330920), wk = 0.0030120 k( 293) = ( 0.2072364 -0.2072364 0.3264680), wk = 0.0030120 k( 294) = ( 0.2138604 -0.2138604 0.3198440), wk = 0.0030120 k( 295) = ( 0.2204843 -0.2204843 0.3132201), wk = 0.0030120 k( 296) = ( 0.2271083 -0.2271083 0.3065961), wk = 0.0030120 k( 297) = ( 0.2337323 -0.2337323 0.2999721), wk = 0.0030120 k( 298) = ( 0.2403563 -0.2403563 0.2933481), wk = 0.0030120 k( 299) = ( 0.2469803 -0.2469803 0.2867241), wk = 0.0030120 k( 300) = ( 0.2536042 -0.2536042 0.2801002), wk = 0.0030120 k( 301) = ( 0.2602282 -0.2602282 0.2734762), wk = 0.0030120 k( 302) = ( 0.2668522 -0.2668522 0.2668522), wk = 0.0030120 k( 303) = ( 0.7331478 0.2668522 -0.2668522), wk = 0.0030120 k( 304) = ( 0.7251082 0.2748918 -0.2748918), wk = 0.0030120 k( 305) = ( 0.7170686 0.2829314 -0.2829314), wk = 0.0030120 k( 306) = ( 0.7090291 0.2909709 -0.2909709), wk = 0.0030120 k( 307) = ( 0.7009895 0.2990105 -0.2990105), wk = 0.0030120 k( 308) = ( 0.6929499 0.3070501 -0.3070501), wk = 0.0030120 k( 309) = ( 0.6849103 0.3150897 -0.3150897), wk = 0.0030120 k( 310) = ( 0.6768707 0.3231293 -0.3231293), wk = 0.0030120 k( 311) = ( 0.6688312 0.3311688 -0.3311688), wk = 0.0030120 k( 312) = ( 0.6607916 0.3392084 -0.3392084), wk = 0.0030120 k( 313) = ( 0.6527520 0.3472480 -0.3472480), wk = 0.0030120 k( 314) = ( 0.6447124 0.3552876 -0.3552876), wk = 0.0030120 k( 315) = ( 0.6366728 0.3633272 -0.3633272), wk = 0.0030120 k( 316) = ( 0.6286333 0.3713667 -0.3713667), wk = 0.0030120 k( 317) = ( 0.6205937 0.3794063 -0.3794063), wk = 0.0030120 k( 318) = ( 0.6125541 0.3874459 -0.3874459), wk = 0.0030120 k( 319) = ( 0.6045145 0.3954855 -0.3954855), wk = 0.0030120 k( 320) = ( 0.5964749 0.4035250 -0.4035251), wk = 0.0030120 k( 321) = ( 0.5884354 0.4115646 -0.4115646), wk = 0.0030120 k( 322) = ( 0.5803958 0.4196042 -0.4196042), wk = 0.0030120 k( 323) = ( 0.5723562 0.4276438 -0.4276438), wk = 0.0030120 k( 324) = ( 0.5643166 0.4356834 -0.4356834), wk = 0.0030120 k( 325) = ( 0.5562771 0.4437230 -0.4437230), wk = 0.0030120 k( 326) = ( 0.5482375 0.4517625 -0.4517625), wk = 0.0030120 k( 327) = ( 0.5401979 0.4598021 -0.4598021), wk = 0.0030120 k( 328) = ( 0.5321583 0.4678417 -0.4678417), wk = 0.0030120 k( 329) = ( 0.5241187 0.4758813 -0.4758813), wk = 0.0030120 k( 330) = ( 0.5160792 0.4839208 -0.4839208), wk = 0.0030120 k( 331) = ( 0.5080396 0.4919604 -0.4919604), wk = 0.0030120 k( 332) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 Dense grid: 63869 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 55675 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 410, 52) NL pseudopotentials 0.75 Mb ( 205, 241) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.01 Mb ( 1775) G-vector shells 0.01 Mb ( 1681) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.30 Mb ( 410, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.38 Mb ( 241, 2, 52) The potential is recalculated from file : ./Ba3xAlSix2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.7 secs Computing kpt #: 2 total cpu time spent up to now is 8.0 secs Computing kpt #: 3 total cpu time spent up to now is 10.1 secs Computing kpt #: 4 total cpu time spent up to now is 12.1 secs Computing kpt #: 5 total cpu time spent up to now is 14.2 secs Computing kpt #: 6 total cpu time spent up to now is 16.2 secs Computing kpt #: 7 total cpu time spent up to now is 18.0 secs Computing kpt #: 8 total cpu time spent up to now is 19.7 secs Computing kpt #: 9 total cpu time spent up to now is 21.5 secs Computing kpt #: 10 total cpu time spent up to now is 23.3 secs Computing kpt #: 11 total cpu time spent up to now is 25.4 secs Computing kpt #: 12 total cpu time spent up to now is 27.6 secs Computing kpt #: 13 total cpu time spent up to now is 29.9 secs Computing kpt #: 14 total cpu time spent up to now is 32.1 secs Computing kpt #: 15 total cpu time spent up to now is 34.4 secs Computing kpt #: 16 total cpu time spent up to now is 37.0 secs Computing kpt #: 17 total cpu time spent up to now is 39.2 secs Computing kpt #: 18 total cpu time spent up to now is 41.0 secs Computing kpt #: 19 total cpu time spent up to now is 42.6 secs Computing kpt #: 20 total cpu time spent up to now is 44.3 secs Computing kpt #: 21 total cpu time spent up to now is 46.0 secs Computing kpt #: 22 total cpu time spent up to now is 47.7 secs Computing kpt #: 23 total cpu time spent up to now is 49.4 secs Computing kpt #: 24 total cpu time spent up to now is 51.5 secs Computing kpt #: 25 total cpu time spent up to now is 53.5 secs Computing kpt #: 26 total cpu time spent up to now is 56.0 secs Computing kpt #: 27 total cpu time spent up to now is 58.5 secs Computing kpt #: 28 total cpu time spent up to now is 60.6 secs Computing kpt #: 29 total cpu time spent up to now is 62.8 secs Computing kpt #: 30 total cpu time spent up to now is 64.9 secs Computing kpt #: 31 total cpu time spent up to now is 67.0 secs Computing kpt #: 32 total cpu time spent up to now is 69.1 secs Computing kpt #: 33 total cpu time spent up to now is 71.2 secs Computing kpt #: 34 total cpu time spent up to now is 73.2 secs Computing kpt #: 35 total cpu time spent up to now is 75.3 secs Computing kpt #: 36 total cpu time spent up to now is 77.3 secs Computing kpt #: 37 total cpu time spent up to now is 79.4 secs Computing kpt #: 38 total cpu time spent up to now is 81.5 secs Computing kpt #: 39 total cpu time spent up to now is 83.6 secs Computing kpt #: 40 total cpu time spent up to now is 85.8 secs Computing kpt #: 41 total cpu time spent up to now is 88.0 secs Computing kpt #: 42 total cpu time spent up to now is 90.3 secs Computing kpt #: 43 total cpu time spent up to now is 92.8 secs Computing kpt #: 44 total cpu time spent up to now is 95.0 secs Computing kpt #: 45 total cpu time spent up to now is 97.1 secs Computing kpt #: 46 total cpu time spent up to now is 99.2 secs Computing kpt #: 47 total cpu time spent up to now is 101.4 secs Computing kpt #: 48 total cpu time spent up to now is 103.7 secs Computing kpt #: 49 total cpu time spent up to now is 106.2 secs Computing kpt #: 50 total cpu time spent up to now is 108.3 secs Computing kpt #: 51 total cpu time spent up to now is 110.4 secs Computing kpt #: 52 total cpu time spent up to now is 112.5 secs Computing kpt #: 53 total cpu time spent up to now is 114.6 secs Computing kpt #: 54 total cpu time spent up to now is 117.0 secs Computing kpt #: 55 total cpu time spent up to now is 119.1 secs Computing kpt #: 56 total cpu time spent up to now is 121.2 secs Computing kpt #: 57 total cpu time spent up to now is 123.2 secs Computing kpt #: 58 total cpu time spent up to now is 125.2 secs Computing kpt #: 59 total cpu time spent up to now is 127.2 secs Computing kpt #: 60 total cpu time spent up to now is 129.2 secs Computing kpt #: 61 total cpu time spent up to now is 131.1 secs Computing kpt #: 62 total cpu time spent up to now is 132.9 secs Computing kpt #: 63 total cpu time spent up to now is 134.8 secs Computing kpt #: 64 total cpu time spent up to now is 136.5 secs Computing kpt #: 65 total cpu time spent up to now is 138.2 secs Computing kpt #: 66 total cpu time spent up to now is 139.9 secs Computing kpt #: 67 total cpu time spent up to now is 141.9 secs Computing kpt #: 68 total cpu time spent up to now is 143.5 secs Computing kpt #: 69 total cpu time spent up to now is 145.2 secs Computing kpt #: 70 total cpu time spent up to now is 146.9 secs Computing kpt #: 71 total cpu time spent up to now is 148.6 secs Computing kpt #: 72 total cpu time spent up to now is 150.3 secs Computing kpt #: 73 total cpu time spent up to now is 152.0 secs Computing kpt #: 74 total cpu time spent up to now is 153.7 secs Computing kpt #: 75 total cpu time spent up to now is 155.4 secs Computing kpt #: 76 total cpu time spent up to now is 157.1 secs Computing kpt #: 77 total cpu time spent up to now is 158.8 secs Computing kpt #: 78 total cpu time spent up to now is 160.8 secs Computing kpt #: 79 total cpu time spent up to now is 162.8 secs Computing kpt #: 80 total cpu time spent up to now is 164.9 secs Computing kpt #: 81 total cpu time spent up to now is 166.9 secs Computing kpt #: 82 total cpu time spent up to now is 169.0 secs Computing kpt #: 83 total cpu time spent up to now is 171.1 secs Computing kpt #: 84 total cpu time spent up to now is 173.2 secs Computing kpt #: 85 total cpu time spent up to now is 175.2 secs Computing kpt #: 86 total cpu time spent up to now is 177.3 secs Computing kpt #: 87 total cpu time spent up to now is 179.3 secs Computing kpt #: 88 total cpu time spent up to now is 181.4 secs Computing kpt #: 89 total cpu time spent up to now is 183.4 secs Computing kpt #: 90 total cpu time spent up to now is 185.4 secs Computing kpt #: 91 total cpu time spent up to now is 187.4 secs Computing kpt #: 92 total cpu time spent up to now is 189.4 secs Computing kpt #: 93 total cpu time spent up to now is 191.4 secs Computing kpt #: 94 total cpu time spent up to now is 193.4 secs Computing kpt #: 95 total cpu time spent up to now is 195.4 secs Computing kpt #: 96 total cpu time spent up to now is 197.4 secs Computing kpt #: 97 total cpu time spent up to now is 199.4 secs Computing kpt #: 98 total cpu time spent up to now is 201.4 secs Computing kpt #: 99 total cpu time spent up to now is 203.4 secs Computing kpt #: 100 total cpu time spent up to now is 205.4 secs Computing kpt #: 101 total cpu time spent up to now is 207.4 secs Computing kpt #: 102 total cpu time spent up to now is 209.3 secs Computing kpt #: 103 total cpu time spent up to now is 211.3 secs Computing kpt #: 104 total cpu time spent up to now is 213.3 secs Computing kpt #: 105 total cpu time spent up to now is 215.0 secs Computing kpt #: 106 total cpu time spent up to now is 216.7 secs Computing kpt #: 107 total cpu time spent up to now is 218.4 secs Computing kpt #: 108 total cpu time spent up to now is 220.1 secs Computing kpt #: 109 total cpu time spent up to now is 221.8 secs Computing kpt #: 110 total cpu time spent up to now is 223.5 secs Computing kpt #: 111 total cpu time spent up to now is 225.1 secs Computing kpt #: 112 total cpu time spent up to now is 226.8 secs Computing kpt #: 113 total cpu time spent up to now is 228.6 secs Computing kpt #: 114 total cpu time spent up to now is 230.3 secs Computing kpt #: 115 total cpu time spent up to now is 232.0 secs Computing kpt #: 116 total cpu time spent up to now is 233.6 secs Computing kpt #: 117 total cpu time spent up to now is 235.3 secs Computing kpt #: 118 total cpu time spent up to now is 236.9 secs Computing kpt #: 119 total cpu time spent up to now is 238.6 secs Computing kpt #: 120 total cpu time spent up to now is 240.2 secs Computing kpt #: 121 total cpu time spent up to now is 241.9 secs Computing kpt #: 122 total cpu time spent up to now is 243.6 secs Computing kpt #: 123 total cpu time spent up to now is 245.3 secs Computing kpt #: 124 total cpu time spent up to now is 247.0 secs Computing kpt #: 125 total cpu time spent up to now is 248.7 secs Computing kpt #: 126 total cpu time spent up to now is 250.4 secs Computing kpt #: 127 total cpu time spent up to now is 252.6 secs Computing kpt #: 128 total cpu time spent up to now is 255.1 secs Computing kpt #: 129 total cpu time spent up to now is 257.3 secs Computing kpt #: 130 total cpu time spent up to now is 259.5 secs Computing kpt #: 131 total cpu time spent up to now is 261.6 secs Computing kpt #: 132 total cpu time spent up to now is 263.7 secs Computing kpt #: 133 total cpu time spent up to now is 265.8 secs Computing kpt #: 134 total cpu time spent up to now is 268.0 secs Computing kpt #: 135 total cpu time spent up to now is 270.3 secs Computing kpt #: 136 total cpu time spent up to now is 272.4 secs Computing kpt #: 137 total cpu time spent up to now is 274.9 secs Computing kpt #: 138 total cpu time spent up to now is 277.0 secs Computing kpt #: 139 total cpu time spent up to now is 279.1 secs Computing kpt #: 140 total cpu time spent up to now is 281.1 secs Computing kpt #: 141 total cpu time spent up to now is 283.1 secs Computing kpt #: 142 total cpu time spent up to now is 285.2 secs Computing kpt #: 143 total cpu time spent up to now is 287.3 secs Computing kpt #: 144 total cpu time spent up to now is 289.4 secs Computing kpt #: 145 total cpu time spent up to now is 291.5 secs Computing kpt #: 146 total cpu time spent up to now is 293.6 secs Computing kpt #: 147 total cpu time spent up to now is 295.6 secs Computing kpt #: 148 total cpu time spent up to now is 297.7 secs Computing kpt #: 149 total cpu time spent up to now is 299.5 secs Computing kpt #: 150 total cpu time spent up to now is 301.7 secs Computing kpt #: 151 total cpu time spent up to now is 304.3 secs Computing kpt #: 152 total cpu time spent up to now is 307.0 secs Computing kpt #: 153 total cpu time spent up to now is 309.7 secs Computing kpt #: 154 total cpu time spent up to now is 312.0 secs Computing kpt #: 155 total cpu time spent up to now is 314.2 secs Computing kpt #: 156 total cpu time spent up to now is 316.4 secs Computing kpt #: 157 total cpu time spent up to now is 318.5 secs Computing kpt #: 158 total cpu time spent up to now is 320.2 secs Computing kpt #: 159 total cpu time spent up to now is 321.9 secs Computing kpt #: 160 total cpu time spent up to now is 323.5 secs Computing kpt #: 161 total cpu time spent up to now is 325.2 secs Computing kpt #: 162 total cpu time spent up to now is 326.9 secs Computing kpt #: 163 total cpu time spent up to now is 328.6 secs Computing kpt #: 164 total cpu time spent up to now is 330.2 secs Computing kpt #: 165 total cpu time spent up to now is 331.9 secs Computing kpt #: 166 total cpu time spent up to now is 333.5 secs Computing kpt #: 167 total cpu time spent up to now is 335.2 secs Computing kpt #: 168 total cpu time spent up to now is 336.9 secs Computing kpt #: 169 total cpu time spent up to now is 338.8 secs Computing kpt #: 170 total cpu time spent up to now is 340.5 secs Computing kpt #: 171 total cpu time spent up to now is 342.2 secs Computing kpt #: 172 total cpu time spent up to now is 343.9 secs Computing kpt #: 173 total cpu time spent up to now is 345.9 secs Computing kpt #: 174 total cpu time spent up to now is 347.9 secs Computing kpt #: 175 total cpu time spent up to now is 349.9 secs Computing kpt #: 176 total cpu time spent up to now is 352.0 secs Computing kpt #: 177 total cpu time spent up to now is 354.2 secs Computing kpt #: 178 total cpu time spent up to now is 356.4 secs Computing kpt #: 179 total cpu time spent up to now is 358.8 secs Computing kpt #: 180 total cpu time spent up to now is 361.1 secs Computing kpt #: 181 total cpu time spent up to now is 363.3 secs Computing kpt #: 182 total cpu time spent up to now is 365.4 secs Computing kpt #: 183 total cpu time spent up to now is 367.6 secs Computing kpt #: 184 total cpu time spent up to now is 369.8 secs Computing kpt #: 185 total cpu time spent up to now is 371.9 secs Computing kpt #: 186 total cpu time spent up to now is 373.9 secs Computing kpt #: 187 total cpu time spent up to now is 375.9 secs Computing kpt #: 188 total cpu time spent up to now is 377.6 secs Computing kpt #: 189 total cpu time spent up to now is 379.3 secs Computing kpt #: 190 total cpu time spent up to now is 381.0 secs Computing kpt #: 191 total cpu time spent up to now is 382.7 secs Computing kpt #: 192 total cpu time spent up to now is 384.4 secs Computing kpt #: 193 total cpu time spent up to now is 386.1 secs Computing kpt #: 194 total cpu time spent up to now is 387.8 secs Computing kpt #: 195 total cpu time spent up to now is 389.5 secs Computing kpt #: 196 total cpu time spent up to now is 391.2 secs Computing kpt #: 197 total cpu time spent up to now is 392.9 secs Computing kpt #: 198 total cpu time spent up to now is 394.9 secs Computing kpt #: 199 total cpu time spent up to now is 396.9 secs Computing kpt #: 200 total cpu time spent up to now is 399.0 secs Computing kpt #: 201 total cpu time spent up to now is 401.1 secs Computing kpt #: 202 total cpu time spent up to now is 403.9 secs Computing kpt #: 203 total cpu time spent up to now is 406.9 secs Computing kpt #: 204 total cpu time spent up to now is 409.5 secs Computing kpt #: 205 total cpu time spent up to now is 411.7 secs Computing kpt #: 206 total cpu time spent up to now is 413.9 secs Computing kpt #: 207 total cpu time spent up to now is 416.1 secs Computing kpt #: 208 total cpu time spent up to now is 418.4 secs Computing kpt #: 209 total cpu time spent up to now is 420.8 secs Computing kpt #: 210 total cpu time spent up to now is 423.1 secs Computing kpt #: 211 total cpu time spent up to now is 425.5 secs Computing kpt #: 212 total cpu time spent up to now is 427.8 secs Computing kpt #: 213 total cpu time spent up to now is 430.2 secs Computing kpt #: 214 total cpu time spent up to now is 432.5 secs Computing kpt #: 215 total cpu time spent up to now is 434.8 secs Computing kpt #: 216 total cpu time spent up to now is 437.0 secs Computing kpt #: 217 total cpu time spent up to now is 439.3 secs Computing kpt #: 218 total cpu time spent up to now is 441.5 secs Computing kpt #: 219 total cpu time spent up to now is 443.8 secs Computing kpt #: 220 total cpu time spent up to now is 446.2 secs Computing kpt #: 221 total cpu time spent up to now is 448.5 secs Computing kpt #: 222 total cpu time spent up to now is 450.6 secs Computing kpt #: 223 total cpu time spent up to now is 452.8 secs Computing kpt #: 224 total cpu time spent up to now is 454.9 secs Computing kpt #: 225 total cpu time spent up to now is 457.3 secs Computing kpt #: 226 total cpu time spent up to now is 459.5 secs Computing kpt #: 227 total cpu time spent up to now is 461.7 secs Computing kpt #: 228 total cpu time spent up to now is 463.9 secs Computing kpt #: 229 total cpu time spent up to now is 466.1 secs Computing kpt #: 230 total cpu time spent up to now is 468.3 secs Computing kpt #: 231 total cpu time spent up to now is 470.6 secs Computing kpt #: 232 total cpu time spent up to now is 472.7 secs Computing kpt #: 233 total cpu time spent up to now is 474.9 secs Computing kpt #: 234 total cpu time spent up to now is 477.2 secs Computing kpt #: 235 total cpu time spent up to now is 479.7 secs Computing kpt #: 236 total cpu time spent up to now is 482.4 secs Computing kpt #: 237 total cpu time spent up to now is 485.7 secs Computing kpt #: 238 total cpu time spent up to now is 489.4 secs Computing kpt #: 239 total cpu time spent up to now is 493.2 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 497.4 secs Computing kpt #: 241 total cpu time spent up to now is 500.9 secs Computing kpt #: 242 total cpu time spent up to now is 503.3 secs Computing kpt #: 243 total cpu time spent up to now is 505.4 secs Computing kpt #: 244 total cpu time spent up to now is 507.4 secs Computing kpt #: 245 total cpu time spent up to now is 509.4 secs Computing kpt #: 246 total cpu time spent up to now is 511.1 secs Computing kpt #: 247 total cpu time spent up to now is 512.8 secs Computing kpt #: 248 total cpu time spent up to now is 514.5 secs Computing kpt #: 249 total cpu time spent up to now is 516.2 secs Computing kpt #: 250 total cpu time spent up to now is 517.8 secs Computing kpt #: 251 total cpu time spent up to now is 519.5 secs Computing kpt #: 252 total cpu time spent up to now is 521.2 secs Computing kpt #: 253 total cpu time spent up to now is 522.9 secs Computing kpt #: 254 total cpu time spent up to now is 524.6 secs Computing kpt #: 255 total cpu time spent up to now is 526.3 secs Computing kpt #: 256 total cpu time spent up to now is 528.5 secs Computing kpt #: 257 total cpu time spent up to now is 530.2 secs Computing kpt #: 258 total cpu time spent up to now is 531.9 secs Computing kpt #: 259 total cpu time spent up to now is 533.6 secs Computing kpt #: 260 total cpu time spent up to now is 535.2 secs Computing kpt #: 261 total cpu time spent up to now is 537.2 secs Computing kpt #: 262 total cpu time spent up to now is 539.2 secs Computing kpt #: 263 total cpu time spent up to now is 541.3 secs Computing kpt #: 264 total cpu time spent up to now is 543.4 secs Computing kpt #: 265 total cpu time spent up to now is 545.4 secs Computing kpt #: 266 total cpu time spent up to now is 547.1 secs Computing kpt #: 267 total cpu time spent up to now is 548.8 secs Computing kpt #: 268 total cpu time spent up to now is 550.5 secs Computing kpt #: 269 total cpu time spent up to now is 552.2 secs Computing kpt #: 270 total cpu time spent up to now is 553.9 secs Computing kpt #: 271 total cpu time spent up to now is 555.9 secs Computing kpt #: 272 total cpu time spent up to now is 558.0 secs Computing kpt #: 273 total cpu time spent up to now is 560.0 secs Computing kpt #: 274 total cpu time spent up to now is 562.1 secs Computing kpt #: 275 total cpu time spent up to now is 564.3 secs Computing kpt #: 276 total cpu time spent up to now is 566.4 secs Computing kpt #: 277 total cpu time spent up to now is 568.6 secs Computing kpt #: 278 total cpu time spent up to now is 570.7 secs Computing kpt #: 279 total cpu time spent up to now is 572.9 secs Computing kpt #: 280 total cpu time spent up to now is 575.5 secs Computing kpt #: 281 total cpu time spent up to now is 577.7 secs Computing kpt #: 282 total cpu time spent up to now is 579.8 secs Computing kpt #: 283 total cpu time spent up to now is 581.9 secs Computing kpt #: 284 total cpu time spent up to now is 584.1 secs Computing kpt #: 285 total cpu time spent up to now is 586.2 secs Computing kpt #: 286 total cpu time spent up to now is 588.4 secs Computing kpt #: 287 total cpu time spent up to now is 590.6 secs Computing kpt #: 288 total cpu time spent up to now is 592.7 secs Computing kpt #: 289 total cpu time spent up to now is 595.0 secs Computing kpt #: 290 total cpu time spent up to now is 597.3 secs Computing kpt #: 291 total cpu time spent up to now is 599.5 secs Computing kpt #: 292 total cpu time spent up to now is 601.8 secs Computing kpt #: 293 total cpu time spent up to now is 604.2 secs Computing kpt #: 294 total cpu time spent up to now is 606.8 secs Computing kpt #: 295 total cpu time spent up to now is 609.4 secs Computing kpt #: 296 total cpu time spent up to now is 611.7 secs Computing kpt #: 297 total cpu time spent up to now is 614.0 secs Computing kpt #: 298 total cpu time spent up to now is 616.3 secs Computing kpt #: 299 total cpu time spent up to now is 618.6 secs Computing kpt #: 300 total cpu time spent up to now is 620.9 secs Computing kpt #: 301 total cpu time spent up to now is 623.2 secs Computing kpt #: 302 total cpu time spent up to now is 625.6 secs Computing kpt #: 303 total cpu time spent up to now is 627.8 secs Computing kpt #: 304 total cpu time spent up to now is 630.4 secs Computing kpt #: 305 total cpu time spent up to now is 632.8 secs Computing kpt #: 306 total cpu time spent up to now is 635.4 secs Computing kpt #: 307 total cpu time spent up to now is 638.0 secs Computing kpt #: 308 total cpu time spent up to now is 640.3 secs Computing kpt #: 309 total cpu time spent up to now is 642.5 secs Computing kpt #: 310 total cpu time spent up to now is 644.7 secs Computing kpt #: 311 total cpu time spent up to now is 647.0 secs Computing kpt #: 312 total cpu time spent up to now is 649.1 secs Computing kpt #: 313 total cpu time spent up to now is 651.2 secs Computing kpt #: 314 total cpu time spent up to now is 653.3 secs Computing kpt #: 315 total cpu time spent up to now is 655.6 secs Computing kpt #: 316 total cpu time spent up to now is 657.7 secs Computing kpt #: 317 total cpu time spent up to now is 659.8 secs Computing kpt #: 318 total cpu time spent up to now is 661.8 secs Computing kpt #: 319 total cpu time spent up to now is 663.5 secs Computing kpt #: 320 total cpu time spent up to now is 665.2 secs Computing kpt #: 321 total cpu time spent up to now is 666.9 secs Computing kpt #: 322 total cpu time spent up to now is 668.5 secs Computing kpt #: 323 total cpu time spent up to now is 670.2 secs Computing kpt #: 324 total cpu time spent up to now is 671.9 secs Computing kpt #: 325 total cpu time spent up to now is 673.6 secs Computing kpt #: 326 total cpu time spent up to now is 675.3 secs Computing kpt #: 327 total cpu time spent up to now is 677.0 secs Computing kpt #: 328 total cpu time spent up to now is 678.6 secs Computing kpt #: 329 total cpu time spent up to now is 680.3 secs Computing kpt #: 330 total cpu time spent up to now is 682.0 secs Computing kpt #: 331 total cpu time spent up to now is 683.6 secs Computing kpt #: 332 total cpu time spent up to now is 685.3 secs ethr = 2.27E-08, avg # of iterations = 28.0 total cpu time spent up to now is 685.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6989 PWs) bands (ev): -20.2892 -20.2892 -20.2193 -20.2193 -19.7151 -19.7151 -7.0040 -7.0040 -6.8298 -6.8298 -6.3879 -6.3879 -5.1392 -5.1392 -4.9177 -4.9177 -4.9068 -4.9068 -4.7013 -4.7013 -4.4199 -4.4199 -4.2551 -4.2551 -0.5675 -0.5675 0.1840 0.1840 3.0139 3.0139 5.3169 5.3169 6.3688 6.3688 6.6103 6.6103 6.6925 6.6925 6.7930 6.7930 7.0182 7.0182 7.5817 7.5817 8.1220 8.1220 8.3264 8.3264 9.5481 9.5481 9.8591 9.8591 k =-0.0065 0.0194 0.0247 ( 6977 PWs) bands (ev): -20.2891 -20.2891 -20.2193 -20.2193 -19.7150 -19.7150 -7.0041 -7.0041 -6.8300 -6.8300 -6.3880 -6.3880 -5.1390 -5.1390 -4.9209 -4.9209 -4.9042 -4.9042 -4.7018 -4.7018 -4.4199 -4.4199 -4.2559 -4.2559 -0.5659 -0.5659 0.1852 0.1852 3.0152 3.0152 5.3166 5.3166 6.3696 6.3696 6.6097 6.6097 6.6546 6.6546 6.8209 6.8209 7.0026 7.0026 7.5935 7.5935 8.1306 8.1306 8.3295 8.3295 9.5417 9.5417 9.8370 9.8370 k =-0.0131 0.0388 0.0495 ( 6975 PWs) bands (ev): -20.2889 -20.2889 -20.2192 -20.2192 -19.7149 -19.7149 -7.0043 -7.0043 -6.8306 -6.8306 -6.3885 -6.3885 -5.1385 -5.1385 -4.9271 -4.9271 -4.8995 -4.8995 -4.7034 -4.7034 -4.4199 -4.4199 -4.2581 -4.2581 -0.5611 -0.5611 0.1887 0.1887 3.0190 3.0190 5.3155 5.3155 6.3717 6.3717 6.5806 6.5806 6.6086 6.6086 6.8650 6.8650 6.9595 6.9595 7.6256 7.6256 8.1550 8.1550 8.3393 8.3393 9.5229 9.5229 9.7736 9.7736 k =-0.0196 0.0582 0.0742 ( 6967 PWs) bands (ev): -20.2884 -20.2884 -20.2191 -20.2191 -19.7146 -19.7146 -7.0046 -7.0046 -6.8316 -6.8316 -6.3893 -6.3893 -5.1377 -5.1377 -4.9344 -4.9344 -4.8948 -4.8948 -4.7061 -4.7061 -4.4200 -4.4200 -4.2619 -4.2619 -0.5531 -0.5531 0.1945 0.1945 3.0254 3.0254 5.3135 5.3135 6.3751 6.3751 6.4932 6.4932 6.6058 6.6058 6.8903 6.8903 6.9125 6.9125 7.6713 7.6713 8.1910 8.1910 8.3579 8.3579 9.4925 9.4925 9.6823 9.6823 k =-0.0262 0.0776 0.0990 ( 6951 PWs) bands (ev): -20.2879 -20.2879 -20.2189 -20.2189 -19.7142 -19.7142 -7.0050 -7.0050 -6.8330 -6.8330 -6.3904 -6.3904 -5.1366 -5.1366 -4.9424 -4.9424 -4.8904 -4.8904 -4.7098 -4.7098 -4.4201 -4.4201 -4.2671 -4.2671 -0.5419 -0.5419 0.2025 0.2025 3.0341 3.0341 5.3101 5.3101 6.3755 6.3755 6.4004 6.4004 6.6020 6.6020 6.8181 6.8181 6.9459 6.9459 7.7247 7.7247 8.2315 8.2315 8.3892 8.3892 9.4517 9.4517 9.5764 9.5764 k =-0.0327 0.0970 0.1237 ( 6951 PWs) bands (ev): -20.2872 -20.2872 -20.2187 -20.2187 -19.7138 -19.7138 -7.0056 -7.0056 -6.8348 -6.8348 -6.3919 -6.3919 -5.1352 -5.1352 -4.9510 -4.9510 -4.8863 -4.8863 -4.7144 -4.7144 -4.4201 -4.4201 -4.2737 -4.2737 -0.5277 -0.5277 0.2129 0.2129 3.0452 3.0452 5.3047 5.3047 6.2885 6.2885 6.3890 6.3890 6.5968 6.5968 6.7352 6.7352 6.9797 6.9797 7.7824 7.7824 8.2691 8.2691 8.4376 8.4376 9.4019 9.4019 9.4635 9.4635 k =-0.0392 0.1164 0.1485 ( 6951 PWs) bands (ev): -20.2863 -20.2863 -20.2185 -20.2185 -19.7132 -19.7132 -7.0063 -7.0063 -6.8370 -6.8370 -6.3936 -6.3936 -5.1335 -5.1335 -4.9601 -4.9601 -4.8827 -4.8827 -4.7200 -4.7200 -4.4202 -4.4202 -4.2815 -4.2815 -0.5103 -0.5103 0.2256 0.2256 3.0583 3.0583 5.2966 5.2966 6.1786 6.1786 6.3962 6.3962 6.5876 6.5876 6.6517 6.6517 7.0113 7.0113 7.8425 7.8425 8.3005 8.3005 8.5033 8.5033 9.3399 9.3399 9.3522 9.3522 k =-0.0458 0.1358 0.1732 ( 6943 PWs) bands (ev): -20.2852 -20.2852 -20.2182 -20.2182 -19.7125 -19.7125 -7.0071 -7.0071 -6.8396 -6.8396 -6.3957 -6.3957 -5.1315 -5.1315 -4.9697 -4.9697 -4.8795 -4.8795 -4.7264 -4.7264 -4.4201 -4.4201 -4.2907 -4.2907 -0.4899 -0.4899 0.2405 0.2405 3.0734 3.0734 5.2845 5.2845 6.0644 6.0644 6.4047 6.4047 6.5470 6.5470 6.5989 6.5989 7.0413 7.0413 7.9040 7.9040 8.3275 8.3275 8.5822 8.5822 9.2281 9.2281 9.2839 9.2839 k =-0.0523 0.1552 0.1980 ( 6941 PWs) bands (ev): -20.2841 -20.2841 -20.2179 -20.2179 -19.7118 -19.7118 -7.0080 -7.0080 -6.8425 -6.8425 -6.3981 -6.3981 -5.1293 -5.1293 -4.9798 -4.9798 -4.8768 -4.8768 -4.7335 -4.7335 -4.4201 -4.4201 -4.3009 -4.3009 -0.4666 -0.4666 0.2576 0.2576 3.0901 3.0901 5.2671 5.2671 5.9478 5.9478 6.4119 6.4119 6.4706 6.4706 6.5863 6.5863 7.0700 7.0700 7.9662 7.9662 8.3523 8.3523 8.6700 8.6700 9.1112 9.1112 9.2169 9.2169 k =-0.0588 0.1746 0.2227 ( 6935 PWs) bands (ev): -20.2827 -20.2827 -20.2175 -20.2175 -19.7110 -19.7110 -7.0091 -7.0091 -6.8459 -6.8459 -6.4008 -6.4008 -5.1269 -5.1269 -4.9902 -4.9902 -4.8745 -4.8745 -4.7413 -4.7413 -4.4199 -4.4199 -4.3121 -4.3121 -0.4403 -0.4403 0.2769 0.2769 3.1081 3.1081 5.2429 5.2429 5.8299 5.8299 6.3800 6.3800 6.4351 6.4351 6.5778 6.5778 7.0977 7.0977 8.0288 8.0288 8.3762 8.3762 8.7633 8.7633 8.9956 8.9956 9.1471 9.1471 k =-0.0654 0.1940 0.2475 ( 6937 PWs) bands (ev): -20.2813 -20.2813 -20.2172 -20.2172 -19.7101 -19.7101 -7.0103 -7.0103 -6.8496 -6.8496 -6.4037 -6.4037 -5.1244 -5.1244 -5.0009 -5.0009 -4.8727 -4.8727 -4.7496 -4.7496 -4.4196 -4.4196 -4.3243 -4.3243 -0.4112 -0.4112 0.2984 0.2984 3.1270 3.1270 5.2102 5.2102 5.7121 5.7121 6.3117 6.3117 6.4443 6.4443 6.5696 6.5696 7.1241 7.1241 8.0910 8.0910 8.3994 8.3994 8.8503 8.8503 8.8921 8.8921 9.0758 9.0758 k =-0.0719 0.2134 0.2722 ( 6933 PWs) bands (ev): -20.2797 -20.2797 -20.2168 -20.2168 -19.7091 -19.7091 -7.0115 -7.0115 -6.8537 -6.8537 -6.4070 -6.4070 -5.1217 -5.1217 -5.0119 -5.0119 -4.8714 -4.8714 -4.7582 -4.7582 -4.4193 -4.4193 -4.3372 -4.3372 -0.3794 -0.3794 0.3220 0.3220 3.1463 3.1463 5.1675 5.1675 5.5955 5.5955 6.2504 6.2504 6.4572 6.4572 6.5612 6.5612 7.1490 7.1490 8.1520 8.1520 8.4216 8.4216 8.7646 8.7646 8.9662 8.9662 9.0042 9.0042 k =-0.0785 0.2328 0.2970 ( 6935 PWs) bands (ev): -20.2780 -20.2780 -20.2164 -20.2164 -19.7080 -19.7080 -7.0129 -7.0129 -6.8581 -6.8581 -6.4105 -6.4105 -5.1190 -5.1190 -5.0231 -5.0231 -4.8707 -4.8707 -4.7669 -4.7669 -4.4188 -4.4188 -4.3508 -4.3508 -0.3448 -0.3448 0.3477 0.3477 3.1654 3.1654 5.1138 5.1138 5.4811 5.4811 6.2004 6.2004 6.4713 6.4713 6.5525 6.5525 7.1718 7.1718 8.2106 8.2106 8.4418 8.4418 8.6551 8.6551 8.9321 8.9321 9.0694 9.0694 k =-0.0850 0.2522 0.3217 ( 6931 PWs) bands (ev): -20.2762 -20.2762 -20.2160 -20.2160 -19.7069 -19.7069 -7.0143 -7.0143 -6.8628 -6.8628 -6.4142 -6.4142 -5.1163 -5.1163 -5.0344 -5.0344 -4.8707 -4.8707 -4.7755 -4.7755 -4.4183 -4.4183 -4.3649 -4.3649 -0.3077 -0.3077 0.3754 0.3754 3.1837 3.1837 5.0489 5.0489 5.3701 5.3701 6.1628 6.1628 6.4861 6.4861 6.5436 6.5436 7.1917 7.1917 8.2651 8.2651 8.4586 8.4586 8.5476 8.5476 8.8617 8.8617 9.1737 9.1737 k =-0.0915 0.2716 0.3464 ( 6929 PWs) bands (ev): -20.2743 -20.2743 -20.2156 -20.2156 -19.7058 -19.7058 -7.0159 -7.0159 -6.8679 -6.8679 -6.4182 -6.4182 -5.1136 -5.1136 -5.0457 -5.0457 -4.8715 -4.8715 -4.7837 -4.7837 -4.4177 -4.4177 -4.3794 -4.3794 -0.2680 -0.2680 0.4051 0.4051 3.2002 3.2002 4.9735 4.9735 5.2637 5.2637 6.1374 6.1374 6.5013 6.5013 6.5346 6.5346 7.2080 7.2080 8.3133 8.3133 8.4419 8.4419 8.4712 8.4712 8.7933 8.7933 9.2765 9.2765 k =-0.0981 0.2910 0.3712 ( 6941 PWs) bands (ev): -20.2723 -20.2723 -20.2152 -20.2152 -19.7046 -19.7046 -7.0175 -7.0175 -6.8733 -6.8733 -6.4225 -6.4225 -5.1111 -5.1111 -5.0570 -5.0570 -4.8732 -4.8732 -4.7913 -4.7913 -4.4172 -4.4172 -4.3939 -4.3939 -0.2260 -0.2260 0.4367 0.4367 3.2140 3.2140 4.8889 4.8889 5.1631 5.1631 6.1232 6.1232 6.5164 6.5164 6.5257 6.5257 7.2197 7.2197 8.3379 8.3379 8.3549 8.3549 8.4760 8.4760 8.7275 8.7275 9.3641 9.3641 k =-0.1046 0.3104 0.3959 ( 6935 PWs) bands (ev): -20.2702 -20.2702 -20.2148 -20.2148 -19.7033 -19.7033 -7.0191 -7.0191 -6.8790 -6.8790 -6.4269 -6.4269 -5.1089 -5.1089 -5.0681 -5.0681 -4.8759 -4.8759 -4.7980 -4.7980 -4.4180 -4.4180 -4.4071 -4.4071 -0.1815 -0.1815 0.4702 0.4702 3.2240 3.2240 4.7968 4.7968 5.0698 5.0698 6.1191 6.1191 6.5163 6.5163 6.5321 6.5321 7.2258 7.2258 8.2402 8.2402 8.3811 8.3811 8.4735 8.4735 8.6650 8.6650 9.3900 9.3900 k =-0.1112 0.3299 0.4207 ( 6929 PWs) bands (ev): -20.2681 -20.2681 -20.2144 -20.2144 -19.7021 -19.7021 -7.0208 -7.0208 -6.8850 -6.8850 -6.4315 -6.4315 -5.1072 -5.1072 -5.0788 -5.0788 -4.8796 -4.8796 -4.8037 -4.8037 -4.4270 -4.4270 -4.4121 -4.4121 -0.1349 -0.1349 0.5055 0.5055 3.2288 3.2288 4.6989 4.6989 4.9852 4.9852 6.1235 6.1235 6.5076 6.5076 6.5467 6.5467 7.2251 7.2251 8.1440 8.1440 8.3941 8.3941 8.4638 8.4638 8.6065 8.6065 9.3831 9.3831 k =-0.1177 0.3493 0.4454 ( 6943 PWs) bands (ev): -20.2658 -20.2658 -20.2141 -20.2141 -19.7008 -19.7008 -7.0225 -7.0225 -6.8912 -6.8912 -6.4362 -6.4362 -5.1063 -5.1063 -5.0889 -5.0889 -4.8842 -4.8842 -4.8083 -4.8083 -4.4411 -4.4411 -4.4118 -4.4118 -0.0861 -0.0861 0.5425 0.5425 3.2271 3.2271 4.5969 4.5969 4.9109 4.9109 6.1352 6.1352 6.4992 6.4992 6.5606 6.5606 7.2167 7.2167 8.0508 8.0508 8.3905 8.3905 8.4488 8.4488 8.5523 8.5523 9.3860 9.3860 k =-0.1242 0.3687 0.4702 ( 6947 PWs) bands (ev): -20.2636 -20.2636 -20.2138 -20.2138 -19.6995 -19.6995 -7.0243 -7.0243 -6.8976 -6.8976 -6.4411 -6.4411 -5.1077 -5.1077 -5.0968 -5.0968 -4.8895 -4.8895 -4.8119 -4.8119 -4.4558 -4.4558 -4.4107 -4.4107 -0.0352 -0.0352 0.5810 0.5810 3.2176 3.2176 4.4921 4.4921 4.8483 4.8483 6.1529 6.1529 6.4913 6.4913 6.5735 6.5735 7.1994 7.1994 7.9609 7.9609 8.3723 8.3723 8.4290 8.4290 8.5030 8.5030 9.4043 9.4043 k =-0.1308 0.3881 0.4949 ( 6945 PWs) bands (ev): -20.2612 -20.2612 -20.2135 -20.2135 -19.6982 -19.6982 -7.0259 -7.0259 -6.9041 -6.9041 -6.4460 -6.4460 -5.1139 -5.1139 -5.1001 -5.1001 -4.8950 -4.8950 -4.8146 -4.8146 -4.4703 -4.4703 -4.4093 -4.4093 0.0175 0.0175 0.6211 0.6211 3.1992 3.1992 4.3857 4.3857 4.7986 4.7986 6.1756 6.1756 6.4841 6.4841 6.5849 6.5849 7.1727 7.1727 7.8742 7.8742 8.3452 8.3452 8.4029 8.4029 8.4590 8.4590 9.4369 9.4369 k =-0.1373 0.4075 0.5197 ( 6961 PWs) bands (ev): -20.2589 -20.2589 -20.2133 -20.2133 -19.6969 -19.6969 -7.0276 -7.0276 -6.9109 -6.9109 -6.4510 -6.4510 -5.1224 -5.1224 -5.1013 -5.1013 -4.9006 -4.9006 -4.8166 -4.8166 -4.4846 -4.4846 -4.4079 -4.4079 0.0721 0.0721 0.6625 0.6625 3.1713 3.1713 4.2787 4.2787 4.7626 4.7626 6.2027 6.2027 6.4777 6.4777 6.5946 6.5946 7.1361 7.1361 7.7908 7.7908 8.3137 8.3137 8.3707 8.3707 8.4209 8.4209 9.4814 9.4814 k =-0.1438 0.4269 0.5444 ( 6955 PWs) bands (ev): -20.2565 -20.2565 -20.2131 -20.2131 -19.6956 -19.6956 -7.0291 -7.0291 -6.9177 -6.9177 -6.4560 -6.4560 -5.1311 -5.1311 -5.1026 -5.1026 -4.9058 -4.9058 -4.8182 -4.8182 -4.4984 -4.4984 -4.4063 -4.4063 0.1283 0.1283 0.7052 0.7052 3.1336 3.1336 4.1719 4.1719 4.7407 4.7407 6.2334 6.2334 6.4723 6.4723 6.6023 6.6023 7.0897 7.0897 7.7108 7.7108 8.2788 8.2788 8.3356 8.3356 8.3893 8.3893 9.5354 9.5354 k =-0.1504 0.4463 0.5692 ( 6951 PWs) bands (ev): -20.2541 -20.2541 -20.2130 -20.2130 -19.6944 -19.6944 -7.0306 -7.0306 -6.9247 -6.9247 -6.4610 -6.4610 -5.1394 -5.1394 -5.1046 -5.1046 -4.9105 -4.9105 -4.8196 -4.8196 -4.5117 -4.5117 -4.4046 -4.4046 0.1860 0.1860 0.7489 0.7489 3.0867 3.0867 4.0661 4.0661 4.7324 4.7324 6.2672 6.2672 6.4680 6.4680 6.6077 6.6077 7.0340 7.0340 7.6341 7.6341 8.2380 8.2380 8.3033 8.3033 8.3645 8.3645 9.5966 9.5966 k =-0.1569 0.4657 0.5939 ( 6955 PWs) bands (ev): -20.2517 -20.2517 -20.2130 -20.2130 -19.6931 -19.6931 -7.0319 -7.0319 -6.9316 -6.9316 -6.4660 -6.4660 -5.1471 -5.1471 -5.1072 -5.1072 -4.9144 -4.9144 -4.8207 -4.8207 -4.5244 -4.5244 -4.4029 -4.4029 0.2451 0.2451 0.7934 0.7934 3.0314 3.0314 3.9618 3.9618 4.7371 4.7371 6.3036 6.3036 6.4652 6.4652 6.6106 6.6106 6.9701 6.9701 7.5609 7.5609 8.1895 8.1895 8.2781 8.2781 8.3469 8.3469 9.6631 9.6632 k =-0.1635 0.4851 0.6187 ( 6955 PWs) bands (ev): -20.2493 -20.2493 -20.2131 -20.2131 -19.6920 -19.6920 -7.0331 -7.0331 -6.9386 -6.9386 -6.4708 -6.4708 -5.1543 -5.1543 -5.1106 -5.1106 -4.9175 -4.9175 -4.8219 -4.8219 -4.5364 -4.5364 -4.4012 -4.4012 0.3053 0.3053 0.8386 0.8386 2.9691 2.9691 3.8597 3.8597 4.7536 4.7536 6.3420 6.3420 6.4641 6.4641 6.6109 6.6109 6.8990 6.8990 7.4911 7.4911 8.1348 8.1348 8.2598 8.2598 8.3367 8.3367 9.6185 9.6185 k =-0.1700 0.5045 0.6434 ( 6947 PWs) bands (ev): -20.2469 -20.2469 -20.2132 -20.2132 -19.6908 -19.6908 -7.0340 -7.0340 -6.9455 -6.9455 -6.4755 -6.4755 -5.1607 -5.1607 -5.1147 -5.1147 -4.9197 -4.9197 -4.8231 -4.8231 -4.5477 -4.5477 -4.3994 -4.3994 0.3664 0.3664 0.8840 0.8840 2.9014 2.9014 3.7604 3.7604 4.7804 4.7804 6.3815 6.3815 6.4654 6.4654 6.6086 6.6086 6.8221 6.8221 7.4247 7.4247 8.0762 8.0762 8.2470 8.2470 8.3340 8.3340 9.5786 9.5786 k =-0.1765 0.5239 0.6682 ( 6959 PWs) bands (ev): -20.2446 -20.2446 -20.2134 -20.2134 -19.6898 -19.6898 -7.0348 -7.0348 -6.9524 -6.9524 -6.4801 -6.4801 -5.1665 -5.1665 -5.1195 -5.1195 -4.9210 -4.9210 -4.8244 -4.8244 -4.5580 -4.5580 -4.3977 -4.3977 0.4280 0.4280 0.9294 0.9294 2.8297 2.8297 3.6644 3.6644 4.8164 4.8164 6.4195 6.4195 6.4713 6.4713 6.6037 6.6037 6.7407 6.7407 7.3617 7.3617 8.0155 8.0155 8.2385 8.2385 8.3386 8.3386 9.5408 9.5408 k =-0.1831 0.5433 0.6929 ( 6951 PWs) bands (ev): -20.2423 -20.2423 -20.2137 -20.2137 -19.6888 -19.6888 -7.0353 -7.0353 -6.9591 -6.9591 -6.4844 -6.4844 -5.1715 -5.1715 -5.1247 -5.1247 -4.9216 -4.9216 -4.8260 -4.8260 -4.5675 -4.5675 -4.3960 -4.3960 0.4899 0.4899 0.9744 0.9744 2.7556 2.7556 3.5724 3.5724 4.8603 4.8603 6.4474 6.4474 6.4901 6.4901 6.5961 6.5961 6.6567 6.6567 7.3022 7.3022 7.9538 7.9538 8.2334 8.2334 8.3503 8.3503 9.5056 9.5056 k =-0.1896 0.5627 0.7176 ( 6949 PWs) bands (ev): -20.2400 -20.2400 -20.2141 -20.2141 -19.6878 -19.6878 -7.0355 -7.0355 -6.9657 -6.9657 -6.4885 -6.4885 -5.1757 -5.1757 -5.1303 -5.1303 -4.9215 -4.9215 -4.8279 -4.8279 -4.5759 -4.5759 -4.3943 -4.3943 0.5515 0.5515 1.0184 1.0184 2.6806 2.6806 3.4849 3.4849 4.9109 4.9109 6.4595 6.4595 6.5256 6.5256 6.5668 6.5668 6.5917 6.5917 7.2460 7.2460 7.8921 7.8921 8.2311 8.2311 8.3689 8.3689 9.4733 9.4733 k =-0.1962 0.5821 0.7424 ( 6944 PWs) bands (ev): -20.2378 -20.2378 -20.2146 -20.2146 -19.6870 -19.6870 -7.0353 -7.0353 -6.9721 -6.9721 -6.4922 -6.4922 -5.1791 -5.1791 -5.1360 -5.1360 -4.9208 -4.9208 -4.8302 -4.8302 -4.5833 -4.5833 -4.3927 -4.3927 0.6124 0.6124 1.0608 1.0608 2.6061 2.6061 3.4028 3.4028 4.9673 4.9673 6.4540 6.4540 6.4938 6.4938 6.5654 6.5654 6.5830 6.5830 7.1933 7.1933 7.8312 7.8312 8.2312 8.2312 8.3939 8.3939 9.4443 9.4443 k =-0.2027 0.6015 0.7671 ( 6936 PWs) bands (ev): -20.2357 -20.2357 -20.2152 -20.2152 -19.6862 -19.6862 -7.0349 -7.0349 -6.9783 -6.9783 -6.4957 -6.4957 -5.1817 -5.1817 -5.1419 -5.1419 -4.9195 -4.9195 -4.8328 -4.8328 -4.5897 -4.5897 -4.3912 -4.3912 0.6717 0.6717 1.1011 1.1011 2.5334 2.5334 3.3267 3.3267 5.0288 5.0288 6.3804 6.3804 6.4880 6.4880 6.5628 6.5628 6.6172 6.6172 7.1439 7.1439 7.7719 7.7719 8.2333 8.2333 8.4249 8.4249 9.4186 9.4186 k =-0.2092 0.6209 0.7919 ( 6940 PWs) bands (ev): -20.2336 -20.2336 -20.2159 -20.2159 -19.6855 -19.6855 -7.0340 -7.0340 -6.9842 -6.9842 -6.4988 -6.4988 -5.1835 -5.1835 -5.1476 -5.1476 -4.9179 -4.9179 -4.8359 -4.8359 -4.5949 -4.5949 -4.3897 -4.3897 0.7288 0.7288 1.1385 1.1385 2.4640 2.4640 3.2576 3.2576 5.0945 5.0945 6.2917 6.2917 6.4987 6.4987 6.5496 6.5496 6.6611 6.6611 7.0978 7.0978 7.7151 7.7151 8.2372 8.2372 8.4614 8.4614 9.3964 9.3964 k =-0.2158 0.6403 0.8166 ( 6936 PWs) bands (ev): -20.2316 -20.2316 -20.2167 -20.2167 -19.6849 -19.6849 -7.0328 -7.0328 -6.9899 -6.9899 -6.5014 -6.5014 -5.1845 -5.1845 -5.1532 -5.1532 -4.9159 -4.9159 -4.8395 -4.8395 -4.5990 -4.5990 -4.3884 -4.3884 0.7824 0.7824 1.1719 1.1719 2.3994 2.3994 3.1964 3.1964 5.1638 5.1638 6.2019 6.2019 6.5127 6.5127 6.5352 6.5352 6.7041 6.7041 7.0549 7.0549 7.6618 7.6618 8.2427 8.2427 8.5029 8.5029 9.3779 9.3779 k =-0.2223 0.6597 0.8414 ( 6940 PWs) bands (ev): -20.2297 -20.2297 -20.2176 -20.2176 -19.6844 -19.6844 -7.0312 -7.0312 -6.9952 -6.9952 -6.5037 -6.5037 -5.1847 -5.1847 -5.1585 -5.1585 -4.9136 -4.9136 -4.8435 -4.8435 -4.6020 -4.6020 -4.3872 -4.3872 0.8313 0.8313 1.2007 1.2007 2.3413 2.3413 3.1441 3.1441 5.2362 5.2362 6.1128 6.1128 6.5202 6.5202 6.5296 6.5296 6.7444 6.7444 7.0152 7.0152 7.6134 7.6134 8.2496 8.2496 8.5487 8.5487 9.3632 9.3632 k =-0.2288 0.6791 0.8661 ( 6940 PWs) bands (ev): -20.2279 -20.2279 -20.2186 -20.2186 -19.6840 -19.6840 -7.0291 -7.0291 -7.0002 -7.0002 -6.5056 -6.5056 -5.1841 -5.1841 -5.1634 -5.1634 -4.9112 -4.9112 -4.8479 -4.8479 -4.6039 -4.6039 -4.3861 -4.3861 0.8739 0.8739 1.2237 1.2237 2.2915 2.2915 3.1017 3.1017 5.3109 5.3109 6.0250 6.0250 6.5051 6.5051 6.5492 6.5492 6.7802 6.7802 6.9787 6.9787 7.5718 7.5718 8.2579 8.2579 8.5983 8.5983 9.3522 9.3522 k =-0.2354 0.6985 0.8909 ( 6936 PWs) bands (ev): -20.2262 -20.2262 -20.2197 -20.2197 -19.6837 -19.6837 -7.0266 -7.0266 -7.0048 -7.0048 -6.5070 -6.5070 -5.1828 -5.1828 -5.1679 -5.1679 -4.9086 -4.9086 -4.8527 -4.8527 -4.6047 -4.6047 -4.3851 -4.3851 0.9085 0.9085 1.2400 1.2400 2.2519 2.2519 3.0702 3.0702 5.3871 5.3871 5.9395 5.9395 6.4900 6.4900 6.5715 6.5715 6.8090 6.8090 6.9452 6.9452 7.5392 7.5392 8.2673 8.2673 8.6512 8.6512 9.3451 9.3451 k =-0.2419 0.7179 0.9156 ( 6936 PWs) bands (ev): -20.2245 -20.2245 -20.2210 -20.2210 -19.6835 -19.6835 -7.0237 -7.0237 -7.0091 -7.0091 -6.5079 -6.5079 -5.1809 -5.1809 -5.1716 -5.1716 -4.9059 -4.9059 -4.8578 -4.8578 -4.6044 -4.6044 -4.3844 -4.3844 0.9333 0.9333 1.2490 1.2490 2.2243 2.2243 3.0504 3.0504 5.4632 5.4632 5.8581 5.8581 6.4752 6.4752 6.5967 6.5967 6.8285 6.8285 6.9147 6.9147 7.5181 7.5181 8.2779 8.2779 8.7065 8.7065 9.3419 9.3419 k =-0.2485 0.7373 0.9404 ( 6940 PWs) bands (ev): -20.2230 -20.2230 -20.2223 -20.2223 -19.6835 -19.6835 -7.0203 -7.0203 -7.0130 -7.0130 -6.5083 -6.5083 -5.1791 -5.1791 -5.1739 -5.1739 -4.9034 -4.9034 -4.8629 -4.8629 -4.6033 -4.6033 -4.3838 -4.3838 0.9471 0.9471 1.2501 1.2501 2.2101 2.2101 3.0428 3.0428 5.5343 5.5343 5.7854 5.7854 6.4609 6.4609 6.6248 6.6248 6.8362 6.8362 6.8871 6.8871 7.5108 7.5108 8.2896 8.2896 8.7636 8.7636 9.3425 9.3425 k =-0.2550 0.7567 0.9651 ( 6940 PWs) bands (ev): -20.2238 -20.2238 -20.2216 -20.2216 -19.6835 -19.6835 -7.0167 -7.0167 -7.0162 -7.0162 -6.5083 -6.5083 -5.1797 -5.1797 -5.1726 -5.1726 -4.9011 -4.9011 -4.8680 -4.8680 -4.6012 -4.6012 -4.3833 -4.3833 0.9489 0.9489 1.2431 1.2431 2.2103 2.2103 3.0477 3.0477 5.5794 5.5794 5.7425 5.7425 6.4472 6.4472 6.6559 6.6559 6.8311 6.8311 6.8623 6.8623 7.5185 7.5185 8.3022 8.3022 8.8216 8.8216 9.3464 9.3464 k =-0.2615 0.7761 0.9899 ( 6950 PWs) bands (ev): -20.2254 -20.2254 -20.2203 -20.2203 -19.6836 -19.6836 -7.0196 -7.0196 -7.0121 -7.0121 -6.5078 -6.5078 -5.1814 -5.1814 -5.1688 -5.1688 -4.8996 -4.8996 -4.8724 -4.8724 -4.5982 -4.5982 -4.3831 -4.3831 0.9387 0.9387 1.2283 1.2283 2.2246 2.2246 3.0648 3.0648 5.5572 5.5572 5.7708 5.7708 6.4344 6.4344 6.6899 6.6899 6.8136 6.8136 6.8404 6.8404 7.5406 7.5406 8.3155 8.3155 8.8795 8.8795 9.3495 9.3495 k =-0.2615 0.7761 0.9899 ( 6950 PWs) bands (ev): -20.2254 -20.2254 -20.2203 -20.2203 -19.6836 -19.6836 -7.0196 -7.0196 -7.0121 -7.0121 -6.5078 -6.5078 -5.1814 -5.1814 -5.1688 -5.1688 -4.8996 -4.8996 -4.8724 -4.8724 -4.5982 -4.5982 -4.3831 -4.3831 0.9387 0.9387 1.2283 1.2283 2.2246 2.2246 3.0648 3.0648 5.5572 5.5572 5.7708 5.7708 6.4344 6.4344 6.6899 6.6899 6.8136 6.8136 6.8404 6.8404 7.5406 7.5406 8.3155 8.3155 8.8795 8.8795 9.3495 9.3495 k =-0.2535 0.7523 1.0107 ( 6944 PWs) bands (ev): -20.2254 -20.2254 -20.2203 -20.2203 -19.6836 -19.6836 -7.0196 -7.0196 -7.0121 -7.0121 -6.5078 -6.5078 -5.1826 -5.1826 -5.1675 -5.1675 -4.9005 -4.9005 -4.8718 -4.8718 -4.5982 -4.5982 -4.3833 -4.3833 0.9389 0.9389 1.2272 1.2272 2.2238 2.2238 3.0658 3.0658 5.5575 5.5575 5.7689 5.7689 6.4359 6.4359 6.6922 6.6922 6.8125 6.8125 6.8436 6.8436 7.5421 7.5421 8.3167 8.3167 8.8586 8.8586 9.3597 9.3597 k =-0.2455 0.7284 1.0315 ( 6953 PWs) bands (ev): -20.2253 -20.2253 -20.2203 -20.2203 -19.6836 -19.6836 -7.0197 -7.0197 -7.0122 -7.0122 -6.5078 -6.5078 -5.1853 -5.1853 -5.1644 -5.1644 -4.9032 -4.9032 -4.8702 -4.8702 -4.5982 -4.5982 -4.3840 -4.3840 0.9393 0.9393 1.2239 1.2239 2.2213 2.2213 3.0688 3.0688 5.5582 5.5582 5.7633 5.7633 6.4401 6.4401 6.6990 6.6990 6.8092 6.8092 6.8530 6.8530 7.5467 7.5467 8.3201 8.3201 8.8049 8.8049 9.3609 9.3609 k =-0.2374 0.7045 1.0523 ( 6965 PWs) bands (ev): -20.2253 -20.2253 -20.2203 -20.2203 -19.6836 -19.6836 -7.0197 -7.0197 -7.0123 -7.0123 -6.5079 -6.5079 -5.1886 -5.1886 -5.1607 -5.1607 -4.9070 -4.9070 -4.8681 -4.8681 -4.5982 -4.5982 -4.3851 -4.3851 0.9400 0.9400 1.2185 1.2185 2.2173 2.2173 3.0738 3.0738 5.5594 5.5594 5.7547 5.7547 6.4470 6.4470 6.7099 6.7099 6.8041 6.8041 6.8682 6.8682 7.5543 7.5543 8.3257 8.3257 8.7333 8.7333 9.3526 9.3526 k =-0.2294 0.6807 1.0732 ( 6969 PWs) bands (ev): -20.2252 -20.2252 -20.2203 -20.2203 -19.6835 -19.6835 -7.0198 -7.0198 -7.0125 -7.0125 -6.5081 -6.5081 -5.1920 -5.1920 -5.1567 -5.1567 -4.9117 -4.9117 -4.8659 -4.8659 -4.5982 -4.5982 -4.3866 -4.3866 0.9410 0.9410 1.2111 1.2111 2.2116 2.2116 3.0806 3.0806 5.5613 5.5613 5.7435 5.7435 6.4560 6.4560 6.7243 6.7243 6.7977 6.7977 6.8884 6.8884 7.5649 7.5649 8.3333 8.3333 8.6539 8.6539 9.3418 9.3418 k =-0.2213 0.6568 1.0940 ( 6971 PWs) bands (ev): -20.2251 -20.2251 -20.2202 -20.2202 -19.6834 -19.6834 -7.0199 -7.0199 -7.0128 -7.0128 -6.5082 -6.5082 -5.1953 -5.1953 -5.1525 -5.1525 -4.9169 -4.9169 -4.8638 -4.8638 -4.5982 -4.5982 -4.3885 -4.3885 0.9422 0.9422 1.2017 1.2017 2.2044 2.2044 3.0893 3.0893 5.5638 5.5638 5.7308 5.7308 6.4665 6.4665 6.7407 6.7407 6.7915 6.7915 6.9128 6.9128 7.5787 7.5787 8.3428 8.3428 8.5717 8.5717 9.3311 9.3311 k =-0.2133 0.6330 1.1148 ( 6957 PWs) bands (ev): -20.2250 -20.2250 -20.2202 -20.2202 -19.6833 -19.6833 -7.0201 -7.0201 -7.0131 -7.0131 -6.5084 -6.5084 -5.1984 -5.1984 -5.1483 -5.1483 -4.9225 -4.9225 -4.8619 -4.8619 -4.5983 -4.5983 -4.3908 -4.3908 0.9436 0.9436 1.1904 1.1904 2.1957 2.1957 3.0998 3.0998 5.5669 5.5669 5.7175 5.7175 6.4775 6.4775 6.7553 6.7553 6.7893 6.7893 6.9405 6.9405 7.5955 7.5955 8.3538 8.3538 8.4896 8.4896 9.3227 9.3227 k =-0.2053 0.6091 1.1357 ( 6953 PWs) bands (ev): -20.2248 -20.2248 -20.2201 -20.2201 -19.6832 -19.6832 -7.0203 -7.0203 -7.0135 -7.0135 -6.5086 -6.5086 -5.2014 -5.2014 -5.1441 -5.1441 -4.9284 -4.9284 -4.8604 -4.8604 -4.5983 -4.5983 -4.3934 -4.3934 0.9450 0.9450 1.1775 1.1775 2.1857 2.1857 3.1118 3.1118 5.5706 5.5706 5.7047 5.7047 6.4878 6.4878 6.7604 6.7604 6.7995 6.7995 6.9707 6.9707 7.6152 7.6152 8.3655 8.3655 8.4099 8.4099 9.3182 9.3182 k =-0.1972 0.5853 1.1565 ( 6952 PWs) bands (ev): -20.2247 -20.2247 -20.2201 -20.2201 -19.6831 -19.6831 -7.0204 -7.0204 -7.0139 -7.0139 -6.5089 -6.5089 -5.2042 -5.2042 -5.1401 -5.1401 -4.9344 -4.9344 -4.8592 -4.8592 -4.5983 -4.5983 -4.3963 -4.3963 0.9466 0.9466 1.1631 1.1631 2.1744 2.1744 3.1254 3.1254 5.5746 5.5746 5.6934 5.6934 6.4956 6.4956 6.7594 6.7594 6.8188 6.8188 7.0027 7.0027 7.6377 7.6377 8.3291 8.3291 8.3821 8.3821 9.3190 9.3190 k =-0.1892 0.5614 1.1773 ( 6944 PWs) bands (ev): -20.2245 -20.2245 -20.2200 -20.2200 -19.6830 -19.6830 -7.0207 -7.0207 -7.0143 -7.0143 -6.5092 -6.5092 -5.2068 -5.2068 -5.1361 -5.1361 -4.9405 -4.9405 -4.8583 -4.8583 -4.5984 -4.5984 -4.3994 -4.3994 0.9482 0.9482 1.1474 1.1474 2.1620 2.1620 3.1404 3.1404 5.5787 5.5787 5.6847 5.6847 6.4992 6.4992 6.7604 6.7604 6.8401 6.8401 7.0362 7.0362 7.6626 7.6626 8.2555 8.2555 8.3963 8.3963 9.3260 9.3260 k =-0.1811 0.5375 1.1982 ( 6946 PWs) bands (ev): -20.2243 -20.2243 -20.2199 -20.2199 -19.6829 -19.6829 -7.0209 -7.0209 -7.0148 -7.0148 -6.5095 -6.5095 -5.2090 -5.2090 -5.1324 -5.1324 -4.9464 -4.9464 -4.8580 -4.8580 -4.5985 -4.5985 -4.4027 -4.4027 0.9498 0.9498 1.1306 1.1306 2.1485 2.1485 3.1565 3.1565 5.5823 5.5823 5.6796 5.6796 6.4970 6.4970 6.7664 6.7664 6.8603 6.8603 7.0708 7.0708 7.6892 7.6892 8.1858 8.1858 8.4121 8.4121 9.3398 9.3398 k =-0.1731 0.5137 1.2190 ( 6946 PWs) bands (ev): -20.2241 -20.2241 -20.2198 -20.2198 -19.6827 -19.6827 -7.0211 -7.0211 -7.0154 -7.0154 -6.5098 -6.5098 -5.2110 -5.2110 -5.1290 -5.1290 -4.9523 -4.9523 -4.8580 -4.8580 -4.5986 -4.5986 -4.4062 -4.4062 0.9512 0.9512 1.1128 1.1128 2.1342 2.1342 3.1737 3.1737 5.5851 5.5851 5.6790 5.6790 6.4886 6.4886 6.7783 6.7783 6.8778 6.8778 7.1063 7.1063 7.7161 7.7161 8.1222 8.1222 8.4288 8.4288 9.3606 9.3606 k =-0.1651 0.4898 1.2398 ( 6940 PWs) bands (ev): -20.2239 -20.2239 -20.2198 -20.2198 -19.6826 -19.6826 -7.0214 -7.0214 -7.0160 -7.0160 -6.5102 -6.5102 -5.2127 -5.2127 -5.1259 -5.1259 -4.9578 -4.9578 -4.8584 -4.8584 -4.5987 -4.5987 -4.4098 -4.4098 0.9526 0.9526 1.0944 1.0944 2.1191 2.1191 3.1918 3.1918 5.5874 5.5874 5.6830 5.6830 6.4744 6.4744 6.7958 6.7958 6.8915 6.8915 7.1426 7.1426 7.7407 7.7407 8.0674 8.0674 8.4464 8.4464 9.3885 9.3885 k =-0.1570 0.4660 1.2606 ( 6947 PWs) bands (ev): -20.2237 -20.2237 -20.2197 -20.2197 -19.6824 -19.6824 -7.0217 -7.0217 -7.0166 -7.0166 -6.5106 -6.5106 -5.2141 -5.2141 -5.1232 -5.1232 -4.9630 -4.9630 -4.8593 -4.8593 -4.5989 -4.5989 -4.4134 -4.4134 0.9537 0.9537 1.0755 1.0755 2.1035 2.1035 3.2106 3.2106 5.5897 5.5897 5.6910 5.6910 6.4557 6.4557 6.8176 6.8176 6.9007 6.9007 7.1795 7.1795 7.7581 7.7581 8.0264 8.0264 8.4647 8.4647 9.4231 9.4231 k =-0.1490 0.4421 1.2815 ( 6941 PWs) bands (ev): -20.2234 -20.2234 -20.2196 -20.2196 -19.6822 -19.6822 -7.0220 -7.0220 -7.0172 -7.0172 -6.5110 -6.5110 -5.2152 -5.2152 -5.1211 -5.1211 -4.9676 -4.9676 -4.8606 -4.8606 -4.5991 -4.5991 -4.4170 -4.4170 0.9546 0.9546 1.0563 1.0563 2.0875 2.0875 3.2298 3.2298 5.5930 5.5930 5.7022 5.7022 6.4336 6.4336 6.8421 6.8421 6.9051 6.9051 7.2169 7.2169 7.7607 7.7607 8.0065 8.0065 8.4838 8.4838 9.4638 9.4638 k =-0.1409 0.4183 1.3023 ( 6945 PWs) bands (ev): -20.2232 -20.2232 -20.2195 -20.2195 -19.6821 -19.6821 -7.0223 -7.0223 -7.0179 -7.0179 -6.5114 -6.5114 -5.2159 -5.2159 -5.1196 -5.1196 -4.9716 -4.9716 -4.8624 -4.8624 -4.5994 -4.5994 -4.4206 -4.4206 0.9552 0.9552 1.0371 1.0371 2.0712 2.0712 3.2493 3.2493 5.5981 5.5981 5.7159 5.7159 6.4094 6.4094 6.8669 6.8669 6.9056 6.9056 7.2543 7.2543 7.7444 7.7444 8.0117 8.0117 8.5035 8.5035 9.5100 9.5100 k =-0.1329 0.3944 1.3231 ( 6945 PWs) bands (ev): -20.2229 -20.2229 -20.2195 -20.2195 -19.6819 -19.6819 -7.0225 -7.0225 -7.0186 -7.0186 -6.5118 -6.5118 -5.2163 -5.2163 -5.1189 -5.1189 -4.9748 -4.9748 -4.8645 -4.8645 -4.5997 -4.5997 -4.4241 -4.4241 0.9555 0.9555 1.0182 1.0182 2.0549 2.0549 3.2689 3.2689 5.6055 5.6055 5.7312 5.7312 6.3839 6.3839 6.8827 6.8827 6.9107 6.9107 7.2914 7.2914 7.7141 7.7141 8.0369 8.0369 8.5236 8.5236 9.5610 9.5610 k =-0.1249 0.3705 1.3440 ( 6943 PWs) bands (ev): -20.2227 -20.2227 -20.2194 -20.2194 -19.6817 -19.6817 -7.0228 -7.0228 -7.0193 -7.0193 -6.5122 -6.5122 -5.2163 -5.2163 -5.1189 -5.1189 -4.9771 -4.9771 -4.8670 -4.8670 -4.6001 -4.6001 -4.4274 -4.4274 0.9552 0.9552 0.9999 0.9999 2.0387 2.0387 3.2883 3.2883 5.6155 5.6155 5.7476 5.7476 6.3578 6.3578 6.8769 6.8769 6.9325 6.9325 7.3279 7.3279 7.6773 7.6773 8.0740 8.0740 8.5440 8.5440 9.6162 9.6162 k =-0.1168 0.3467 1.3648 ( 6935 PWs) bands (ev): -20.2224 -20.2224 -20.2193 -20.2193 -19.6816 -19.6816 -7.0231 -7.0231 -7.0201 -7.0201 -6.5127 -6.5127 -5.2159 -5.2159 -5.1197 -5.1197 -4.9785 -4.9785 -4.8699 -4.8699 -4.6005 -4.6005 -4.4306 -4.4306 0.9539 0.9539 0.9828 0.9828 2.0228 2.0228 3.3073 3.3073 5.6282 5.6282 5.7647 5.7647 6.3319 6.3319 6.8612 6.8612 6.9589 6.9589 7.3634 7.3634 7.6389 7.6389 8.1179 8.1179 8.5642 8.5642 9.6751 9.6751 k =-0.1088 0.3228 1.3856 ( 6935 PWs) bands (ev): -20.2222 -20.2222 -20.2193 -20.2193 -19.6814 -19.6814 -7.0234 -7.0234 -7.0208 -7.0208 -6.5131 -6.5131 -5.2151 -5.2151 -5.1214 -5.1214 -4.9790 -4.9790 -4.8731 -4.8731 -4.6010 -4.6010 -4.4336 -4.4336 0.9497 0.9497 0.9690 0.9690 2.0073 2.0073 3.3258 3.3258 5.6438 5.6438 5.7820 5.7820 6.3065 6.3065 6.8402 6.8402 6.9853 6.9853 7.3975 7.3975 7.6014 7.6014 8.1656 8.1656 8.5840 8.5840 9.7372 9.7372 k =-0.1007 0.2990 1.4065 ( 6933 PWs) bands (ev): -20.2219 -20.2219 -20.2193 -20.2193 -19.6813 -19.6813 -7.0236 -7.0236 -7.0216 -7.0216 -6.5135 -6.5135 -5.2140 -5.2140 -5.1239 -5.1239 -4.9786 -4.9786 -4.8767 -4.8767 -4.6015 -4.6015 -4.4364 -4.4364 0.9395 0.9395 0.9619 0.9619 1.9925 1.9925 3.3435 3.3435 5.6619 5.6619 5.7992 5.7992 6.2821 6.2821 6.8150 6.8150 7.0106 7.0106 7.4298 7.4298 7.5662 7.5662 8.2152 8.2152 8.6031 8.6031 9.8023 9.8023 k =-0.0927 0.2751 1.4273 ( 6925 PWs) bands (ev): -20.2217 -20.2217 -20.2192 -20.2192 -19.6811 -19.6811 -7.0238 -7.0238 -7.0223 -7.0223 -6.5139 -6.5139 -5.2125 -5.2125 -5.1270 -5.1270 -4.9772 -4.9772 -4.8806 -4.8806 -4.6021 -4.6021 -4.4389 -4.4389 0.9258 0.9258 0.9590 0.9590 1.9785 1.9785 3.3603 3.3603 5.6825 5.6825 5.8161 5.8161 6.2589 6.2589 6.7864 6.7864 7.0343 7.0343 7.4596 7.4596 7.5343 7.5343 8.2655 8.2655 8.6210 8.6210 9.8702 9.8702 k =-0.0847 0.2512 1.4481 ( 6929 PWs) bands (ev): -20.2214 -20.2214 -20.2192 -20.2192 -19.6810 -19.6810 -7.0240 -7.0240 -7.0230 -7.0230 -6.5143 -6.5143 -5.2107 -5.2107 -5.1308 -5.1308 -4.9751 -4.9751 -4.8847 -4.8847 -4.6027 -4.6027 -4.4412 -4.4412 0.9119 0.9119 0.9573 0.9573 1.9655 1.9655 3.3759 3.3759 5.7050 5.7050 5.8326 5.8326 6.2374 6.2374 6.7551 6.7551 7.0560 7.0560 7.4818 7.4818 7.5110 7.5110 8.3153 8.3153 8.6376 8.6376 9.9406 9.9406 k =-0.0766 0.2274 1.4690 ( 6931 PWs) bands (ev): -20.2212 -20.2212 -20.2192 -20.2192 -19.6808 -19.6808 -7.0241 -7.0241 -7.0237 -7.0237 -6.5146 -6.5146 -5.2085 -5.2085 -5.1351 -5.1351 -4.9723 -4.9723 -4.8890 -4.8890 -4.6033 -4.6033 -4.4433 -4.4433 0.8988 0.8988 0.9558 0.9558 1.9535 1.9535 3.3902 3.3902 5.7290 5.7290 5.8488 5.8488 6.2177 6.2177 6.7218 6.7218 7.0755 7.0755 7.4708 7.4708 7.5217 7.5217 8.3637 8.3637 8.6525 8.6525 10.0133 10.0133 k =-0.0686 0.2035 1.4898 ( 6936 PWs) bands (ev): -20.2210 -20.2210 -20.2192 -20.2192 -19.6807 -19.6807 -7.0244 -7.0244 -7.0242 -7.0242 -6.5150 -6.5150 -5.2059 -5.2059 -5.1397 -5.1397 -4.9690 -4.9690 -4.8936 -4.8936 -4.6038 -4.6038 -4.4451 -4.4451 0.8870 0.8870 0.9544 0.9544 1.9427 1.9427 3.4030 3.4030 5.7534 5.7534 5.8647 5.8647 6.2001 6.2001 6.6872 6.6872 7.0926 7.0926 7.4491 7.4491 7.5437 7.5437 8.4098 8.4098 8.6655 8.6655 10.0877 10.0877 k =-0.0605 0.1797 1.5106 ( 6938 PWs) bands (ev): -20.2207 -20.2207 -20.2192 -20.2192 -19.6806 -19.6806 -7.0250 -7.0250 -7.0243 -7.0243 -6.5153 -6.5153 -5.2031 -5.2031 -5.1445 -5.1445 -4.9652 -4.9652 -4.8983 -4.8983 -4.6044 -4.6044 -4.4466 -4.4466 0.8765 0.8765 0.9530 0.9530 1.9332 1.9332 3.4142 3.4142 5.7771 5.7771 5.8809 5.8809 6.1847 6.1847 6.6521 6.6521 7.1072 7.1072 7.4294 7.4294 7.5641 7.5641 8.4526 8.4526 8.6765 8.6765 10.1631 10.1631 k =-0.0525 0.1558 1.5314 ( 6940 PWs) bands (ev): -20.2205 -20.2205 -20.2193 -20.2193 -19.6805 -19.6805 -7.0256 -7.0256 -7.0243 -7.0243 -6.5155 -6.5155 -5.1999 -5.1999 -5.1495 -5.1495 -4.9611 -4.9611 -4.9030 -4.9030 -4.6049 -4.6049 -4.4479 -4.4479 0.8676 0.8676 0.9515 0.9515 1.9251 1.9251 3.4237 3.4237 5.7986 5.7986 5.8981 5.8981 6.1716 6.1716 6.6177 6.6177 7.1193 7.1193 7.4127 7.4127 7.5816 7.5816 8.4914 8.4914 8.6854 8.6854 10.2381 10.2381 k =-0.0445 0.1320 1.5523 ( 6939 PWs) bands (ev): -20.2203 -20.2203 -20.2193 -20.2193 -19.6805 -19.6805 -7.0262 -7.0262 -7.0243 -7.0243 -6.5157 -6.5157 -5.1965 -5.1965 -5.1545 -5.1545 -4.9569 -4.9569 -4.9076 -4.9076 -4.6054 -4.6054 -4.4490 -4.4490 0.8603 0.8603 0.9501 0.9501 1.9186 1.9186 3.4313 3.4313 5.8160 5.8160 5.9169 5.9169 6.1611 6.1611 6.5849 6.5849 7.1289 7.1289 7.3991 7.3991 7.5958 7.5958 8.5254 8.5254 8.6921 8.6921 10.3109 10.3109 k =-0.0364 0.1081 1.5731 ( 6943 PWs) bands (ev): -20.2202 -20.2202 -20.2194 -20.2194 -19.6804 -19.6804 -7.0267 -7.0267 -7.0242 -7.0242 -6.5159 -6.5159 -5.1930 -5.1930 -5.1593 -5.1593 -4.9528 -4.9528 -4.9120 -4.9120 -4.6058 -4.6058 -4.4498 -4.4498 0.8547 0.8547 0.9487 0.9487 1.9136 1.9136 3.4370 3.4370 5.8284 5.8284 5.9371 5.9371 6.1531 6.1531 6.5552 6.5552 7.1359 7.1359 7.3887 7.3887 7.6062 7.6062 8.5539 8.5539 8.6967 8.6967 10.3786 10.3786 k =-0.0284 0.0842 1.5939 ( 6939 PWs) bands (ev): -20.2200 -20.2200 -20.2195 -20.2195 -19.6803 -19.6803 -7.0272 -7.0272 -7.0240 -7.0240 -6.5160 -6.5160 -5.1896 -5.1896 -5.1637 -5.1637 -4.9491 -4.9491 -4.9158 -4.9158 -4.6061 -4.6061 -4.4504 -4.4504 0.8509 0.8509 0.9473 0.9473 1.9102 1.9102 3.4407 3.4407 5.8355 5.8355 5.9575 5.9575 6.1477 6.1477 6.5301 6.5301 7.1406 7.1406 7.3813 7.3813 7.6127 7.6127 8.5763 8.5763 8.6992 8.6992 10.4374 10.4374 k =-0.0284 0.0842 1.5939 ( 6939 PWs) bands (ev): -20.2200 -20.2200 -20.2195 -20.2195 -19.6803 -19.6803 -7.0272 -7.0272 -7.0240 -7.0240 -6.5160 -6.5160 -5.1896 -5.1896 -5.1637 -5.1637 -4.9491 -4.9491 -4.9158 -4.9158 -4.6061 -4.6061 -4.4504 -4.4504 0.8509 0.8509 0.9473 0.9473 1.9102 1.9102 3.4407 3.4407 5.8355 5.8355 5.9575 5.9575 6.1477 6.1477 6.5301 6.5301 7.1406 7.1406 7.3813 7.3813 7.6127 7.6127 8.5763 8.5763 8.6992 8.6992 10.4374 10.4374 k =-0.0189 0.0562 1.5939 ( 6931 PWs) bands (ev): -20.2197 -20.2197 -20.2195 -20.2195 -19.6802 -19.6802 -7.0279 -7.0279 -7.0240 -7.0240 -6.5164 -6.5164 -5.1862 -5.1862 -5.1683 -5.1683 -4.9469 -4.9469 -4.9180 -4.9180 -4.6071 -4.6071 -4.4505 -4.4505 0.8524 0.8524 0.9520 0.9520 1.9000 1.9000 3.4351 3.4351 5.8389 5.8389 5.9705 5.9705 6.1461 6.1461 6.5179 6.5179 7.1526 7.1526 7.3658 7.3658 7.6105 7.6105 8.5902 8.5902 8.6999 8.6999 10.4770 10.4770 k =-0.0095 0.0281 1.5939 ( 6934 PWs) bands (ev): -20.2196 -20.2196 -20.2195 -20.2195 -19.6802 -19.6802 -7.0283 -7.0283 -7.0239 -7.0239 -6.5166 -6.5166 -5.1828 -5.1828 -5.1725 -5.1725 -4.9454 -4.9454 -4.9195 -4.9195 -4.6077 -4.6077 -4.4506 -4.4506 0.8533 0.8533 0.9549 0.9549 1.8938 1.8938 3.4317 3.4317 5.8409 5.8409 5.9787 5.9787 6.1450 6.1450 6.5102 6.5102 7.1604 7.1604 7.3559 7.3559 7.6090 7.6090 8.5988 8.5988 8.7003 8.7003 10.5023 10.5023 k = 0.0000 0.0000 1.5939 ( 6938 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1807 -5.1807 -5.1749 -5.1749 -4.9448 -4.9448 -4.9201 -4.9201 -4.6079 -4.6079 -4.4506 -4.4506 0.8536 0.8536 0.9558 0.9558 1.8917 1.8917 3.4306 3.4306 5.8416 5.8416 5.9816 5.9816 6.1447 6.1447 6.5075 6.5075 7.1632 7.1632 7.3524 7.3524 7.6085 7.6085 8.6017 8.6017 8.7004 8.7004 10.5110 10.5110 k = 0.0000 0.0000 1.5939 ( 6938 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1807 -5.1807 -5.1749 -5.1749 -4.9448 -4.9448 -4.9201 -4.9201 -4.6079 -4.6079 -4.4506 -4.4506 0.8536 0.8536 0.9558 0.9558 1.8917 1.8917 3.4306 3.4306 5.8416 5.8416 5.9816 5.9816 6.1447 6.1447 6.5075 6.5075 7.1632 7.1632 7.3524 7.3524 7.6085 7.6085 8.6017 8.6017 8.7004 8.7004 10.5110 10.5110 k = 0.0278 0.0094 1.5939 ( 6940 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1807 -5.1807 -5.1749 -5.1749 -4.9447 -4.9447 -4.9202 -4.9202 -4.6079 -4.6079 -4.4506 -4.4506 0.8536 0.8536 0.9558 0.9558 1.8917 1.8917 3.4306 3.4306 5.8416 5.8416 5.9807 5.9807 6.1460 6.1460 6.5072 6.5072 7.1635 7.1635 7.3507 7.3507 7.6097 7.6097 8.6016 8.6016 8.7007 8.7007 10.5129 10.5129 k = 0.0556 0.0187 1.5939 ( 6942 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1807 -5.1807 -5.1749 -5.1749 -4.9444 -4.9444 -4.9205 -4.9205 -4.6078 -4.6078 -4.4507 -4.4507 0.8536 0.8536 0.9558 0.9558 1.8917 1.8917 3.4306 3.4306 5.8419 5.8419 5.9782 5.9782 6.1495 6.1495 6.5062 6.5062 7.1645 7.1645 7.3459 7.3459 7.6131 7.6131 8.6011 8.6011 8.7013 8.7013 10.5184 10.5184 k = 0.0833 0.0281 1.5939 ( 6940 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1808 -5.1808 -5.1749 -5.1749 -4.9439 -4.9439 -4.9210 -4.9210 -4.6078 -4.6078 -4.4507 -4.4507 0.8537 0.8537 0.9557 0.9557 1.8917 1.8917 3.4306 3.4306 5.8423 5.8423 5.9747 5.9747 6.1549 6.1549 6.5046 6.5046 7.1661 7.1661 7.3387 7.3387 7.6182 7.6182 8.6004 8.6004 8.7022 8.7022 10.5258 10.5258 k = 0.1111 0.0374 1.5939 ( 6940 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1808 -5.1808 -5.1748 -5.1748 -4.9433 -4.9433 -4.9216 -4.9216 -4.6077 -4.6077 -4.4507 -4.4507 0.8537 0.8537 0.9557 0.9557 1.8917 1.8917 3.4306 3.4306 5.8427 5.8427 5.9705 5.9705 6.1612 6.1612 6.5027 6.5027 7.1680 7.1680 7.3302 7.3302 7.6240 7.6240 8.5996 8.5996 8.7033 8.7033 10.5307 10.5307 k = 0.1389 0.0468 1.5939 ( 6940 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1809 -5.1809 -5.1748 -5.1748 -4.9426 -4.9426 -4.9223 -4.9223 -4.6077 -4.6077 -4.4507 -4.4507 0.8538 0.8538 0.9556 0.9556 1.8917 1.8917 3.4306 3.4306 5.8432 5.8432 5.9664 5.9664 6.1676 6.1676 6.5007 6.5007 7.1700 7.1700 7.3215 7.3215 7.6298 7.6298 8.5987 8.5987 8.7044 8.7044 10.5284 10.5284 k = 0.1667 0.0562 1.5939 ( 6946 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1809 -5.1809 -5.1748 -5.1748 -4.9419 -4.9419 -4.9230 -4.9230 -4.6076 -4.6076 -4.4507 -4.4507 0.8539 0.8539 0.9555 0.9555 1.8917 1.8917 3.4306 3.4306 5.8437 5.8437 5.9628 5.9628 6.1735 6.1735 6.4989 6.4989 7.1719 7.1719 7.3135 7.3135 7.6350 7.6350 8.5979 8.5979 8.7055 8.7055 10.5224 10.5224 k = 0.1944 0.0655 1.5939 ( 6948 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1810 -5.1810 -5.1748 -5.1748 -4.9413 -4.9413 -4.9237 -4.9237 -4.6076 -4.6076 -4.4508 -4.4508 0.8539 0.8539 0.9555 0.9555 1.8917 1.8917 3.4306 3.4306 5.8440 5.8440 5.9599 5.9599 6.1781 6.1781 6.4974 6.4974 7.1734 7.1734 7.3072 7.3072 7.6391 7.6391 8.5973 8.5973 8.7064 8.7064 10.5167 10.5167 k = 0.2222 0.0749 1.5939 ( 6952 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1810 -5.1810 -5.1747 -5.1747 -4.9409 -4.9409 -4.9241 -4.9241 -4.6075 -4.6075 -4.4508 -4.4508 0.8539 0.8539 0.9554 0.9554 1.8917 1.8917 3.4306 3.4306 5.8443 5.8443 5.9581 5.9581 6.1811 6.1811 6.4964 6.4964 7.1744 7.1744 7.3032 7.3032 7.6417 7.6417 8.5969 8.5969 8.7069 8.7069 10.5128 10.5128 k = 0.2500 0.0842 1.5939 ( 6952 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1810 -5.1810 -5.1747 -5.1747 -4.9407 -4.9407 -4.9242 -4.9242 -4.6075 -4.6075 -4.4508 -4.4508 0.8539 0.8539 0.9554 0.9554 1.8917 1.8917 3.4306 3.4306 5.8444 5.8444 5.9575 5.9575 6.1821 6.1821 6.4960 6.4960 7.1748 7.1748 7.3018 7.3018 7.6426 7.6426 8.5968 8.5968 8.7071 8.7071 10.5114 10.5114 k = 0.2500 0.0842 1.5939 ( 6952 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1810 -5.1810 -5.1747 -5.1747 -4.9407 -4.9407 -4.9242 -4.9242 -4.6075 -4.6075 -4.4508 -4.4508 0.8539 0.8539 0.9554 0.9554 1.8917 1.8917 3.4306 3.4306 5.8444 5.8444 5.9575 5.9575 6.1821 6.1821 6.4960 6.4960 7.1748 7.1748 7.3018 7.3018 7.6426 7.6426 8.5968 8.5968 8.7071 8.7071 10.5114 10.5114 k = 0.2419 0.1082 1.5730 ( 6950 PWs) bands (ev): -20.2196 -20.2196 -20.2195 -20.2195 -19.6802 -19.6802 -7.0284 -7.0284 -7.0239 -7.0239 -6.5167 -6.5167 -5.1836 -5.1836 -5.1719 -5.1719 -4.9425 -4.9425 -4.9224 -4.9224 -4.6075 -4.6075 -4.4507 -4.4507 0.8549 0.8549 0.9555 0.9555 1.8926 1.8926 3.4296 3.4296 5.8427 5.8427 5.9539 5.9539 6.1838 6.1838 6.5006 6.5006 7.1737 7.1737 7.3031 7.3031 7.6407 7.6407 8.5931 8.5931 8.7061 8.7061 10.4906 10.4906 k = 0.2339 0.1321 1.5521 ( 6940 PWs) bands (ev): -20.2196 -20.2196 -20.2196 -20.2196 -19.6802 -19.6802 -7.0283 -7.0283 -7.0238 -7.0238 -6.5166 -6.5166 -5.1879 -5.1879 -5.1671 -5.1671 -4.9464 -4.9464 -4.9184 -4.9184 -4.6073 -4.6073 -4.4503 -4.4503 0.8576 0.8576 0.9557 0.9557 1.8951 1.8951 3.4265 3.4265 5.8380 5.8380 5.9435 5.9435 6.1887 6.1887 6.5139 6.5139 7.1706 7.1706 7.3070 7.3070 7.6352 7.6352 8.5822 8.5822 8.7029 8.7029 10.4409 10.4409 k = 0.2258 0.1560 1.5312 ( 6932 PWs) bands (ev): -20.2196 -20.2196 -20.2196 -20.2196 -19.6802 -19.6802 -7.0282 -7.0282 -7.0237 -7.0237 -6.5165 -6.5165 -5.1921 -5.1921 -5.1619 -5.1619 -4.9511 -4.9511 -4.9134 -4.9134 -4.6071 -4.6071 -4.4498 -4.4498 0.8621 0.8621 0.9561 0.9561 1.8992 1.8992 3.4214 3.4214 5.8302 5.8302 5.9276 5.9276 6.1967 6.1967 6.5346 6.5346 7.1655 7.1655 7.3135 7.3135 7.6261 7.6261 8.5643 8.5643 8.6978 8.6978 10.3786 10.3786 k = 0.2177 0.1800 1.5104 ( 6930 PWs) bands (ev): -20.2197 -20.2197 -20.2197 -20.2197 -19.6803 -19.6803 -7.0280 -7.0280 -7.0235 -7.0235 -6.5163 -6.5163 -5.1961 -5.1961 -5.1566 -5.1566 -4.9559 -4.9559 -4.9083 -4.9083 -4.6069 -4.6069 -4.4490 -4.4490 0.8684 0.8684 0.9566 0.9566 1.9050 1.9050 3.4144 3.4144 5.8198 5.8198 5.9075 5.9075 6.2074 6.2074 6.5610 6.5610 7.1583 7.1583 7.3226 7.3226 7.6136 7.6136 8.5397 8.5397 8.6907 8.6907 10.3124 10.3124 k = 0.2097 0.2039 1.4895 ( 6934 PWs) bands (ev): -20.2197 -20.2197 -20.2197 -20.2197 -19.6804 -19.6804 -7.0278 -7.0278 -7.0232 -7.0232 -6.5161 -6.5161 -5.1998 -5.1998 -5.1512 -5.1512 -4.9606 -4.9606 -4.9030 -4.9030 -4.6065 -4.6065 -4.4480 -4.4480 0.8764 0.8764 0.9571 0.9571 1.9123 1.9123 3.4055 3.4055 5.8070 5.8070 5.8849 5.8849 6.2207 6.2207 6.5914 6.5914 7.1490 7.1490 7.3344 7.3344 7.5980 7.5980 8.5088 8.5088 8.6819 8.6819 10.2465 10.2465 k = 0.2016 0.2278 1.4686 ( 6940 PWs) bands (ev): -20.2198 -20.2198 -20.2198 -20.2198 -19.6804 -19.6804 -7.0275 -7.0275 -7.0229 -7.0229 -6.5159 -6.5159 -5.2033 -5.2033 -5.1460 -5.1460 -4.9650 -4.9650 -4.8978 -4.8978 -4.6061 -4.6061 -4.4467 -4.4467 0.8861 0.8861 0.9578 0.9578 1.9210 1.9210 3.3948 3.3948 5.7924 5.7924 5.8610 5.8610 6.2361 6.2361 6.6242 6.6242 7.1375 7.1375 7.3489 7.3489 7.5795 7.5795 8.4722 8.4722 8.6717 8.6717 10.1833 10.1833 k = 0.1935 0.2518 1.4477 ( 6942 PWs) bands (ev): -20.2199 -20.2199 -20.2199 -20.2199 -19.6805 -19.6805 -7.0272 -7.0272 -7.0225 -7.0225 -6.5156 -6.5156 -5.2063 -5.2063 -5.1409 -5.1409 -4.9690 -4.9690 -4.8928 -4.8928 -4.6057 -4.6057 -4.4452 -4.4452 0.8972 0.8972 0.9586 0.9586 1.9311 1.9311 3.3825 3.3825 5.7761 5.7761 5.8367 5.8367 6.2535 6.2535 6.6581 6.6581 7.1239 7.1239 7.3662 7.3662 7.5587 7.5587 8.4305 8.4305 8.6603 8.6603 10.1236 10.1236 k = 0.1855 0.2757 1.4268 ( 6940 PWs) bands (ev): -20.2200 -20.2200 -20.2200 -20.2200 -19.6807 -19.6807 -7.0268 -7.0268 -7.0221 -7.0221 -6.5152 -6.5152 -5.2090 -5.2090 -5.1361 -5.1361 -4.9726 -4.9726 -4.8879 -4.8879 -4.6053 -4.6053 -4.4435 -4.4435 0.9097 0.9097 0.9596 0.9596 1.9425 1.9425 3.3686 3.3686 5.7587 5.7587 5.8130 5.8130 6.2724 6.2724 6.6919 6.6919 7.1081 7.1081 7.3861 7.3861 7.5359 7.5359 8.3844 8.3844 8.6481 8.6481 10.0672 10.0672 k = 0.1774 0.2996 1.4059 ( 6940 PWs) bands (ev): -20.2202 -20.2202 -20.2201 -20.2201 -19.6808 -19.6808 -7.0265 -7.0265 -7.0217 -7.0217 -6.5149 -6.5149 -5.2114 -5.2114 -5.1317 -5.1317 -4.9755 -4.9755 -4.8832 -4.8832 -4.6048 -4.6048 -4.4415 -4.4415 0.9233 0.9233 0.9608 0.9608 1.9550 1.9550 3.3534 3.3534 5.7404 5.7404 5.7902 5.7902 6.2928 6.2928 6.7245 6.7245 7.0898 7.0898 7.4084 7.4084 7.5119 7.5119 8.3347 8.3347 8.6356 8.6356 10.0121 10.0121 k = 0.1694 0.3236 1.3850 ( 6938 PWs) bands (ev): -20.2203 -20.2203 -20.2203 -20.2203 -19.6809 -19.6809 -7.0260 -7.0260 -7.0212 -7.0212 -6.5145 -6.5145 -5.2133 -5.2133 -5.1279 -5.1279 -4.9778 -4.9778 -4.8788 -4.8788 -4.6044 -4.6044 -4.4392 -4.4392 0.9374 0.9374 0.9628 0.9628 1.9685 1.9685 3.3369 3.3369 5.7217 5.7217 5.7690 5.7690 6.3144 6.3144 6.7550 6.7550 7.0692 7.0692 7.4313 7.4313 7.4887 7.4887 8.2823 8.2823 8.6233 8.6233 9.9538 9.9538 k = 0.1613 0.3475 1.3641 ( 6930 PWs) bands (ev): -20.2204 -20.2204 -20.2204 -20.2204 -19.6811 -19.6811 -7.0256 -7.0256 -7.0207 -7.0207 -6.5141 -6.5141 -5.2149 -5.2149 -5.1246 -5.1246 -4.9792 -4.9792 -4.8747 -4.8747 -4.6040 -4.6040 -4.4367 -4.4367 0.9496 0.9496 0.9677 0.9677 1.9829 1.9829 3.3194 3.3194 5.7029 5.7029 5.7495 5.7495 6.3368 6.3368 6.7828 6.7828 7.0461 7.0461 7.4411 7.4411 7.4803 7.4803 8.2280 8.2280 8.6118 8.6118 9.8892 9.8892 k = 0.1532 0.3714 1.3432 ( 6928 PWs) bands (ev): -20.2206 -20.2206 -20.2206 -20.2206 -19.6812 -19.6812 -7.0252 -7.0252 -7.0202 -7.0202 -6.5137 -6.5137 -5.2161 -5.2161 -5.1221 -5.1221 -4.9797 -4.9797 -4.8708 -4.8708 -4.6037 -4.6037 -4.4339 -4.4339 0.9557 0.9557 0.9795 0.9795 1.9980 1.9980 3.3010 3.3010 5.6842 5.6842 5.7322 5.7322 6.3600 6.3600 6.8071 6.8071 7.0207 7.0207 7.4211 7.4211 7.5037 7.5037 8.1725 8.1725 8.6018 8.6018 9.8198 9.8198 k = 0.1452 0.3954 1.3223 ( 6924 PWs) bands (ev): -20.2207 -20.2207 -20.2207 -20.2207 -19.6814 -19.6814 -7.0247 -7.0247 -7.0197 -7.0197 -6.5133 -6.5133 -5.2169 -5.2169 -5.1204 -5.1204 -4.9793 -4.9793 -4.8673 -4.8673 -4.6033 -4.6033 -4.4310 -4.4310 0.9578 0.9578 0.9961 0.9961 2.0137 2.0137 3.2820 3.2820 5.6661 5.6661 5.7171 5.7171 6.3835 6.3835 6.8274 6.8274 6.9932 6.9932 7.3934 7.3934 7.5366 7.5366 8.1167 8.1167 8.5939 8.5939 9.7485 9.7485 k = 0.1371 0.4193 1.3014 ( 6922 PWs) bands (ev): -20.2209 -20.2209 -20.2209 -20.2209 -19.6816 -19.6816 -7.0243 -7.0243 -7.0192 -7.0192 -6.5128 -6.5128 -5.2174 -5.2174 -5.1196 -5.1196 -4.9779 -4.9779 -4.8642 -4.8642 -4.6031 -4.6031 -4.4278 -4.4278 0.9586 0.9586 1.0145 1.0145 2.0297 2.0297 3.2625 3.2625 5.6489 5.6489 5.7044 5.7044 6.4072 6.4072 6.8433 6.8433 6.9640 6.9640 7.3636 7.3636 7.5731 7.5731 8.0614 8.0614 8.5888 8.5888 9.6769 9.6769 k = 0.1290 0.4432 1.2805 ( 6920 PWs) bands (ev): -20.2210 -20.2210 -20.2210 -20.2210 -19.6817 -19.6817 -7.0238 -7.0238 -7.0187 -7.0187 -6.5124 -6.5124 -5.2174 -5.2174 -5.1196 -5.1196 -4.9756 -4.9756 -4.8614 -4.8614 -4.6029 -4.6029 -4.4245 -4.4245 0.9589 0.9589 1.0337 1.0337 2.0459 2.0459 3.2428 3.2428 5.6326 5.6326 5.6942 5.6942 6.4305 6.4305 6.8544 6.8544 6.9337 6.9337 7.3323 7.3323 7.6122 7.6122 8.0074 8.0074 8.5873 8.5873 9.6060 9.6060 k = 0.1210 0.4672 1.2596 ( 6924 PWs) bands (ev): -20.2212 -20.2212 -20.2212 -20.2212 -19.6819 -19.6819 -7.0233 -7.0233 -7.0181 -7.0181 -6.5120 -6.5120 -5.2171 -5.2171 -5.1204 -5.1204 -4.9724 -4.9724 -4.8590 -4.8590 -4.6027 -4.6027 -4.4210 -4.4210 0.9589 0.9589 1.0533 1.0533 2.0621 2.0621 3.2231 3.2231 5.6178 5.6178 5.6866 5.6866 6.4530 6.4530 6.8601 6.8601 6.9037 6.9037 7.2996 7.2996 7.6530 7.6530 7.9559 7.9559 8.5897 8.5897 9.5362 9.5362 k = 0.1129 0.4911 1.2387 ( 6934 PWs) bands (ev): -20.2214 -20.2214 -20.2213 -20.2213 -19.6821 -19.6821 -7.0229 -7.0229 -7.0176 -7.0176 -6.5116 -6.5116 -5.2164 -5.2164 -5.1220 -5.1220 -4.9684 -4.9684 -4.8570 -4.8570 -4.6026 -4.6026 -4.4174 -4.4174 0.9587 0.9587 1.0731 1.0731 2.0782 2.0782 3.2035 3.2035 5.6045 5.6045 5.6814 5.6814 6.4741 6.4741 6.8570 6.8570 6.8782 6.8782 7.2656 7.2656 7.6934 7.6934 7.9090 7.9090 8.5967 8.5967 9.4681 9.4681 k = 0.1048 0.5150 1.2178 ( 6938 PWs) bands (ev): -20.2215 -20.2215 -20.2215 -20.2215 -19.6822 -19.6822 -7.0225 -7.0225 -7.0171 -7.0171 -6.5112 -6.5112 -5.2154 -5.2154 -5.1241 -5.1241 -4.9637 -4.9637 -4.8555 -4.8555 -4.6026 -4.6026 -4.4138 -4.4138 0.9582 0.9582 1.0929 1.0929 2.0940 2.0940 3.1843 3.1843 5.5929 5.5929 5.6788 5.6788 6.4930 6.4930 6.8367 6.8367 6.8670 6.8670 7.2302 7.2302 7.7280 7.7280 7.8726 7.8726 8.6085 8.6085 9.4019 9.4019 k = 0.0968 0.5389 1.1969 ( 6930 PWs) bands (ev): -20.2217 -20.2217 -20.2217 -20.2217 -19.6824 -19.6824 -7.0221 -7.0221 -7.0167 -7.0167 -6.5108 -6.5108 -5.2140 -5.2140 -5.1269 -5.1269 -4.9586 -4.9586 -4.8543 -4.8543 -4.6026 -4.6026 -4.4102 -4.4102 0.9575 0.9575 1.1123 1.1123 2.1093 2.1093 3.1656 3.1656 5.5832 5.5832 5.6785 5.6785 6.5086 6.5086 6.8118 6.8118 6.8592 6.8592 7.1937 7.1937 7.7401 7.7401 7.8632 7.8632 8.6253 8.6253 9.3379 9.3379 k = 0.0887 0.5629 1.1760 ( 6928 PWs) bands (ev): -20.2218 -20.2218 -20.2218 -20.2218 -19.6825 -19.6825 -7.0217 -7.0217 -7.0162 -7.0162 -6.5104 -6.5104 -5.2123 -5.2123 -5.1301 -5.1301 -4.9531 -4.9531 -4.8535 -4.8535 -4.6026 -4.6026 -4.4066 -4.4066 0.9567 0.9567 1.1313 1.1313 2.1239 2.1239 3.1477 3.1477 5.5755 5.5755 5.6803 5.6803 6.5196 6.5196 6.7902 6.7902 6.8490 6.8490 7.1563 7.1563 7.7204 7.7204 7.8904 7.8904 8.6471 8.6471 9.2763 9.2763 k = 0.0806 0.5868 1.1551 ( 6940 PWs) bands (ev): -20.2220 -20.2220 -20.2219 -20.2219 -19.6827 -19.6827 -7.0213 -7.0213 -7.0158 -7.0158 -6.5101 -6.5101 -5.2102 -5.2102 -5.1336 -5.1336 -4.9473 -4.9473 -4.8532 -4.8532 -4.6026 -4.6026 -4.4032 -4.4032 0.9558 0.9558 1.1494 1.1494 2.1378 2.1378 3.1308 3.1308 5.5698 5.5698 5.6841 5.6841 6.5248 6.5248 6.7743 6.7743 6.8360 6.8360 7.1184 7.1184 7.6878 7.6878 7.9352 7.9352 8.6736 8.6736 9.2174 9.2174 k = 0.0726 0.6107 1.1342 ( 6948 PWs) bands (ev): -20.2221 -20.2221 -20.2221 -20.2221 -19.6828 -19.6828 -7.0210 -7.0210 -7.0154 -7.0154 -6.5098 -6.5098 -5.2079 -5.2079 -5.1375 -5.1375 -4.9414 -4.9414 -4.8533 -4.8533 -4.6027 -4.6027 -4.3999 -4.3999 0.9548 0.9548 1.1667 1.1667 2.1507 2.1507 3.1149 3.1149 5.5659 5.5659 5.6895 5.6895 6.5235 6.5235 6.7651 6.7651 6.8209 6.8209 7.0806 7.0806 7.6535 7.6535 7.9861 7.9861 8.7046 8.7046 9.1614 9.1614 k = 0.0645 0.6347 1.1133 ( 6946 PWs) bands (ev): -20.2222 -20.2222 -20.2222 -20.2222 -19.6829 -19.6829 -7.0207 -7.0207 -7.0151 -7.0151 -6.5095 -6.5095 -5.2053 -5.2053 -5.1416 -5.1416 -4.9354 -4.9354 -4.8538 -4.8538 -4.6028 -4.6028 -4.3967 -4.3967 0.9538 0.9538 1.1827 1.1827 2.1625 2.1625 3.1002 3.1002 5.5637 5.5637 5.6963 5.6963 6.5162 6.5162 6.7624 6.7624 6.8043 6.8043 7.0436 7.0436 7.6209 7.6209 8.0394 8.0394 8.7393 8.7393 9.1083 9.1083 k = 0.0565 0.6586 1.0925 ( 6948 PWs) bands (ev): -20.2223 -20.2223 -20.2223 -20.2223 -19.6831 -19.6831 -7.0204 -7.0204 -7.0147 -7.0147 -6.5092 -6.5092 -5.2024 -5.2024 -5.1458 -5.1458 -4.9296 -4.9296 -4.8546 -4.8546 -4.6029 -4.6029 -4.3938 -4.3938 0.9528 0.9528 1.1975 1.1975 2.1733 2.1733 3.0869 3.0869 5.5631 5.5631 5.7039 5.7039 6.5047 6.5047 6.7640 6.7640 6.7879 6.7879 7.0079 7.0079 7.5911 7.5911 8.0935 8.0935 8.7770 8.7770 9.0584 9.0584 k = 0.0484 0.6825 1.0716 ( 6954 PWs) bands (ev): -20.2224 -20.2224 -20.2224 -20.2224 -19.6832 -19.6832 -7.0202 -7.0202 -7.0145 -7.0145 -6.5090 -6.5090 -5.1993 -5.1993 -5.1501 -5.1501 -4.9240 -4.9240 -4.8557 -4.8557 -4.6029 -4.6029 -4.3912 -4.3912 0.9518 0.9518 1.2106 1.2106 2.1827 2.1827 3.0751 3.0751 5.5637 5.5637 5.7121 5.7121 6.4909 6.4909 6.7620 6.7620 6.7785 6.7785 6.9744 6.9744 7.5649 7.5649 8.1468 8.1468 8.8161 8.8161 9.0122 9.0122 k = 0.0403 0.7065 1.0507 ( 6946 PWs) bands (ev): -20.2225 -20.2225 -20.2225 -20.2225 -19.6833 -19.6833 -7.0200 -7.0200 -7.0142 -7.0142 -6.5088 -6.5088 -5.1959 -5.1959 -5.1545 -5.1545 -4.9188 -4.9188 -4.8571 -4.8571 -4.6030 -4.6030 -4.3890 -4.3890 0.9508 0.9508 1.2221 1.2221 2.1909 2.1909 3.0650 3.0650 5.5651 5.5651 5.7202 5.7202 6.4767 6.4767 6.7485 6.7485 6.7833 6.7833 6.9436 6.9436 7.5424 7.5424 8.1981 8.1981 8.8542 8.8542 8.9711 8.9711 k = 0.0323 0.7304 1.0298 ( 6946 PWs) bands (ev): -20.2226 -20.2226 -20.2226 -20.2226 -19.6833 -19.6833 -7.0198 -7.0198 -7.0140 -7.0140 -6.5086 -6.5086 -5.1924 -5.1924 -5.1590 -5.1590 -4.9140 -4.9140 -4.8586 -4.8586 -4.6031 -4.6031 -4.3870 -4.3870 0.9500 0.9500 1.2316 1.2316 2.1976 2.1976 3.0565 3.0565 5.5670 5.5670 5.7278 5.7278 6.4636 6.4636 6.7339 6.7339 6.7918 6.7918 6.9161 6.9161 7.5238 7.5238 8.2458 8.2458 8.8833 8.8833 8.9418 8.9418 k = 0.0242 0.7543 1.0089 ( 6948 PWs) bands (ev): -20.2226 -20.2226 -20.2226 -20.2226 -19.6834 -19.6834 -7.0197 -7.0197 -7.0139 -7.0139 -6.5085 -6.5085 -5.1886 -5.1886 -5.1634 -5.1634 -4.9099 -4.9099 -4.8601 -4.8601 -4.6031 -4.6031 -4.3855 -4.3855 0.9494 0.9494 1.2392 1.2392 2.2029 2.2029 3.0499 3.0499 5.5690 5.5690 5.7344 5.7344 6.4525 6.4525 6.7212 6.7212 6.8009 6.8009 6.8924 6.8924 7.5092 7.5092 8.2877 8.2877 8.8786 8.8786 8.9479 8.9479 k = 0.0161 0.7783 0.9880 ( 6936 PWs) bands (ev): -20.2227 -20.2227 -20.2226 -20.2226 -19.6834 -19.6834 -7.0196 -7.0196 -7.0138 -7.0138 -6.5084 -6.5084 -5.1847 -5.1847 -5.1679 -5.1679 -4.9067 -4.9067 -4.8615 -4.8615 -4.6032 -4.6032 -4.3844 -4.3844 0.9489 0.9489 1.2447 1.2447 2.2067 2.2067 3.0451 3.0451 5.5707 5.5707 5.7395 5.7395 6.4441 6.4441 6.7116 6.7116 6.8100 6.8100 6.8728 6.8728 7.4988 7.4988 8.3212 8.3212 8.8569 8.8569 8.9712 8.9712 k = 0.0081 0.8022 0.9671 ( 6936 PWs) bands (ev): -20.2227 -20.2227 -20.2227 -20.2227 -19.6835 -19.6835 -7.0196 -7.0196 -7.0137 -7.0137 -6.5084 -6.5084 -5.1807 -5.1807 -5.1722 -5.1722 -4.9046 -4.9046 -4.8624 -4.8624 -4.6032 -4.6032 -4.3838 -4.3838 0.9486 0.9486 1.2481 1.2481 2.2090 2.2090 3.0422 3.0422 5.5719 5.5719 5.7427 5.7427 6.4389 6.4389 6.7055 6.7055 6.8183 6.8183 6.8582 6.8582 7.4926 7.4926 8.3431 8.3431 8.8405 8.8405 8.9887 8.9887 k = 0.0000 0.8261 0.9462 ( 6942 PWs) bands (ev): -20.2227 -20.2227 -20.2227 -20.2227 -19.6835 -19.6835 -7.0195 -7.0195 -7.0137 -7.0137 -6.5084 -6.5084 -5.1765 -5.1765 -5.1765 -5.1765 -4.9039 -4.9039 -4.8628 -4.8628 -4.6032 -4.6032 -4.3835 -4.3835 0.9485 0.9485 1.2492 1.2492 2.2098 2.2098 3.0412 3.0412 5.5723 5.5723 5.7438 5.7438 6.4371 6.4371 6.7035 6.7035 6.8225 6.8225 6.8519 6.8519 7.4905 7.4905 8.3508 8.3508 8.8346 8.8346 8.9950 8.9950 k = 0.0000 0.8261 0.9462 ( 6942 PWs) bands (ev): -20.2227 -20.2227 -20.2227 -20.2227 -19.6835 -19.6835 -7.0195 -7.0195 -7.0137 -7.0137 -6.5084 -6.5084 -5.1765 -5.1765 -5.1765 -5.1765 -4.9039 -4.9039 -4.8628 -4.8628 -4.6032 -4.6032 -4.3835 -4.3835 0.9485 0.9485 1.2492 1.2492 2.2098 2.2098 3.0412 3.0412 5.5723 5.5723 5.7438 5.7438 6.4371 6.4371 6.7035 6.7035 6.8225 6.8225 6.8519 6.8519 7.4905 7.4905 8.3508 8.3508 8.8346 8.8346 8.9950 8.9950 k = 0.0291 0.8317 0.9413 ( 6949 PWs) bands (ev): -20.2230 -20.2230 -20.2224 -20.2224 -19.6835 -19.6835 -7.0195 -7.0195 -7.0137 -7.0137 -6.5084 -6.5084 -5.1773 -5.1773 -5.1757 -5.1757 -4.9038 -4.9038 -4.8630 -4.8630 -4.6031 -4.6031 -4.3835 -4.3835 0.9484 0.9484 1.2489 1.2489 2.2099 2.2099 3.0416 3.0416 5.5725 5.5725 5.7438 5.7438 6.4373 6.4373 6.7022 6.7022 6.8238 6.8238 6.8511 6.8511 7.4915 7.4915 8.3495 8.3495 8.8349 8.8349 9.0000 9.0000 k = 0.0581 0.8372 0.9365 ( 6952 PWs) bands (ev): -20.2233 -20.2233 -20.2221 -20.2221 -19.6835 -19.6835 -7.0194 -7.0194 -7.0138 -7.0138 -6.5083 -6.5083 -5.1780 -5.1780 -5.1749 -5.1749 -4.9036 -4.9036 -4.8635 -4.8635 -4.6028 -4.6028 -4.3835 -4.3835 0.9482 0.9482 1.2479 1.2479 2.2103 2.2103 3.0426 3.0426 5.5731 5.5731 5.7439 5.7439 6.4377 6.4377 6.6986 6.6986 6.8270 6.8270 6.8488 6.8488 7.4945 7.4945 8.3458 8.3458 8.8359 8.8359 9.0150 9.0150 k = 0.0872 0.8428 0.9316 ( 6952 PWs) bands (ev): -20.2235 -20.2235 -20.2219 -20.2219 -19.6835 -19.6835 -7.0192 -7.0192 -7.0139 -7.0139 -6.5083 -6.5083 -5.1786 -5.1786 -5.1740 -5.1740 -4.9031 -4.9031 -4.8644 -4.8644 -4.6024 -4.6024 -4.3834 -4.3834 0.9479 0.9479 1.2464 1.2464 2.2110 2.2110 3.0442 3.0442 5.5739 5.5739 5.7441 5.7441 6.4383 6.4383 6.6937 6.6937 6.8315 6.8315 6.8451 6.8451 7.4992 7.4992 8.3402 8.3402 8.8377 8.8377 9.0398 9.0398 k = 0.1162 0.8484 0.9268 ( 6951 PWs) bands (ev): -20.2238 -20.2238 -20.2216 -20.2216 -19.6835 -19.6835 -7.0189 -7.0189 -7.0140 -7.0140 -6.5083 -6.5083 -5.1792 -5.1792 -5.1732 -5.1732 -4.9026 -4.9026 -4.8656 -4.8656 -4.6018 -4.6018 -4.3834 -4.3834 0.9473 0.9473 1.2443 1.2443 2.2120 2.2120 3.0465 3.0465 5.5746 5.5746 5.7448 5.7448 6.4388 6.4388 6.6886 6.6886 6.8361 6.8361 6.8406 6.8406 7.5054 7.5054 8.3335 8.3335 8.8406 8.8406 9.0740 9.0740 k = 0.1453 0.8539 0.9219 ( 6954 PWs) bands (ev): -20.2241 -20.2241 -20.2213 -20.2213 -19.6835 -19.6835 -7.0188 -7.0188 -7.0140 -7.0140 -6.5082 -6.5082 -5.1798 -5.1798 -5.1723 -5.1723 -4.9019 -4.9019 -4.8670 -4.8670 -4.6012 -4.6012 -4.3833 -4.3833 0.9464 0.9464 1.2417 1.2417 2.2134 2.2134 3.0493 3.0493 5.5747 5.5747 5.7463 5.7463 6.4391 6.4391 6.6844 6.6844 6.8349 6.8349 6.8405 6.8405 7.5125 7.5125 8.3266 8.3266 8.8450 8.8450 9.1170 9.1170 k = 0.1744 0.8595 0.9171 ( 6958 PWs) bands (ev): -20.2244 -20.2244 -20.2211 -20.2211 -19.6835 -19.6835 -7.0187 -7.0187 -7.0138 -7.0138 -6.5081 -6.5081 -5.1803 -5.1803 -5.1714 -5.1714 -4.9012 -4.9012 -4.8686 -4.8686 -4.6004 -4.6004 -4.3832 -4.3832 0.9453 0.9453 1.2387 1.2387 2.2153 2.2153 3.0526 3.0526 5.5737 5.5737 5.7491 5.7491 6.4389 6.4389 6.6819 6.6819 6.8293 6.8293 6.8432 6.8432 7.5200 7.5200 8.3206 8.3206 8.8510 8.8510 9.1683 9.1683 k = 0.2034 0.8650 0.9122 ( 6952 PWs) bands (ev): -20.2247 -20.2247 -20.2208 -20.2208 -19.6836 -19.6836 -7.0188 -7.0188 -7.0135 -7.0135 -6.5080 -6.5080 -5.1807 -5.1807 -5.1705 -5.1705 -4.9005 -4.9005 -4.8701 -4.8701 -4.5997 -4.5997 -4.3832 -4.3832 0.9436 0.9436 1.2354 1.2354 2.2178 2.2178 3.0563 3.0563 5.5708 5.5708 5.7538 5.7538 6.4381 6.4381 6.6818 6.6818 6.8237 6.8237 6.8443 6.8443 7.5275 7.5275 8.3162 8.3162 8.8589 8.8589 9.2271 9.2271 k = 0.2325 0.8706 0.9074 ( 6942 PWs) bands (ev): -20.2251 -20.2251 -20.2206 -20.2206 -19.6836 -19.6836 -7.0191 -7.0191 -7.0129 -7.0129 -6.5079 -6.5079 -5.1811 -5.1811 -5.1696 -5.1696 -4.8999 -4.8999 -4.8714 -4.8714 -4.5989 -4.5989 -4.3831 -4.3831 0.9415 0.9415 1.2319 1.2319 2.2209 2.2209 3.0604 3.0604 5.5655 5.5655 5.7609 5.7609 6.4366 6.4366 6.6844 6.6844 6.8184 6.8184 6.8434 6.8434 7.5345 7.5345 8.3144 8.3144 8.8686 8.8686 9.2921 9.2921 k = 0.2615 0.8761 0.9025 ( 6950 PWs) bands (ev): -20.2254 -20.2254 -20.2203 -20.2203 -19.6836 -19.6836 -7.0196 -7.0196 -7.0121 -7.0121 -6.5078 -6.5078 -5.1814 -5.1814 -5.1688 -5.1688 -4.8996 -4.8996 -4.8724 -4.8724 -4.5982 -4.5982 -4.3831 -4.3831 0.9387 0.9387 1.2283 1.2283 2.2246 2.2246 3.0648 3.0648 5.5572 5.5572 5.7708 5.7708 6.4344 6.4344 6.6899 6.6899 6.8136 6.8136 6.8404 6.8404 7.5406 7.5406 8.3155 8.3155 8.8795 8.8795 9.3495 9.3495 k = 0.2615 0.8761 0.9025 ( 6950 PWs) bands (ev): -20.2254 -20.2254 -20.2203 -20.2203 -19.6836 -19.6836 -7.0196 -7.0196 -7.0121 -7.0121 -6.5078 -6.5078 -5.1814 -5.1814 -5.1688 -5.1688 -4.8996 -4.8996 -4.8724 -4.8724 -4.5982 -4.5982 -4.3831 -4.3831 0.9387 0.9387 1.2283 1.2283 2.2246 2.2246 3.0648 3.0648 5.5572 5.5572 5.7708 5.7708 6.4344 6.4344 6.6899 6.6899 6.8136 6.8136 6.8404 6.8404 7.5406 7.5406 8.3155 8.3155 8.8795 8.8795 9.3495 9.3495 k = 0.2682 0.8565 0.8775 ( 6954 PWs) bands (ev): -20.2271 -20.2271 -20.2191 -20.2191 -19.6839 -19.6839 -7.0224 -7.0224 -7.0073 -7.0073 -6.5068 -6.5068 -5.1828 -5.1828 -5.1639 -5.1639 -4.8993 -4.8993 -4.8755 -4.8755 -4.5944 -4.5944 -4.3830 -4.3830 0.9173 0.9173 1.2056 1.2056 2.2527 2.2527 3.0943 3.0943 5.4960 5.4960 5.8421 5.8421 6.4223 6.4223 6.7271 6.7271 6.7854 6.7854 6.8209 6.8209 7.5759 7.5759 8.3295 8.3295 8.9369 8.9369 9.3077 9.3077 k = 0.2748 0.8368 0.8524 ( 6942 PWs) bands (ev): -20.2288 -20.2288 -20.2181 -20.2181 -19.6842 -19.6842 -7.0247 -7.0247 -7.0021 -7.0021 -6.5053 -6.5053 -5.1835 -5.1835 -5.1584 -5.1584 -4.9011 -4.9011 -4.8765 -4.8765 -4.5898 -4.5898 -4.3831 -4.3831 0.8860 0.8860 1.1762 1.1762 2.2926 2.2926 3.1351 3.1351 5.4277 5.4277 5.9243 5.9243 6.4111 6.4111 6.7463 6.7463 6.7688 6.7688 6.8051 6.8051 7.6218 7.6218 8.3437 8.3437 8.9915 8.9915 9.2487 9.2487 k = 0.2814 0.8172 0.8273 ( 6940 PWs) bands (ev): -20.2307 -20.2307 -20.2171 -20.2171 -19.6847 -19.6847 -7.0267 -7.0267 -6.9964 -6.9964 -6.5034 -6.5034 -5.1835 -5.1835 -5.1524 -5.1524 -4.9047 -4.9047 -4.8756 -4.8756 -4.5845 -4.5845 -4.3835 -4.3835 0.8467 0.8467 1.1408 1.1408 2.3424 2.3424 3.1865 3.1865 5.3598 5.3598 6.0100 6.0100 6.4009 6.4009 6.7045 6.7045 6.7840 6.7840 6.8179 6.8179 7.6759 7.6759 8.3575 8.3575 9.0407 9.0407 9.1948 9.1948 k = 0.2880 0.7975 0.8022 ( 6940 PWs) bands (ev): -20.2327 -20.2327 -20.2162 -20.2162 -19.6852 -19.6852 -7.0283 -7.0283 -6.9904 -6.9904 -6.5010 -6.5010 -5.1828 -5.1828 -5.1459 -5.1459 -4.9093 -4.9093 -4.8734 -4.8734 -4.5786 -4.5786 -4.3840 -4.3840 0.8013 0.8013 1.1004 1.1004 2.4000 2.4000 3.2473 3.2473 5.2947 5.2947 6.0969 6.0969 6.3916 6.3916 6.6574 6.6574 6.7730 6.7730 6.8635 6.8635 7.7364 7.7364 8.3704 8.3704 9.0765 9.0765 9.1548 9.1548 k = 0.2947 0.7779 0.7772 ( 6940 PWs) bands (ev): -20.2347 -20.2347 -20.2155 -20.2155 -19.6859 -19.6859 -7.0296 -7.0296 -6.9840 -6.9840 -6.4982 -6.4982 -5.1813 -5.1813 -5.1391 -5.1391 -4.9142 -4.9142 -4.8706 -4.8706 -4.5719 -4.5719 -4.3847 -4.3847 0.7513 0.7513 1.0560 1.0560 2.4634 2.4634 3.3167 3.3167 5.2334 5.2334 6.1840 6.1840 6.3833 6.3833 6.6072 6.6072 6.7624 6.7624 6.9142 6.9142 7.8019 7.8019 8.3815 8.3815 9.0709 9.0709 9.1567 9.1567 k = 0.3013 0.7582 0.7521 ( 6948 PWs) bands (ev): -20.2369 -20.2369 -20.2149 -20.2149 -19.6866 -19.6866 -7.0306 -7.0306 -6.9772 -6.9772 -6.4950 -6.4950 -5.1790 -5.1790 -5.1321 -5.1321 -4.9189 -4.9189 -4.8675 -4.8675 -4.5647 -4.5647 -4.3857 -4.3857 0.6980 0.6980 1.0086 1.0086 2.5309 2.5309 3.3937 3.3937 5.1768 5.1768 6.2703 6.2703 6.3758 6.3758 6.5552 6.5552 6.7535 6.7535 6.9686 6.9686 7.8713 7.8713 8.3900 8.3900 9.0404 9.0404 9.1848 9.1848 k = 0.3079 0.7385 0.7270 ( 6948 PWs) bands (ev): -20.2390 -20.2390 -20.2144 -20.2144 -19.6875 -19.6875 -7.0312 -7.0312 -6.9702 -6.9702 -6.4915 -6.4915 -5.1759 -5.1759 -5.1251 -5.1251 -4.9231 -4.9231 -4.8642 -4.8642 -4.5568 -4.5568 -4.3868 -4.3868 0.6427 0.6427 0.9589 0.9589 2.6007 2.6007 3.4775 3.4775 5.1255 5.1255 6.3549 6.3549 6.3696 6.3696 6.5022 6.5022 6.7464 6.7464 7.0264 7.0264 7.9438 7.9438 8.3947 8.3947 9.0122 9.0122 9.2128 9.2128 k = 0.3145 0.7189 0.7020 ( 6946 PWs) bands (ev): -20.2413 -20.2413 -20.2140 -20.2140 -19.6884 -19.6884 -7.0316 -7.0316 -6.9629 -6.9629 -6.4877 -6.4877 -5.1721 -5.1721 -5.1182 -5.1182 -4.9264 -4.9264 -4.8608 -4.8608 -4.5483 -4.5483 -4.3881 -4.3881 0.5861 0.5861 0.9076 0.9076 2.6713 2.6713 3.5675 3.5675 5.0804 5.0804 6.3628 6.3628 6.4360 6.4360 6.4513 6.4513 6.7409 6.7409 7.0877 7.0877 8.0188 8.0188 8.3950 8.3950 8.9915 8.9915 9.2372 9.2372 k = 0.3212 0.6992 0.6769 ( 6942 PWs) bands (ev): -20.2436 -20.2436 -20.2137 -20.2137 -19.6894 -19.6894 -7.0317 -7.0317 -6.9554 -6.9554 -6.4836 -6.4836 -5.1675 -5.1675 -5.1118 -5.1118 -4.9287 -4.9287 -4.8575 -4.8575 -4.5393 -4.5393 -4.3896 -4.3896 0.5290 0.5290 0.8553 0.8553 2.7414 2.7414 3.6629 3.6629 5.0423 5.0423 6.3563 6.3563 6.3955 6.3955 6.5192 6.5192 6.7372 6.7372 7.1523 7.1523 8.0959 8.0959 8.3902 8.3902 8.9794 8.9794 9.2580 9.2580 k = 0.3278 0.6796 0.6518 ( 6944 PWs) bands (ev): -20.2459 -20.2459 -20.2135 -20.2135 -19.6905 -19.6905 -7.0316 -7.0316 -6.9477 -6.9477 -6.4793 -6.4793 -5.1621 -5.1621 -5.1060 -5.1060 -4.9297 -4.9297 -4.8542 -4.8542 -4.5297 -4.5297 -4.3913 -4.3913 0.4719 0.4719 0.8025 0.8025 2.8096 2.8096 3.7633 3.7633 5.0120 5.0120 6.3345 6.3345 6.3591 6.3591 6.5946 6.5946 6.7360 6.7360 7.2204 7.2204 8.1746 8.1746 8.3803 8.3803 8.9757 8.9757 9.2765 9.2765 k = 0.3344 0.6599 0.6268 ( 6952 PWs) bands (ev): -20.2483 -20.2483 -20.2133 -20.2133 -19.6916 -19.6916 -7.0313 -7.0313 -6.9399 -6.9399 -6.4748 -6.4748 -5.1561 -5.1561 -5.1010 -5.1010 -4.9291 -4.9291 -4.8511 -4.8511 -4.5196 -4.5196 -4.3932 -4.3932 0.4153 0.4153 0.7497 0.7497 2.8745 2.8745 3.8681 3.8681 4.9905 4.9905 6.2844 6.2844 6.3517 6.3517 6.6613 6.6613 6.7410 6.7410 7.2918 7.2918 8.2546 8.2546 8.3659 8.3659 8.9795 8.9795 9.2939 9.2939 k = 0.3410 0.6403 0.6017 ( 6946 PWs) bands (ev): -20.2507 -20.2507 -20.2133 -20.2133 -19.6927 -19.6927 -7.0308 -7.0308 -6.9320 -6.9320 -6.4701 -6.4701 -5.1496 -5.1496 -5.0970 -5.0970 -4.9267 -4.9267 -4.8481 -4.8481 -4.5090 -4.5090 -4.3951 -4.3951 0.3594 0.3594 0.6972 0.6972 2.9349 2.9349 3.9770 3.9770 4.9788 4.9788 6.2323 6.2323 6.3475 6.3475 6.7017 6.7017 6.7684 6.7684 7.3665 7.3665 8.3352 8.3352 8.3479 8.3479 8.9888 8.9888 9.3115 9.3115 k = 0.3476 0.6206 0.5766 ( 6942 PWs) bands (ev): -20.2531 -20.2531 -20.2134 -20.2134 -19.6940 -19.6940 -7.0302 -7.0302 -6.9240 -6.9240 -6.4654 -6.4654 -5.1425 -5.1425 -5.0940 -5.0940 -4.9224 -4.9224 -4.8452 -4.8452 -4.4979 -4.4979 -4.3973 -4.3973 0.3045 0.3045 0.6453 0.6453 2.9896 2.9896 4.0895 4.0895 4.9777 4.9777 6.1807 6.1807 6.3439 6.3439 6.7122 6.7122 6.8214 6.8214 7.4445 7.4445 8.3267 8.3267 8.4164 8.4164 9.0012 9.0012 9.3302 9.3302 k = 0.3543 0.6009 0.5515 ( 6946 PWs) bands (ev): -20.2555 -20.2555 -20.2135 -20.2135 -19.6952 -19.6952 -7.0295 -7.0295 -6.9160 -6.9160 -6.4605 -6.4605 -5.1352 -5.1352 -5.0919 -5.0919 -4.9163 -4.9163 -4.8425 -4.8425 -4.4863 -4.4863 -4.3995 -4.3995 0.2510 0.2510 0.5943 0.5943 3.0377 3.0377 4.2053 4.2053 4.9879 4.9879 6.1303 6.1303 6.3407 6.3407 6.7147 6.7147 6.8771 6.8771 7.5257 7.5257 8.3034 8.3034 8.4974 8.4974 9.0135 9.0135 9.3511 9.3511 k = 0.3609 0.5813 0.5265 ( 6948 PWs) bands (ev): -20.2579 -20.2579 -20.2137 -20.2137 -19.6965 -19.6965 -7.0287 -7.0287 -6.9081 -6.9081 -6.4557 -6.4557 -5.1281 -5.1281 -5.0902 -5.0902 -4.9084 -4.9084 -4.8400 -4.8400 -4.4744 -4.4744 -4.4018 -4.4018 0.1990 0.1990 0.5444 0.5444 3.0783 3.0783 4.3239 4.3239 5.0101 5.0101 6.0813 6.0813 6.3376 6.3376 6.7156 6.7156 6.9286 6.9286 7.6100 7.6100 8.2783 8.2783 8.5777 8.5777 9.0220 9.0220 9.3748 9.3748 k = 0.3675 0.5616 0.5014 ( 6940 PWs) bands (ev): -20.2602 -20.2602 -20.2139 -20.2139 -19.6978 -19.6978 -7.0278 -7.0278 -6.9003 -6.9003 -6.4508 -6.4508 -5.1217 -5.1217 -5.0882 -5.0882 -4.8991 -4.8991 -4.8377 -4.8377 -4.4622 -4.4622 -4.4042 -4.4042 0.1486 0.1486 0.4958 0.4958 3.1112 3.1112 4.4451 4.4451 5.0444 5.0444 6.0341 6.0341 6.3347 6.3347 6.7160 6.7160 6.9743 6.9743 7.6973 7.6973 8.2514 8.2514 8.6567 8.6567 9.0221 9.0221 9.4018 9.4018 k = 0.3741 0.5420 0.4763 ( 6930 PWs) bands (ev): -20.2625 -20.2625 -20.2142 -20.2142 -19.6991 -19.6991 -7.0269 -7.0269 -6.8926 -6.8926 -6.4460 -6.4460 -5.1172 -5.1172 -5.0848 -5.0848 -4.8887 -4.8887 -4.8354 -4.8354 -4.4499 -4.4499 -4.4064 -4.4064 0.1000 0.1000 0.4487 0.4487 3.1363 3.1363 4.5682 4.5682 5.0906 5.0906 5.9890 5.9890 6.3318 6.3318 6.7162 6.7162 7.0136 7.0136 7.7875 7.7875 8.2226 8.2226 8.7335 8.7335 9.0090 9.0090 9.4327 9.4327 k = 0.3808 0.5223 0.4513 ( 6940 PWs) bands (ev): -20.2648 -20.2648 -20.2145 -20.2145 -19.7004 -19.7004 -7.0260 -7.0260 -6.8851 -6.8851 -6.4413 -6.4413 -5.1152 -5.1152 -5.0790 -5.0790 -4.8775 -4.8775 -4.8331 -4.8331 -4.4379 -4.4379 -4.4083 -4.4083 0.0532 0.0532 0.4033 0.4033 3.1538 3.1538 4.6928 4.6928 5.1483 5.1483 5.9466 5.9466 6.3288 6.3288 6.7163 6.7163 7.0464 7.0464 7.8806 7.8806 8.1916 8.1916 8.8071 8.8071 8.9789 8.9789 9.4677 9.4678 k = 0.3874 0.5027 0.4262 ( 6936 PWs) bands (ev): -20.2671 -20.2671 -20.2149 -20.2149 -19.7017 -19.7017 -7.0251 -7.0251 -6.8777 -6.8777 -6.4367 -6.4367 -5.1156 -5.1156 -5.0710 -5.0710 -4.8662 -4.8662 -4.8303 -4.8303 -4.4275 -4.4275 -4.4085 -4.4085 0.0085 0.0085 0.3595 0.3595 3.1645 3.1645 4.8180 4.8180 5.2167 5.2167 5.9075 5.9075 6.3259 6.3259 6.7162 6.7162 7.0729 7.0729 7.9762 7.9762 8.1583 8.1583 8.8762 8.8762 8.9313 8.9313 9.5072 9.5072 k = 0.3940 0.4830 0.4011 ( 6940 PWs) bands (ev): -20.2692 -20.2692 -20.2153 -20.2153 -19.7030 -19.7030 -7.0242 -7.0242 -6.8707 -6.8707 -6.4323 -6.4323 -5.1174 -5.1174 -5.0615 -5.0615 -4.8558 -4.8558 -4.8263 -4.8263 -4.4224 -4.4224 -4.4033 -4.4033 -0.0341 -0.0341 0.3177 0.3177 3.1691 3.1691 4.9425 4.9425 5.2948 5.2948 5.8730 5.8730 6.3229 6.3229 6.7160 6.7160 7.0935 7.0935 8.0735 8.0735 8.1231 8.1231 8.8682 8.8682 8.9395 8.9395 9.5511 9.5511 k = 0.4006 0.4633 0.3761 ( 6942 PWs) bands (ev): -20.2713 -20.2713 -20.2158 -20.2158 -19.7042 -19.7042 -7.0233 -7.0233 -6.8639 -6.8639 -6.4280 -6.4280 -5.1201 -5.1201 -5.0512 -5.0512 -4.8479 -4.8479 -4.8197 -4.8197 -4.4228 -4.4228 -4.3927 -4.3927 -0.0746 -0.0746 0.2779 0.2779 3.1687 3.1687 5.0644 5.0644 5.3815 5.3815 5.8449 5.8449 6.3198 6.3198 6.7157 6.7157 7.1087 7.1087 8.0822 8.0822 8.1759 8.1759 8.7942 8.7942 8.9950 8.9950 9.5996 9.5996 k = 0.4073 0.4437 0.3510 ( 6944 PWs) bands (ev): -20.2734 -20.2734 -20.2162 -20.2162 -19.7055 -19.7055 -7.0224 -7.0224 -6.8574 -6.8574 -6.4240 -6.4240 -5.1233 -5.1233 -5.0404 -5.0404 -4.8434 -4.8434 -4.8099 -4.8099 -4.4249 -4.4249 -4.3806 -4.3806 -0.1128 -0.1128 0.2401 0.2401 3.1641 3.1641 5.1802 5.1802 5.4756 5.4756 5.8264 5.8264 6.3167 6.3167 6.7153 6.7153 7.1193 7.1193 8.0413 8.0413 8.2779 8.2779 8.7130 8.7130 9.0410 9.0410 9.6523 9.6523 k = 0.4139 0.4240 0.3259 ( 6924 PWs) bands (ev): -20.2753 -20.2753 -20.2166 -20.2166 -19.7066 -19.7066 -7.0216 -7.0216 -6.8512 -6.8512 -6.4201 -6.4201 -5.1267 -5.1267 -5.0293 -5.0293 -4.8413 -4.8413 -4.7979 -4.7979 -4.4276 -4.4276 -4.3681 -4.3681 -0.1487 -0.1487 0.2046 0.2046 3.1563 3.1563 5.2839 5.2839 5.5760 5.5760 5.8234 5.8234 6.3136 6.3136 6.7147 6.7147 7.1258 7.1258 7.9979 7.9979 8.3818 8.3818 8.6279 8.6279 9.0759 9.0759 9.7066 9.7066 k = 0.4205 0.4044 0.3008 ( 6922 PWs) bands (ev): -20.2771 -20.2771 -20.2171 -20.2171 -19.7078 -19.7078 -7.0209 -7.0209 -6.8454 -6.8454 -6.4165 -6.4165 -5.1302 -5.1302 -5.0181 -5.0181 -4.8406 -4.8406 -4.7850 -4.7850 -4.4305 -4.4305 -4.3558 -4.3558 -0.1822 -0.1822 0.1713 0.1713 3.1461 3.1461 5.3662 5.3662 5.6815 5.6815 5.8449 5.8449 6.3105 6.3105 6.7139 6.7139 7.1290 7.1290 7.9529 7.9529 8.4854 8.4854 8.5424 8.5424 9.0982 9.0982 9.6989 9.6989 k = 0.4271 0.3847 0.2758 ( 6928 PWs) bands (ev): -20.2788 -20.2788 -20.2175 -20.2175 -19.7088 -19.7088 -7.0202 -7.0202 -6.8400 -6.8400 -6.4132 -6.4132 -5.1336 -5.1336 -5.0070 -5.0070 -4.8408 -4.8408 -4.7718 -4.7718 -4.4335 -4.4335 -4.3439 -4.3439 -0.2133 -0.2133 0.1404 0.1404 3.1344 3.1344 5.4189 5.4189 5.7912 5.7912 5.8987 5.8987 6.3075 6.3075 6.7131 6.7131 7.1295 7.1295 7.9067 7.9067 8.4518 8.4518 8.5946 8.5946 9.1073 9.1073 9.6125 9.6125 k = 0.4338 0.3651 0.2507 ( 6934 PWs) bands (ev): -20.2804 -20.2804 -20.2179 -20.2179 -19.7098 -19.7098 -7.0195 -7.0195 -6.8350 -6.8350 -6.4101 -6.4101 -5.1369 -5.1369 -4.9961 -4.9961 -4.8416 -4.8416 -4.7588 -4.7588 -4.4366 -4.4366 -4.3324 -4.3324 -0.2419 -0.2419 0.1119 0.1119 3.1218 3.1218 5.4432 5.4432 5.9038 5.9038 5.9835 5.9835 6.3047 6.3047 6.7122 6.7122 7.1278 7.1278 7.8599 7.8599 8.3658 8.3658 8.7003 8.7003 9.1034 9.1034 9.5186 9.5186 k = 0.4404 0.3454 0.2256 ( 6938 PWs) bands (ev): -20.2818 -20.2818 -20.2183 -20.2183 -19.7108 -19.7108 -7.0189 -7.0189 -6.8305 -6.8305 -6.4073 -6.4073 -5.1400 -5.1400 -4.9854 -4.9854 -4.8429 -4.8429 -4.7463 -4.7463 -4.4396 -4.4396 -4.3216 -4.3216 -0.2679 -0.2679 0.0858 0.0858 3.1088 3.1088 5.4482 5.4482 6.0180 6.0180 6.0893 6.0893 6.3022 6.3022 6.7112 6.7112 7.1244 7.1244 7.8127 7.8127 8.2814 8.2814 8.8055 8.8055 9.0865 9.0865 9.4223 9.4223 k = 0.4470 0.3257 0.2006 ( 6942 PWs) bands (ev): -20.2832 -20.2832 -20.2187 -20.2187 -19.7116 -19.7116 -7.0184 -7.0184 -6.8263 -6.8263 -6.4047 -6.4047 -5.1429 -5.1429 -4.9751 -4.9751 -4.8446 -4.8446 -4.7344 -4.7344 -4.4426 -4.4426 -4.3116 -4.3116 -0.2913 -0.2913 0.0624 0.0624 3.0961 3.0961 5.4430 5.4430 6.1330 6.1330 6.2055 6.2055 6.3010 6.3010 6.7102 6.7102 7.1196 7.1196 7.7653 7.7653 8.2002 8.2002 8.9086 8.9086 9.0554 9.0554 9.3286 9.3286 k = 0.4536 0.3061 0.1755 ( 6938 PWs) bands (ev): -20.2844 -20.2844 -20.2191 -20.2191 -19.7124 -19.7124 -7.0180 -7.0180 -6.8227 -6.8227 -6.4025 -6.4025 -5.1455 -5.1455 -4.9654 -4.9654 -4.8466 -4.8466 -4.7234 -4.7234 -4.4454 -4.4454 -4.3025 -4.3025 -0.3121 -0.3121 0.0415 0.0415 3.0840 3.0840 5.4331 5.4331 6.2472 6.2472 6.2909 6.2909 6.3358 6.3358 6.7092 6.7092 7.1135 7.1135 7.7174 7.7174 8.1233 8.1233 8.9968 8.9968 9.0175 9.0175 9.2460 9.2460 k = 0.4603 0.2864 0.1504 ( 6944 PWs) bands (ev): -20.2854 -20.2854 -20.2194 -20.2194 -19.7130 -19.7130 -7.0176 -7.0176 -6.8195 -6.8195 -6.4005 -6.4005 -5.1478 -5.1478 -4.9563 -4.9563 -4.8489 -4.8489 -4.7135 -4.7135 -4.4480 -4.4480 -4.2943 -4.2943 -0.3302 -0.3302 0.0233 0.0233 3.0728 3.0728 5.4216 5.4216 6.2910 6.2910 6.3630 6.3630 6.4531 6.4531 6.7083 6.7083 7.1062 7.1062 7.6687 7.6687 8.0525 8.0525 8.9326 8.9326 9.1053 9.1053 9.1828 9.1828 k = 0.4669 0.2668 0.1254 ( 6946 PWs) bands (ev): -20.2863 -20.2863 -20.2196 -20.2196 -19.7136 -19.7136 -7.0173 -7.0173 -6.8167 -6.8167 -6.3989 -6.3989 -5.1498 -5.1498 -4.9480 -4.9480 -4.8513 -4.8513 -4.7047 -4.7047 -4.4505 -4.4505 -4.2873 -4.2873 -0.3456 -0.3456 0.0079 0.0079 3.0628 3.0628 5.4104 5.4104 6.2901 6.2901 6.4739 6.4739 6.5696 6.5696 6.7075 6.7075 7.0973 7.0973 7.6188 7.6188 7.9896 7.9896 8.8452 8.8452 9.1388 9.1388 9.1928 9.1928 k = 0.4735 0.2471 0.1003 ( 6942 PWs) bands (ev): -20.2870 -20.2870 -20.2199 -20.2199 -19.7141 -19.7141 -7.0170 -7.0170 -6.8145 -6.8145 -6.3975 -6.3975 -5.1514 -5.1514 -4.9406 -4.9406 -4.8538 -4.8538 -4.6972 -4.6972 -4.4526 -4.4526 -4.2814 -4.2814 -0.3582 -0.3582 -0.0048 -0.0048 3.0544 3.0544 5.4002 5.4002 6.2887 6.2887 6.5811 6.5811 6.6777 6.6777 6.7068 6.7068 7.0861 7.0861 7.5679 7.5679 7.9366 7.9366 8.7531 8.7531 9.1084 9.1084 9.2706 9.2706 k = 0.4801 0.2275 0.0752 ( 6952 PWs) bands (ev): -20.2876 -20.2876 -20.2200 -20.2200 -19.7144 -19.7144 -7.0168 -7.0168 -6.8127 -6.8127 -6.3964 -6.3964 -5.1527 -5.1527 -4.9344 -4.9344 -4.8561 -4.8561 -4.6913 -4.6913 -4.4543 -4.4543 -4.2767 -4.2767 -0.3681 -0.3681 -0.0148 -0.0148 3.0477 3.0477 5.3919 5.3919 6.2875 6.2875 6.6818 6.6818 6.7062 6.7062 6.7723 6.7723 7.0710 7.0710 7.5181 7.5181 7.8949 7.8949 8.6674 8.6674 9.0871 9.0871 9.3356 9.3356 k = 0.4868 0.2078 0.0501 ( 6964 PWs) bands (ev): -20.2880 -20.2880 -20.2202 -20.2202 -19.7147 -19.7147 -7.0167 -7.0167 -6.8115 -6.8115 -6.3957 -6.3957 -5.1537 -5.1537 -4.9297 -4.9297 -4.8581 -4.8581 -4.6869 -4.6869 -4.4556 -4.4556 -4.2734 -4.2734 -0.3751 -0.3751 -0.0219 -0.0219 3.0428 3.0428 5.3858 5.3858 6.2866 6.2866 6.7056 6.7056 6.7728 6.7728 6.8470 6.8470 7.0503 7.0503 7.4740 7.4740 7.8652 7.8652 8.5974 8.5974 9.0727 9.0727 9.3847 9.3847 k = 0.4934 0.1881 0.0251 ( 6960 PWs) bands (ev): -20.2883 -20.2883 -20.2202 -20.2202 -19.7149 -19.7149 -7.0166 -7.0166 -6.8107 -6.8107 -6.3952 -6.3952 -5.1542 -5.1542 -4.9267 -4.9267 -4.8594 -4.8594 -4.6843 -4.6843 -4.4564 -4.4564 -4.2713 -4.2713 -0.3794 -0.3794 -0.0261 -0.0261 3.0398 3.0398 5.3820 5.3820 6.2860 6.2860 6.7054 6.7054 6.8460 6.8460 6.8954 6.8954 7.0241 7.0241 7.4426 7.4426 7.8475 7.8475 8.5511 8.5511 9.0643 9.0643 9.4154 9.4154 k = 0.5000 0.1685-0.0000 ( 6966 PWs) bands (ev): -20.2883 -20.2883 -20.2203 -20.2203 -19.7149 -19.7149 -7.0166 -7.0166 -6.8105 -6.8105 -6.3951 -6.3951 -5.1544 -5.1544 -4.9256 -4.9256 -4.8599 -4.8599 -4.6834 -4.6834 -4.4567 -4.4567 -4.2706 -4.2706 -0.3808 -0.3808 -0.0276 -0.0276 3.0388 3.0388 5.3807 5.3807 6.2858 6.2858 6.7053 6.7053 6.8795 6.8795 6.9121 6.9121 7.0074 7.0074 7.4311 7.4311 7.8417 7.8417 8.5350 8.5350 9.0615 9.0615 9.4258 9.4258 k = 0.5000 0.1685-0.0000 ( 6966 PWs) bands (ev): -20.2883 -20.2883 -20.2203 -20.2203 -19.7149 -19.7149 -7.0166 -7.0166 -6.8105 -6.8105 -6.3951 -6.3951 -5.1544 -5.1544 -4.9256 -4.9256 -4.8599 -4.8599 -4.6834 -4.6834 -4.4567 -4.4567 -4.2706 -4.2706 -0.3808 -0.3808 -0.0276 -0.0276 3.0388 3.0388 5.3807 5.3807 6.2858 6.2858 6.7053 6.7053 6.8795 6.8795 6.9121 6.9121 7.0074 7.0074 7.4311 7.4311 7.8417 7.8417 8.5350 8.5350 9.0615 9.0615 9.4258 9.4258 k = 0.4706 0.1586-0.0000 ( 6977 PWs) bands (ev): -20.2883 -20.2883 -20.2203 -20.2203 -19.7149 -19.7149 -7.0165 -7.0165 -6.8106 -6.8106 -6.3950 -6.3950 -5.1543 -5.1543 -4.9256 -4.9256 -4.8602 -4.8602 -4.6836 -4.6836 -4.4563 -4.4563 -4.2705 -4.2705 -0.3833 -0.3833 -0.0249 -0.0249 3.0386 3.0386 5.3798 5.3798 6.2864 6.2864 6.7046 6.7046 6.8766 6.8766 6.9151 6.9151 7.0060 7.0060 7.4312 7.4312 7.8413 7.8413 8.5383 8.5383 9.0635 9.0635 9.4264 9.4264 k = 0.4412 0.1487-0.0000 ( 6957 PWs) bands (ev): -20.2884 -20.2884 -20.2202 -20.2202 -19.7149 -19.7149 -7.0162 -7.0162 -6.8111 -6.8111 -6.3948 -6.3948 -5.1539 -5.1539 -4.9257 -4.9257 -4.8610 -4.8610 -4.6843 -4.6843 -4.4551 -4.4551 -4.2702 -4.2702 -0.3904 -0.3904 -0.0171 -0.0171 3.0381 3.0381 5.3774 5.3774 6.2881 6.2881 6.7025 6.7025 6.8700 6.8700 6.9222 6.9222 7.0018 7.0018 7.4316 7.4316 7.8409 7.8409 8.5470 8.5470 9.0704 9.0704 9.4280 9.4280 k = 0.4118 0.1388-0.0000 ( 6945 PWs) bands (ev): -20.2884 -20.2884 -20.2202 -20.2202 -19.7149 -19.7149 -7.0157 -7.0157 -6.8119 -6.8119 -6.3945 -6.3945 -5.1534 -5.1534 -4.9258 -4.9258 -4.8624 -4.8624 -4.6854 -4.6854 -4.4533 -4.4533 -4.2696 -4.2696 -0.4015 -0.4015 -0.0051 -0.0051 3.0372 3.0372 5.3734 5.3734 6.2908 6.2908 6.6991 6.6991 6.8621 6.8621 6.9309 6.9309 6.9941 6.9941 7.4324 7.4324 7.8427 7.8427 8.5567 8.5567 9.0851 9.0851 9.4307 9.4307 k = 0.3824 0.1288-0.0000 ( 6941 PWs) bands (ev): -20.2884 -20.2884 -20.2201 -20.2201 -19.7150 -19.7150 -7.0151 -7.0151 -6.8129 -6.8129 -6.3941 -6.3941 -5.1526 -5.1526 -4.9259 -4.9259 -4.8644 -4.8644 -4.6868 -4.6868 -4.4508 -4.4508 -4.2688 -4.2688 -0.4154 -0.4154 0.0102 0.0102 3.0360 3.0360 5.3683 5.3683 6.2946 6.2946 6.6945 6.6945 6.8538 6.8538 6.9403 6.9403 6.9823 6.9823 7.4341 7.4341 7.8490 7.8490 8.5625 8.5625 9.1108 9.1108 9.4345 9.4345 k = 0.3529 0.1189-0.0000 ( 6949 PWs) bands (ev): -20.2885 -20.2885 -20.2201 -20.2201 -19.7150 -19.7150 -7.0143 -7.0143 -6.8142 -6.8142 -6.3936 -6.3936 -5.1516 -5.1516 -4.9259 -4.9259 -4.8668 -4.8668 -4.6884 -4.6884 -4.4479 -4.4479 -4.2679 -4.2679 -0.4313 -0.4313 0.0278 0.0278 3.0345 3.0345 5.3623 5.3623 6.2994 6.2994 6.6887 6.6887 6.8456 6.8456 6.9497 6.9497 6.9657 6.9657 7.4372 7.4372 7.8614 7.8614 8.5601 8.5601 9.1502 9.1502 9.4395 9.4395 k = 0.3235 0.1090-0.0000 ( 6941 PWs) bands (ev): -20.2886 -20.2886 -20.2200 -20.2200 -19.7150 -19.7150 -7.0133 -7.0133 -6.8157 -6.8157 -6.3930 -6.3930 -5.1505 -5.1505 -4.9260 -4.9260 -4.8697 -4.8697 -4.6901 -4.6901 -4.4447 -4.4447 -4.2667 -4.2667 -0.4483 -0.4483 0.0466 0.0466 3.0327 3.0327 5.3559 5.3559 6.3050 6.3050 6.6819 6.6819 6.8378 6.8378 6.9441 6.9441 6.9591 6.9591 7.4425 7.4425 7.8806 7.8806 8.5479 8.5479 9.2037 9.2037 9.4457 9.4457 k = 0.2941 0.0991-0.0000 ( 6933 PWs) bands (ev): -20.2886 -20.2886 -20.2199 -20.2199 -19.7150 -19.7150 -7.0123 -7.0123 -6.8173 -6.8173 -6.3924 -6.3924 -5.1492 -5.1492 -4.9259 -4.9259 -4.8730 -4.8730 -4.6919 -4.6919 -4.4413 -4.4413 -4.2654 -4.2654 -0.4655 -0.4655 0.0660 0.0660 3.0307 3.0307 5.3494 5.3494 6.3114 6.3114 6.6742 6.6742 6.8304 6.8304 6.9182 6.9182 6.9681 6.9681 7.4506 7.4506 7.9063 7.9063 8.5266 8.5266 9.2697 9.2697 9.4532 9.4532 k = 0.2647 0.0892-0.0000 ( 6941 PWs) bands (ev): -20.2887 -20.2887 -20.2198 -20.2198 -19.7150 -19.7150 -7.0112 -7.0112 -6.8190 -6.8190 -6.3918 -6.3918 -5.1479 -5.1479 -4.9258 -4.9258 -4.8766 -4.8766 -4.6936 -4.6936 -4.4379 -4.4379 -4.2641 -4.2641 -0.4825 -0.4825 0.0852 0.0852 3.0285 3.0285 5.3430 5.3430 6.3184 6.3184 6.6659 6.6659 6.8235 6.8235 6.8890 6.8890 6.9767 6.9767 7.4615 7.4615 7.9371 7.9371 8.4986 8.4986 9.3455 9.3455 9.4618 9.4618 k = 0.2353 0.0793-0.0000 ( 6959 PWs) bands (ev): -20.2888 -20.2888 -20.2197 -20.2197 -19.7150 -19.7150 -7.0100 -7.0100 -6.8208 -6.8208 -6.3911 -6.3911 -5.1465 -5.1465 -4.9255 -4.9255 -4.8805 -4.8805 -4.6951 -4.6951 -4.4346 -4.4346 -4.2626 -4.2626 -0.4987 -0.4987 0.1037 0.1037 3.0262 3.0262 5.3372 5.3372 6.3258 6.3258 6.6572 6.6572 6.8171 6.8171 6.8579 6.8579 6.9848 6.9848 7.4752 7.4752 7.9715 7.9715 8.4665 8.4665 9.4279 9.4279 9.4718 9.4718 k = 0.2059 0.0694-0.0000 ( 6955 PWs) bands (ev): -20.2889 -20.2889 -20.2196 -20.2196 -19.7150 -19.7150 -7.0089 -7.0089 -6.8226 -6.8226 -6.3904 -6.3904 -5.1451 -5.1451 -4.9251 -4.9251 -4.8846 -4.8846 -4.6966 -4.6966 -4.4314 -4.4314 -4.2612 -4.2612 -0.5137 -0.5137 0.1210 0.1210 3.0239 3.0239 5.3320 5.3320 6.3335 6.3335 6.6483 6.6483 6.8110 6.8110 6.8267 6.8267 6.9922 6.9922 7.4911 7.4911 8.0071 8.0071 8.4329 8.4329 9.4821 9.4821 9.5148 9.5148 k = 0.1765 0.0595-0.0000 ( 6957 PWs) bands (ev): -20.2889 -20.2889 -20.2196 -20.2196 -19.7150 -19.7150 -7.0077 -7.0077 -6.8243 -6.8243 -6.3898 -6.3898 -5.1437 -5.1437 -4.9244 -4.9244 -4.8887 -4.8887 -4.6978 -4.6978 -4.4285 -4.4285 -4.2598 -4.2598 -0.5273 -0.5273 0.1368 0.1368 3.0216 3.0216 5.3276 5.3276 6.3411 6.3411 6.6396 6.6396 6.7942 6.7942 6.8079 6.8079 6.9988 6.9988 7.5083 7.5083 8.0415 8.0415 8.4006 8.4006 9.4941 9.4941 9.6016 9.6016 k = 0.1471 0.0496-0.0000 ( 6961 PWs) bands (ev): -20.2890 -20.2890 -20.2195 -20.2195 -19.7151 -19.7151 -7.0067 -7.0067 -6.8258 -6.8258 -6.3893 -6.3893 -5.1425 -5.1425 -4.9235 -4.9235 -4.8928 -4.8928 -4.6989 -4.6989 -4.4260 -4.4260 -4.2585 -4.2585 -0.5392 -0.5392 0.1507 0.1507 3.0195 3.0195 5.3241 5.3241 6.3485 6.3485 6.6314 6.6314 6.7664 6.7664 6.8030 6.8030 7.0045 7.0045 7.5261 7.5261 8.0720 8.0720 8.3721 8.3721 9.5063 9.5063 9.6862 9.6862 k = 0.1176 0.0396-0.0000 ( 6961 PWs) bands (ev): -20.2891 -20.2891 -20.2194 -20.2194 -19.7151 -19.7151 -7.0058 -7.0058 -6.8272 -6.8272 -6.3888 -6.3888 -5.1414 -5.1414 -4.9224 -4.9224 -4.8967 -4.8967 -4.6998 -4.6998 -4.4238 -4.4238 -4.2574 -4.2574 -0.5492 -0.5492 0.1624 0.1624 3.0176 3.0176 5.3213 5.3213 6.3551 6.3551 6.6241 6.6241 6.7415 6.7415 6.7994 6.7994 7.0094 7.0094 7.5433 7.5433 8.0959 8.0959 8.3499 8.3499 9.5185 9.5185 9.7644 9.7644 k = 0.0882 0.0297-0.0000 ( 6969 PWs) bands (ev): -20.2891 -20.2891 -20.2194 -20.2194 -19.7151 -19.7151 -7.0051 -7.0051 -6.8283 -6.8283 -6.3884 -6.3884 -5.1404 -5.1404 -4.9210 -4.9210 -4.9004 -4.9004 -4.7004 -4.7004 -4.4221 -4.4221 -4.2564 -4.2564 -0.5571 -0.5571 0.1717 0.1717 3.0160 3.0160 5.3193 5.3193 6.3608 6.3608 6.6182 6.6182 6.7208 6.7208 6.7966 6.7966 7.0132 7.0132 7.5587 7.5587 8.1115 8.1115 8.3357 8.3357 9.5299 9.5299 9.8289 9.8289 k = 0.0588 0.0198-0.0000 ( 6973 PWs) bands (ev): -20.2892 -20.2892 -20.2193 -20.2193 -19.7151 -19.7151 -7.0045 -7.0045 -6.8292 -6.8292 -6.3881 -6.3881 -5.1398 -5.1398 -4.9196 -4.9196 -4.9035 -4.9035 -4.7009 -4.7009 -4.4209 -4.4209 -4.2557 -4.2557 -0.5628 -0.5628 0.1785 0.1785 3.0149 3.0149 5.3179 5.3179 6.3652 6.3652 6.6138 6.6138 6.7054 6.7054 6.7946 6.7946 7.0160 7.0160 7.5710 7.5710 8.1191 8.1191 8.3288 8.3288 9.5394 9.5394 9.8613 9.8613 k = 0.0294 0.0099-0.0000 ( 6983 PWs) bands (ev): -20.2892 -20.2892 -20.2193 -20.2193 -19.7151 -19.7151 -7.0042 -7.0042 -6.8297 -6.8297 -6.3879 -6.3879 -5.1393 -5.1393 -4.9183 -4.9183 -4.9059 -4.9059 -4.7012 -4.7012 -4.4201 -4.4201 -4.2553 -4.2553 -0.5663 -0.5663 0.1826 0.1826 3.0141 3.0141 5.3172 5.3172 6.3679 6.3679 6.6112 6.6112 6.6957 6.6957 6.7934 6.7934 7.0176 7.0176 7.5789 7.5789 8.1216 8.1216 8.3267 8.3267 9.5458 9.5458 9.8614 9.8615 k = 0.0000 0.0000 0.0000 ( 6989 PWs) bands (ev): -20.2892 -20.2892 -20.2193 -20.2193 -19.7151 -19.7151 -7.0040 -7.0040 -6.8298 -6.8298 -6.3879 -6.3879 -5.1392 -5.1392 -4.9177 -4.9177 -4.9068 -4.9068 -4.7013 -4.7013 -4.4199 -4.4199 -4.2551 -4.2551 -0.5675 -0.5675 0.1840 0.1840 3.0139 3.0139 5.3169 5.3169 6.3688 6.3688 6.6103 6.6103 6.6925 6.6925 6.7930 6.7930 7.0182 7.0182 7.5817 7.5817 8.1220 8.1220 8.3264 8.3264 9.5481 9.5481 9.8591 9.8591 k = 0.0000 0.0000 0.0000 ( 6989 PWs) bands (ev): -20.2892 -20.2892 -20.2193 -20.2193 -19.7151 -19.7151 -7.0040 -7.0040 -6.8298 -6.8298 -6.3879 -6.3879 -5.1392 -5.1392 -4.9177 -4.9177 -4.9068 -4.9068 -4.7013 -4.7013 -4.4199 -4.4199 -4.2551 -4.2551 -0.5675 -0.5675 0.1840 0.1840 3.0139 3.0139 5.3169 5.3169 6.3688 6.3688 6.6103 6.6103 6.6925 6.6925 6.7930 6.7930 7.0182 7.0182 7.5817 7.5817 8.1220 8.1220 8.3264 8.3264 9.5481 9.5481 9.8591 9.8591 k = 0.0081-0.0240 0.0210 ( 6987 PWs) bands (ev): -20.2891 -20.2891 -20.2193 -20.2193 -19.7151 -19.7151 -7.0040 -7.0040 -6.8301 -6.8301 -6.3880 -6.3880 -5.1393 -5.1393 -4.9210 -4.9210 -4.9035 -4.9035 -4.7016 -4.7016 -4.4202 -4.4202 -4.2552 -4.2552 -0.5657 -0.5657 0.1841 0.1841 3.0157 3.0157 5.3167 5.3167 6.3699 6.3699 6.5672 6.5672 6.7320 6.7320 6.7917 6.7917 7.0179 7.0179 7.5825 7.5825 8.1215 8.1215 8.3313 8.3313 9.5341 9.5341 9.8440 9.8440 k = 0.0162-0.0480 0.0419 ( 6977 PWs) bands (ev): -20.2890 -20.2890 -20.2194 -20.2194 -19.7150 -19.7150 -7.0040 -7.0040 -6.8307 -6.8307 -6.3883 -6.3883 -5.1396 -5.1396 -4.9270 -4.9270 -4.8975 -4.8975 -4.7027 -4.7027 -4.4212 -4.4212 -4.2553 -4.2553 -0.5602 -0.5602 0.1845 0.1845 3.0211 3.0211 5.3160 5.3160 6.3729 6.3729 6.4961 6.4961 6.7871 6.7871 6.7929 6.7929 7.0172 7.0172 7.5849 7.5849 8.1195 8.1195 8.3462 8.3462 9.4977 9.4977 9.7977 9.7977 k = 0.0243-0.0720 0.0629 ( 6953 PWs) bands (ev): -20.2887 -20.2887 -20.2196 -20.2196 -19.7150 -19.7150 -7.0039 -7.0039 -6.8317 -6.8317 -6.3890 -6.3890 -5.1400 -5.1400 -4.9334 -4.9334 -4.8910 -4.8910 -4.7044 -4.7044 -4.4229 -4.4229 -4.2556 -4.2556 -0.5511 -0.5511 0.1850 0.1850 3.0301 3.0301 5.3150 5.3150 6.3763 6.3763 6.4206 6.4206 6.7806 6.7806 6.8523 6.8523 7.0159 7.0159 7.5888 7.5888 8.1149 8.1149 8.3715 8.3715 9.4486 9.4486 9.7298 9.7298 k = 0.0323-0.0960 0.0838 ( 6953 PWs) bands (ev): -20.2883 -20.2883 -20.2199 -20.2199 -19.7149 -19.7149 -7.0039 -7.0039 -6.8332 -6.8332 -6.3898 -6.3898 -5.1407 -5.1407 -4.9399 -4.9399 -4.8845 -4.8845 -4.7068 -4.7068 -4.4253 -4.4253 -4.2559 -4.2559 -0.5386 -0.5386 0.1858 0.1858 3.0425 3.0425 5.3138 5.3138 6.3345 6.3345 6.3887 6.3887 6.7712 6.7712 6.9088 6.9088 7.0142 7.0142 7.5943 7.5943 8.1065 8.1065 8.4075 8.4075 9.3943 9.3943 9.6519 9.6519 k = 0.0404-0.1200 0.1048 ( 6949 PWs) bands (ev): -20.2879 -20.2879 -20.2202 -20.2202 -19.7148 -19.7148 -7.0037 -7.0037 -6.8351 -6.8351 -6.3909 -6.3909 -5.1415 -5.1415 -4.9464 -4.9464 -4.8780 -4.8780 -4.7098 -4.7098 -4.4283 -4.4283 -4.2562 -4.2562 -0.5227 -0.5227 0.1867 0.1867 3.0584 3.0584 5.3127 5.3127 6.2534 6.2534 6.3950 6.3950 6.7593 6.7593 6.9610 6.9610 7.0129 7.0129 7.6014 7.6014 8.0931 8.0931 8.4538 8.4538 9.3390 9.3390 9.5712 9.5712 k = 0.0485-0.1440 0.1257 ( 6955 PWs) bands (ev): -20.2873 -20.2873 -20.2206 -20.2206 -19.7147 -19.7147 -7.0036 -7.0036 -6.8374 -6.8374 -6.3921 -6.3921 -5.1424 -5.1424 -4.9527 -4.9527 -4.8716 -4.8716 -4.7133 -4.7133 -4.4318 -4.4318 -4.2566 -4.2566 -0.5036 -0.5036 0.1879 0.1879 3.0776 3.0776 5.3120 5.3120 6.1699 6.1699 6.4028 6.4028 6.7453 6.7453 6.9986 6.9986 7.0222 7.0222 7.6101 7.6101 8.0741 8.0741 8.5095 8.5095 9.2855 9.2855 9.4923 9.4923 k = 0.0566-0.1680 0.1467 ( 6947 PWs) bands (ev): -20.2866 -20.2866 -20.2210 -20.2210 -19.7146 -19.7146 -7.0034 -7.0034 -6.8401 -6.8401 -6.3936 -6.3936 -5.1435 -5.1435 -4.9590 -4.9590 -4.8654 -4.8654 -4.7173 -4.7173 -4.4359 -4.4359 -4.2571 -4.2571 -0.4814 -0.4814 0.1892 0.1892 3.1001 3.1001 5.3119 5.3119 6.0857 6.0857 6.4103 6.4103 6.7294 6.7294 7.0009 7.0009 7.0632 7.0632 7.6204 7.6204 8.0486 8.0486 8.5736 8.5736 9.2356 9.2356 9.4180 9.4180 k = 0.0647-0.1920 0.1676 ( 6947 PWs) bands (ev): -20.2858 -20.2858 -20.2216 -20.2216 -19.7145 -19.7145 -7.0031 -7.0031 -6.8431 -6.8431 -6.3953 -6.3953 -5.1447 -5.1447 -4.9652 -4.9652 -4.8594 -4.8594 -4.7217 -4.7217 -4.4405 -4.4405 -4.2575 -4.2575 -0.4565 -0.4565 0.1906 0.1906 3.1256 3.1256 5.3128 5.3128 6.0014 6.0014 6.4165 6.4165 6.7117 6.7117 6.9972 6.9972 7.1070 7.1070 7.6325 7.6325 8.0161 8.0161 8.6450 8.6450 9.1905 9.1905 9.3507 9.3507 k = 0.0728-0.2160 0.1886 ( 6932 PWs) bands (ev): -20.2850 -20.2850 -20.2222 -20.2222 -19.7143 -19.7143 -7.0028 -7.0028 -6.8465 -6.8465 -6.3971 -6.3971 -5.1460 -5.1460 -4.9713 -4.9713 -4.8536 -4.8536 -4.7264 -4.7264 -4.4455 -4.4455 -4.2579 -4.2579 -0.4290 -0.4290 0.1922 0.1922 3.1540 3.1540 5.3148 5.3148 5.9176 5.9176 6.4204 6.4204 6.6927 6.6927 6.9922 6.9922 7.1490 7.1490 7.6466 7.6466 7.9762 7.9762 8.7225 8.7225 9.1510 9.1510 9.2920 9.2920 k = 0.0809-0.2400 0.2095 ( 6942 PWs) bands (ev): -20.2840 -20.2840 -20.2228 -20.2228 -19.7142 -19.7142 -7.0024 -7.0024 -6.8503 -6.8503 -6.3991 -6.3991 -5.1474 -5.1474 -4.9773 -4.9773 -4.8480 -4.8480 -4.7313 -4.7313 -4.4509 -4.4509 -4.2584 -4.2584 -0.3992 -0.3992 0.1939 0.1939 3.1852 3.1852 5.3184 5.3184 5.8349 5.8349 6.4211 6.4211 6.6725 6.6725 6.9863 6.9863 7.1892 7.1892 7.6629 7.6629 7.9288 7.9288 8.8052 8.8052 9.1179 9.1179 9.2428 9.2428 k = 0.0890-0.2640 0.2305 ( 6950 PWs) bands (ev): -20.2830 -20.2830 -20.2236 -20.2236 -19.7140 -19.7140 -7.0019 -7.0019 -6.8543 -6.8543 -6.4013 -6.4013 -5.1488 -5.1488 -4.9834 -4.9834 -4.8426 -4.8426 -4.7363 -4.7363 -4.4565 -4.4565 -4.2587 -4.2587 -0.3674 -0.3674 0.1957 0.1957 3.2188 3.2188 5.3236 5.3236 5.7536 5.7536 6.4178 6.4178 6.6514 6.6514 6.9796 6.9796 7.2277 7.2277 7.6817 7.6817 7.8741 7.8741 8.8920 8.8920 9.0917 9.0917 9.2037 9.2037 k = 0.0970-0.2880 0.2514 ( 6952 PWs) bands (ev): -20.2819 -20.2819 -20.2244 -20.2244 -19.7138 -19.7138 -7.0013 -7.0013 -6.8587 -6.8587 -6.4035 -6.4035 -5.1502 -5.1502 -4.9894 -4.9894 -4.8375 -4.8375 -4.7415 -4.7415 -4.4625 -4.4625 -4.2591 -4.2591 -0.3340 -0.3340 0.1976 0.1976 3.2547 3.2547 5.3307 5.3307 5.6742 5.6742 6.4098 6.4098 6.6297 6.6297 6.9722 6.9722 7.2646 7.2646 7.7032 7.7032 7.8129 7.8129 8.9820 8.9820 9.0726 9.0726 9.1749 9.1749 k = 0.1051-0.3120 0.2724 ( 6962 PWs) bands (ev): -20.2807 -20.2807 -20.2253 -20.2253 -19.7136 -19.7136 -7.0006 -7.0006 -6.8634 -6.8634 -6.4058 -6.4058 -5.1515 -5.1515 -4.9955 -4.9955 -4.8326 -4.8326 -4.7465 -4.7465 -4.4686 -4.4686 -4.2594 -4.2594 -0.2992 -0.2992 0.1995 0.1995 3.2927 3.2927 5.3399 5.3399 5.5972 5.5972 6.3965 6.3965 6.6076 6.6076 6.9641 6.9641 7.2998 7.2998 7.7260 7.7260 7.7479 7.7479 9.0574 9.0574 9.0772 9.0772 9.1564 9.1564 k = 0.1132-0.3360 0.2933 ( 6968 PWs) bands (ev): -20.2794 -20.2794 -20.2262 -20.2262 -19.7134 -19.7134 -6.9998 -6.9998 -6.8683 -6.8683 -6.4082 -6.4082 -5.1528 -5.1528 -5.0017 -5.0017 -4.8280 -4.8280 -4.7515 -4.7515 -4.4748 -4.4748 -4.2596 -4.2596 -0.2633 -0.2633 0.2015 0.2015 3.3323 3.3323 5.3512 5.3512 5.5230 5.5230 6.3777 6.3777 6.5855 6.5855 6.9553 6.9553 7.3334 7.3334 7.6732 7.6732 7.7572 7.7572 9.0539 9.0539 9.1406 9.1406 9.1758 9.1758 k = 0.1213-0.3600 0.3143 ( 6962 PWs) bands (ev): -20.2780 -20.2780 -20.2272 -20.2272 -19.7132 -19.7132 -6.9988 -6.9988 -6.8734 -6.8734 -6.4107 -6.4107 -5.1539 -5.1539 -5.0080 -5.0080 -4.8235 -4.8235 -4.7563 -4.7563 -4.4810 -4.4810 -4.2598 -4.2598 -0.2268 -0.2268 0.2035 0.2035 3.3734 3.3734 5.3644 5.3644 5.4521 5.4521 6.3531 6.3531 6.5636 6.5636 6.9458 6.9458 7.3651 7.3651 7.5988 7.5988 7.7885 7.7885 9.0549 9.0549 9.1415 9.1415 9.2694 9.2694 k = 0.1294-0.3839 0.3352 ( 6962 PWs) bands (ev): -20.2766 -20.2766 -20.2283 -20.2283 -19.7131 -19.7131 -6.9976 -6.9976 -6.8788 -6.8788 -6.4131 -6.4131 -5.1547 -5.1547 -5.0145 -5.0145 -4.8193 -4.8193 -4.7609 -4.7609 -4.4872 -4.4872 -4.2600 -4.2600 -0.1900 -0.1900 0.2055 0.2055 3.4156 3.4156 5.3730 5.3730 5.3916 5.3916 6.3231 6.3231 6.5421 6.5421 6.9358 6.9358 7.3943 7.3943 7.5226 7.5226 7.8233 7.8233 9.0618 9.0618 9.1471 9.1471 9.3664 9.3664 k = 0.1375-0.4079 0.3562 ( 6978 PWs) bands (ev): -20.2752 -20.2752 -20.2294 -20.2294 -19.7129 -19.7129 -6.9963 -6.9963 -6.8843 -6.8843 -6.4155 -6.4155 -5.1554 -5.1554 -5.0211 -5.0211 -4.8152 -4.8152 -4.7652 -4.7652 -4.4934 -4.4934 -4.2601 -4.2601 -0.1533 -0.1533 0.2074 0.2074 3.4584 3.4584 5.3180 5.3180 5.4006 5.4006 6.2881 6.2881 6.5212 6.5212 6.9252 6.9252 7.4147 7.4147 7.4521 7.4521 7.8615 7.8615 9.0741 9.0741 9.1590 9.1590 9.4636 9.4636 k = 0.1456-0.4319 0.3771 ( 6982 PWs) bands (ev): -20.2736 -20.2736 -20.2306 -20.2306 -19.7127 -19.7127 -6.9948 -6.9948 -6.8900 -6.8900 -6.4179 -6.4179 -5.1558 -5.1558 -5.0279 -5.0279 -4.8112 -4.8112 -4.7693 -4.7693 -4.4994 -4.4994 -4.2602 -4.2602 -0.1169 -0.1169 0.2094 0.2094 3.5015 3.5015 5.2584 5.2584 5.4204 5.4204 6.2485 6.2485 6.5013 6.5013 6.9143 6.9143 7.3615 7.3615 7.4532 7.4532 7.9025 7.9025 9.0911 9.0911 9.1764 9.1764 9.5595 9.5595 k = 0.1536-0.4559 0.3981 ( 6982 PWs) bands (ev): -20.2720 -20.2720 -20.2319 -20.2319 -19.7125 -19.7125 -6.9930 -6.9930 -6.8958 -6.8958 -6.4203 -6.4203 -5.1558 -5.1558 -5.0349 -5.0349 -4.8075 -4.8075 -4.7730 -4.7730 -4.5053 -4.5053 -4.2603 -4.2603 -0.0814 -0.0814 0.2112 0.2112 3.5445 3.5445 5.2029 5.2029 5.4423 5.4423 6.2052 6.2052 6.4824 6.4824 6.9030 6.9030 7.2865 7.2865 7.4748 7.4748 7.9459 7.9459 9.1124 9.1124 9.1984 9.1984 9.6517 9.6517 k = 0.1617-0.4799 0.4190 ( 6988 PWs) bands (ev): -20.2704 -20.2704 -20.2332 -20.2332 -19.7123 -19.7123 -6.9911 -6.9911 -6.9016 -6.9016 -6.4226 -6.4226 -5.1555 -5.1555 -5.0419 -5.0419 -4.8039 -4.8039 -4.7763 -4.7763 -4.5109 -4.5109 -4.2604 -4.2604 -0.0470 -0.0470 0.2131 0.2131 3.5869 3.5869 5.1520 5.1520 5.4658 5.4658 6.1593 6.1593 6.4648 6.4648 6.8915 6.8915 7.2126 7.2126 7.4948 7.4948 7.9912 7.9912 9.1371 9.1371 9.2241 9.2241 9.7299 9.7299 k = 0.1698-0.5039 0.4400 ( 6978 PWs) bands (ev): -20.2688 -20.2688 -20.2345 -20.2345 -19.7121 -19.7121 -6.9889 -6.9889 -6.9076 -6.9076 -6.4247 -6.4247 -5.1549 -5.1549 -5.0491 -5.0491 -4.8007 -4.8007 -4.7790 -4.7790 -4.5163 -4.5163 -4.2605 -4.2605 -0.0142 -0.0142 0.2148 0.2148 3.6280 3.6280 5.1060 5.1060 5.4902 5.4902 6.1120 6.1120 6.4486 6.4486 6.8799 6.8799 7.1416 7.1416 7.5121 7.5121 8.0378 8.0378 9.1649 9.1649 9.2524 9.2524 9.7419 9.7419 k = 0.1779-0.5279 0.4609 ( 6980 PWs) bands (ev): -20.2671 -20.2671 -20.2359 -20.2359 -19.7120 -19.7120 -6.9865 -6.9865 -6.9135 -6.9135 -6.4268 -6.4268 -5.1537 -5.1537 -5.0563 -5.0563 -4.7982 -4.7982 -4.7809 -4.7809 -4.5214 -4.5214 -4.2606 -4.2606 0.0168 0.0168 0.2164 0.2164 3.6675 3.6675 5.0654 5.0654 5.5145 5.5145 6.0648 6.0648 6.4340 6.4340 6.8683 6.8683 7.0744 7.0744 7.5265 7.5265 8.0850 8.0850 9.1950 9.1950 9.2822 9.2822 9.7125 9.7125 k = 0.1860-0.5519 0.4819 ( 6962 PWs) bands (ev): -20.2653 -20.2653 -20.2374 -20.2374 -19.7118 -19.7118 -6.9839 -6.9839 -6.9194 -6.9194 -6.4286 -6.4286 -5.1522 -5.1522 -5.0635 -5.0635 -4.7970 -4.7970 -4.7813 -4.7813 -4.5262 -4.5262 -4.2607 -4.2607 0.0456 0.0456 0.2178 0.2178 3.7047 3.7047 5.0303 5.0303 5.5371 5.5371 6.0198 6.0198 6.4210 6.4210 6.8569 6.8569 7.0120 7.0120 7.5378 7.5378 8.1323 8.1323 9.2270 9.2270 9.3118 9.3118 9.6820 9.6820 k = 0.1941-0.5759 0.5028 ( 6968 PWs) bands (ev): -20.2636 -20.2636 -20.2389 -20.2389 -19.7117 -19.7117 -6.9809 -6.9809 -6.9253 -6.9253 -6.4304 -6.4304 -5.1502 -5.1502 -5.0707 -5.0707 -4.7975 -4.7975 -4.7799 -4.7799 -4.5306 -4.5306 -4.2608 -4.2608 0.0719 0.0719 0.2190 0.2190 3.7389 3.7389 5.0011 5.0011 5.5557 5.5557 5.9801 5.9801 6.4098 6.4098 6.8458 6.8458 6.9551 6.9551 7.5459 7.5459 8.1789 8.1789 9.2603 9.2603 9.3393 9.3393 9.6542 9.6542 k = 0.2022-0.5999 0.5238 ( 6968 PWs) bands (ev): -20.2618 -20.2618 -20.2405 -20.2405 -19.7116 -19.7116 -6.9777 -6.9777 -6.9311 -6.9311 -6.4319 -6.4319 -5.1477 -5.1477 -5.0778 -5.0778 -4.7991 -4.7991 -4.7772 -4.7772 -4.5346 -4.5346 -4.2609 -4.2609 0.0954 0.0954 0.2201 0.2201 3.7696 3.7696 4.9779 4.9779 5.5666 5.5666 5.9496 5.9496 6.4004 6.4004 6.8350 6.8350 6.9043 6.9043 7.5509 7.5509 8.2242 8.2242 9.2945 9.2945 9.3623 9.3623 9.6299 9.6299 k = 0.2102-0.6239 0.5447 ( 6962 PWs) bands (ev): -20.2600 -20.2600 -20.2421 -20.2421 -19.7115 -19.7115 -6.9743 -6.9743 -6.9368 -6.9368 -6.4333 -6.4333 -5.1448 -5.1448 -5.0847 -5.0847 -4.8014 -4.8014 -4.7737 -4.7737 -4.5382 -4.5382 -4.2611 -4.2611 0.1160 0.1160 0.2209 0.2209 3.7963 3.7963 4.9609 4.9609 5.5659 5.5659 5.9326 5.9326 6.3929 6.3929 6.8247 6.8247 6.8604 6.8604 7.5528 7.5528 8.2678 8.2678 9.3292 9.3292 9.3769 9.3769 9.6087 9.6087 k = 0.2183-0.6479 0.5657 ( 6962 PWs) bands (ev): -20.2583 -20.2583 -20.2437 -20.2437 -19.7114 -19.7114 -6.9706 -6.9706 -6.9424 -6.9424 -6.4344 -6.4344 -5.1414 -5.1414 -5.0914 -5.0914 -4.8040 -4.8040 -4.7699 -4.7699 -4.5414 -4.5414 -4.2614 -4.2614 0.1334 0.1334 0.2213 0.2213 3.8183 3.8183 4.9504 4.9504 5.5513 5.5513 5.9319 5.9319 6.3874 6.3874 6.8147 6.8147 6.8242 6.8242 7.5517 7.5517 8.3090 8.3090 9.3640 9.3640 9.3784 9.3784 9.5897 9.5897 k = 0.2264-0.6719 0.5867 ( 6956 PWs) bands (ev): -20.2565 -20.2565 -20.2454 -20.2454 -19.7113 -19.7113 -6.9667 -6.9667 -6.9478 -6.9478 -6.4353 -6.4353 -5.1376 -5.1376 -5.0979 -5.0979 -4.8067 -4.8067 -4.7659 -4.7659 -4.5441 -4.5441 -4.2616 -4.2616 0.1474 0.1474 0.2215 0.2215 3.8351 3.8351 4.9463 4.9463 5.5240 5.5240 5.9465 5.9465 6.3839 6.3839 6.7948 6.7948 6.8065 6.8065 7.5479 7.5479 8.3475 8.3475 9.3617 9.3617 9.3990 9.3990 9.5722 9.5722 k = 0.2345-0.6959 0.6076 ( 6956 PWs) bands (ev): -20.2547 -20.2547 -20.2471 -20.2471 -19.7112 -19.7112 -6.9626 -6.9626 -6.9528 -6.9528 -6.4360 -6.4360 -5.1334 -5.1334 -5.1040 -5.1040 -4.8095 -4.8095 -4.7619 -4.7619 -4.5463 -4.5463 -4.2620 -4.2620 0.1579 0.1579 0.2212 0.2212 3.8465 3.8465 4.9487 4.9487 5.4875 5.4875 5.9731 5.9731 6.3824 6.3824 6.7746 6.7746 6.7982 6.7982 7.5414 7.5414 8.3829 8.3829 9.3270 9.3270 9.4332 9.4332 9.5564 9.5564 k = 0.2426-0.7199 0.6286 ( 6968 PWs) bands (ev): -20.2529 -20.2529 -20.2488 -20.2488 -19.7112 -19.7112 -6.9601 -6.9601 -6.9558 -6.9558 -6.4365 -6.4365 -5.1289 -5.1289 -5.1095 -5.1095 -4.8123 -4.8123 -4.7578 -4.7578 -4.5480 -4.5480 -4.2623 -4.2623 0.1649 0.1649 0.2205 0.2205 3.8522 3.8522 4.9576 4.9576 5.4457 5.4457 6.0079 6.0079 6.3830 6.3830 6.7629 6.7629 6.7910 6.7910 7.5325 7.5325 8.4150 8.4150 9.2792 9.2792 9.4666 9.4666 9.5410 9.5410 k = 0.2507-0.7439 0.6495 ( 6958 PWs) bands (ev): -20.2512 -20.2512 -20.2506 -20.2506 -19.7112 -19.7112 -6.9637 -6.9637 -6.9524 -6.9524 -6.4367 -6.4367 -5.1249 -5.1249 -5.1139 -5.1139 -4.8150 -4.8150 -4.7537 -4.7537 -4.5492 -4.5492 -4.2628 -4.2628 0.1683 0.1683 0.2193 0.2193 3.8521 3.8521 4.9727 4.9727 5.4015 5.4015 6.0482 6.0482 6.3856 6.3856 6.7597 6.7597 6.7847 6.7847 7.5215 7.5215 8.4436 8.4436 9.2241 9.2241 9.4979 9.4979 9.5225 9.5225 k = 0.2588-0.7679 0.6705 ( 6964 PWs) bands (ev): -20.2523 -20.2523 -20.2494 -20.2494 -19.7112 -19.7112 -6.9682 -6.9682 -6.9475 -6.9475 -6.4367 -6.4367 -5.1243 -5.1243 -5.1140 -5.1140 -4.8178 -4.8178 -4.7497 -4.7497 -4.5498 -4.5498 -4.2633 -4.2633 0.1682 0.1682 0.2176 0.2176 3.8462 3.8462 4.9939 4.9939 5.3568 5.3568 6.0921 6.0921 6.3902 6.3902 6.7652 6.7652 6.7794 6.7794 7.5085 7.5085 8.4688 8.4688 9.1654 9.1654 9.4922 9.4922 9.5321 9.5321 k = 0.2669-0.7919 0.6914 ( 6966 PWs) bands (ev): -20.2541 -20.2541 -20.2477 -20.2477 -19.7112 -19.7112 -6.9725 -6.9725 -6.9423 -6.9423 -6.4364 -6.4364 -5.1276 -5.1276 -5.1094 -5.1094 -4.8204 -4.8204 -4.7459 -4.7459 -4.5499 -4.5499 -4.2638 -4.2638 0.1646 0.1646 0.2152 0.2152 3.8348 3.8348 5.0209 5.0209 5.3130 5.3130 6.1383 6.1383 6.3969 6.3969 6.7753 6.7753 6.7790 6.7790 7.4939 7.4939 8.4907 8.4907 9.1052 9.1052 9.4572 9.4572 9.5599 9.5599 k = 0.2669-0.7919 0.6914 ( 6966 PWs) bands (ev): -20.2541 -20.2541 -20.2477 -20.2477 -19.7112 -19.7112 -6.9725 -6.9725 -6.9423 -6.9423 -6.4364 -6.4364 -5.1276 -5.1276 -5.1094 -5.1094 -4.8204 -4.8204 -4.7459 -4.7459 -4.5499 -4.5499 -4.2638 -4.2638 0.1646 0.1646 0.2152 0.2152 3.8348 3.8348 5.0209 5.0209 5.3130 5.3130 6.1383 6.1383 6.3969 6.3969 6.7753 6.7753 6.7790 6.7790 7.4939 7.4939 8.4907 8.4907 9.1052 9.1052 9.4572 9.4572 9.5599 9.5599 k = 0.2928-0.7770 0.6866 ( 6966 PWs) bands (ev): -20.2537 -20.2537 -20.2481 -20.2481 -19.7112 -19.7112 -6.9715 -6.9715 -6.9436 -6.9436 -6.4365 -6.4365 -5.1267 -5.1267 -5.1106 -5.1106 -4.8197 -4.8197 -4.7469 -4.7469 -4.5499 -4.5499 -4.2637 -4.2637 0.1657 0.1657 0.2159 0.2159 3.8382 3.8382 5.0086 5.0086 5.3317 5.3317 6.1225 6.1225 6.3950 6.3950 6.7757 6.7757 6.7764 6.7764 7.4986 7.4986 8.4849 8.4849 9.1202 9.1202 9.4634 9.4634 9.5544 9.5544 k = 0.3187-0.7621 0.6817 ( 6968 PWs) bands (ev): -20.2533 -20.2533 -20.2485 -20.2485 -19.7112 -19.7112 -6.9704 -6.9704 -6.9449 -6.9449 -6.4366 -6.4366 -5.1259 -5.1259 -5.1118 -5.1118 -4.8189 -4.8189 -4.7481 -4.7481 -4.5498 -4.5498 -4.2635 -4.2635 0.1665 0.1665 0.2165 0.2165 3.8418 3.8418 4.9883 4.9883 5.3649 5.3649 6.0973 6.0973 6.3932 6.3932 6.7741 6.7741 6.7777 6.7777 7.5052 7.5052 8.4774 8.4774 9.1367 9.1367 9.4620 9.4620 9.5510 9.5510 k = 0.3446-0.7471 0.6769 ( 6970 PWs) bands (ev): -20.2530 -20.2530 -20.2488 -20.2488 -19.7112 -19.7112 -6.9692 -6.9692 -6.9463 -6.9463 -6.4366 -6.4366 -5.1250 -5.1250 -5.1130 -5.1130 -4.8179 -4.8179 -4.7494 -4.7494 -4.5497 -4.5497 -4.2633 -4.2633 0.1671 0.1671 0.2172 0.2172 3.8456 3.8456 4.9646 4.9646 5.4082 5.4082 6.0636 6.0636 6.3913 6.3913 6.7739 6.7739 6.7792 6.7792 7.5132 7.5132 8.4691 8.4691 9.1542 9.1542 9.4530 9.4530 9.5497 9.5497 k = 0.3705-0.7322 0.6720 ( 6965 PWs) bands (ev): -20.2526 -20.2526 -20.2492 -20.2492 -19.7112 -19.7112 -6.9679 -6.9679 -6.9477 -6.9477 -6.4366 -6.4366 -5.1242 -5.1242 -5.1141 -5.1141 -4.8169 -4.8169 -4.7507 -4.7507 -4.5496 -4.5496 -4.2632 -4.2632 0.1675 0.1675 0.2177 0.2177 3.8493 3.8493 4.9409 4.9409 5.4582 5.4582 6.0227 6.0227 6.3896 6.3896 6.7745 6.7745 6.7808 6.7808 7.5218 7.5218 8.4608 8.4608 9.1723 9.1723 9.4382 9.4382 9.5486 9.5486 k = 0.3964-0.7173 0.6672 ( 6966 PWs) bands (ev): -20.2523 -20.2523 -20.2495 -20.2495 -19.7112 -19.7112 -6.9667 -6.9667 -6.9491 -6.9491 -6.4367 -6.4367 -5.1233 -5.1233 -5.1152 -5.1152 -4.8160 -4.8160 -4.7520 -4.7520 -4.5495 -4.5495 -4.2630 -4.2630 0.1679 0.1679 0.2183 0.2183 3.8527 3.8527 4.9193 4.9193 5.5128 5.5128 5.9757 5.9757 6.3881 6.3881 6.7755 6.7755 6.7823 6.7823 7.5301 7.5301 8.4532 8.4532 9.1904 9.1904 9.4203 9.4203 9.5465 9.5465 k = 0.4223-0.7024 0.6623 ( 6969 PWs) bands (ev): -20.2519 -20.2519 -20.2498 -20.2498 -19.7112 -19.7112 -6.9655 -6.9655 -6.9504 -6.9504 -6.4367 -6.4367 -5.1225 -5.1225 -5.1163 -5.1163 -4.8151 -4.8151 -4.7531 -4.7531 -4.5494 -4.5494 -4.2629 -4.2629 0.1681 0.1681 0.2187 0.2187 3.8557 3.8557 4.9013 4.9013 5.5704 5.5704 5.9240 5.9240 6.3869 6.3869 6.7767 6.7767 6.7836 6.7836 7.5375 7.5375 8.4467 8.4467 9.2081 9.2081 9.4016 9.4016 9.5436 9.5436 k = 0.4482-0.6875 0.6574 ( 6977 PWs) bands (ev): -20.2517 -20.2517 -20.2501 -20.2501 -19.7112 -19.7112 -6.9644 -6.9644 -6.9516 -6.9516 -6.4367 -6.4367 -5.1216 -5.1216 -5.1173 -5.1173 -4.8144 -4.8144 -4.7540 -4.7540 -4.5493 -4.5493 -4.2628 -4.2628 0.1682 0.1682 0.2190 0.2190 3.8580 3.8580 4.8879 4.8879 5.6298 5.6298 5.8686 5.8686 6.3859 6.3859 6.7777 6.7777 6.7846 6.7846 7.5432 7.5432 8.4418 8.4418 9.2239 9.2239 9.3842 9.3842 9.5407 9.5407 k = 0.4741-0.6726 0.6526 ( 6978 PWs) bands (ev): -20.2514 -20.2514 -20.2503 -20.2503 -19.7112 -19.7112 -6.9637 -6.9637 -6.9524 -6.9524 -6.4367 -6.4367 -5.1207 -5.1207 -5.1183 -5.1183 -4.8140 -4.8140 -4.7545 -4.7545 -4.5492 -4.5492 -4.2627 -4.2627 0.1683 0.1683 0.2192 0.2192 3.8595 3.8595 4.8796 4.8796 5.6902 5.6902 5.8106 5.8106 6.3854 6.3854 6.7783 6.7783 6.7852 6.7852 7.5469 7.5469 8.4387 8.4387 9.2357 9.2357 9.3713 9.3713 9.5387 9.5387 k = 0.5000-0.6576 0.6477 ( 6980 PWs) bands (ev): -20.2513 -20.2513 -20.2504 -20.2504 -19.7112 -19.7112 -6.9634 -6.9634 -6.9526 -6.9526 -6.4367 -6.4367 -5.1201 -5.1201 -5.1189 -5.1189 -4.8138 -4.8138 -4.7547 -4.7547 -4.5492 -4.5492 -4.2627 -4.2627 0.1683 0.1683 0.2192 0.2192 3.8600 3.8600 4.8768 4.8768 5.7475 5.7475 5.7541 5.7541 6.3852 6.3852 6.7786 6.7786 6.7854 6.7854 7.5481 7.5481 8.4377 8.4377 9.2402 9.2402 9.3663 9.3663 9.5379 9.5379 k = 0.5000-0.6576 0.6477 ( 6980 PWs) bands (ev): -20.2513 -20.2513 -20.2504 -20.2504 -19.7112 -19.7112 -6.9634 -6.9634 -6.9526 -6.9526 -6.4367 -6.4367 -5.1201 -5.1201 -5.1189 -5.1189 -4.8138 -4.8138 -4.7547 -4.7547 -4.5492 -4.5492 -4.2627 -4.2627 0.1683 0.1683 0.2192 0.2192 3.8600 3.8600 4.8768 4.8768 5.7475 5.7475 5.7541 5.7541 6.3852 6.3852 6.7786 6.7786 6.7854 6.7854 7.5481 7.5481 8.4377 8.4377 9.2402 9.2402 9.3663 9.3663 9.5379 9.5379 k = 0.4934-0.6381 0.6726 ( 6972 PWs) bands (ev): -20.2513 -20.2513 -20.2504 -20.2504 -19.7112 -19.7112 -6.9635 -6.9635 -6.9527 -6.9527 -6.4368 -6.4368 -5.1238 -5.1238 -5.1151 -5.1151 -4.8146 -4.8146 -4.7549 -4.7549 -4.5492 -4.5492 -4.2633 -4.2633 0.1690 0.1690 0.2200 0.2200 3.8574 3.8574 4.8785 4.8785 5.7481 5.7481 5.7527 5.7527 6.3808 6.3808 6.7797 6.7797 6.7820 6.7820 7.5457 7.5457 8.4377 8.4377 9.2384 9.2384 9.3694 9.3694 9.5404 9.5405 k = 0.4868-0.6186 0.6975 ( 6976 PWs) bands (ev): -20.2511 -20.2511 -20.2502 -20.2502 -19.7110 -19.7110 -6.9637 -6.9637 -6.9530 -6.9530 -6.4370 -6.4370 -5.1280 -5.1280 -5.1107 -5.1107 -4.8169 -4.8169 -4.7553 -4.7553 -4.5491 -4.5491 -4.2652 -4.2652 0.1712 0.1712 0.2224 0.2224 3.8495 3.8495 4.8835 4.8835 5.7419 5.7419 5.7565 5.7565 6.3678 6.3678 6.7650 6.7650 6.7901 6.7901 7.5384 7.5384 8.4379 8.4379 9.2328 9.2328 9.3746 9.3746 9.5490 9.5490 k = 0.4803-0.5991 0.7224 ( 6970 PWs) bands (ev): -20.2508 -20.2508 -20.2500 -20.2500 -19.7107 -19.7107 -6.9640 -6.9640 -6.9534 -6.9534 -6.4375 -6.4375 -5.1321 -5.1321 -5.1063 -5.1063 -4.8206 -4.8206 -4.7561 -4.7561 -4.5491 -4.5491 -4.2683 -4.2683 0.1747 0.1747 0.2262 0.2262 3.8365 3.8365 4.8917 4.8917 5.7285 5.7285 5.7657 5.7657 6.3469 6.3469 6.7413 6.7413 6.8042 6.8042 7.5262 7.5262 8.4381 8.4381 9.2232 9.2232 9.3721 9.3721 9.5709 9.5709 k = 0.4737-0.5795 0.7473 ( 6968 PWs) bands (ev): -20.2505 -20.2505 -20.2496 -20.2496 -19.7104 -19.7104 -6.9644 -6.9644 -6.9540 -6.9540 -6.4381 -6.4381 -5.1362 -5.1362 -5.1018 -5.1018 -4.8257 -4.8257 -4.7574 -4.7574 -4.5489 -4.5489 -4.2726 -4.2726 0.1797 0.1797 0.2317 0.2317 3.8182 3.8182 4.9028 4.9028 5.7091 5.7091 5.7787 5.7787 6.3193 6.3193 6.7108 6.7108 6.8239 6.8239 7.5093 7.5093 8.4383 8.4383 9.2093 9.2093 9.3532 9.3532 9.6145 9.6145 k = 0.4671-0.5600 0.7722 ( 6980 PWs) bands (ev): -20.2500 -20.2500 -20.2491 -20.2491 -19.7099 -19.7099 -6.9650 -6.9650 -6.9548 -6.9548 -6.4389 -6.4389 -5.1402 -5.1402 -5.0971 -5.0971 -4.8319 -4.8319 -4.7592 -4.7592 -4.5487 -4.5487 -4.2780 -4.2780 0.1861 0.1861 0.2387 0.2387 3.7948 3.7948 4.9165 4.9165 5.6837 5.6837 5.7952 5.7952 6.2862 6.2862 6.6758 6.6758 6.8490 6.8490 7.4878 7.4878 8.4384 8.4384 9.1909 9.1909 9.3184 9.3184 9.6798 9.6798 k = 0.4605-0.5405 0.7971 ( 6978 PWs) bands (ev): -20.2494 -20.2494 -20.2486 -20.2486 -19.7093 -19.7093 -6.9657 -6.9657 -6.9558 -6.9558 -6.4399 -6.4399 -5.1442 -5.1442 -5.0925 -5.0925 -4.8393 -4.8393 -4.7615 -4.7615 -4.5484 -4.5484 -4.2845 -4.2845 0.1939 0.1939 0.2472 0.2472 3.7661 3.7661 4.9321 4.9321 5.6526 5.6526 5.8151 5.8151 6.2490 6.2490 6.6383 6.6383 6.8793 6.8793 7.4619 7.4619 8.4384 8.4384 9.1679 9.1679 9.2717 9.2717 9.7623 9.7623 k = 0.4539-0.5210 0.8220 ( 6972 PWs) bands (ev): -20.2487 -20.2487 -20.2479 -20.2479 -19.7087 -19.7087 -6.9666 -6.9666 -6.9570 -6.9570 -6.4411 -6.4411 -5.1481 -5.1481 -5.0878 -5.0878 -4.8477 -4.8477 -4.7644 -4.7644 -4.5479 -4.5479 -4.2920 -4.2920 0.2032 0.2032 0.2571 0.2571 3.7323 3.7323 4.9489 4.9489 5.6160 5.6160 5.8379 5.8379 6.2092 6.2092 6.6007 6.6007 6.9145 6.9145 7.4319 7.4319 8.4380 8.4380 9.1403 9.1403 9.2168 9.2168 9.8580 9.8580 k = 0.4474-0.5015 0.8469 ( 6972 PWs) bands (ev): -20.2480 -20.2480 -20.2472 -20.2472 -19.7080 -19.7080 -6.9676 -6.9676 -6.9583 -6.9583 -6.4425 -6.4425 -5.1520 -5.1520 -5.0830 -5.0830 -4.8569 -4.8569 -4.7679 -4.7679 -4.5473 -4.5473 -4.3005 -4.3005 0.2139 0.2139 0.2686 0.2686 3.6934 3.6934 4.9652 4.9652 5.5753 5.5753 5.8633 5.8633 6.1683 6.1683 6.5645 6.5645 6.9544 6.9544 7.3981 7.3981 8.4373 8.4373 9.1079 9.1079 9.1567 9.1567 9.9629 9.9629 k = 0.4408-0.4819 0.8718 ( 6976 PWs) bands (ev): -20.2471 -20.2471 -20.2464 -20.2464 -19.7071 -19.7071 -6.9687 -6.9687 -6.9598 -6.9598 -6.4440 -6.4440 -5.1558 -5.1558 -5.0781 -5.0781 -4.8670 -4.8670 -4.7720 -4.7720 -4.5465 -4.5465 -4.3098 -4.3098 0.2260 0.2260 0.2815 0.2815 3.6496 3.6496 4.9792 4.9792 5.5325 5.5325 5.8906 5.8906 6.1277 6.1277 6.5310 6.5310 6.9986 6.9986 7.3610 7.3610 8.4358 8.4358 9.0696 9.0696 9.0950 9.0950 10.0714 10.0714 k = 0.4342-0.4624 0.8967 ( 6964 PWs) bands (ev): -20.2462 -20.2462 -20.2455 -20.2455 -19.7062 -19.7062 -6.9700 -6.9700 -6.9615 -6.9615 -6.4458 -6.4458 -5.1595 -5.1595 -5.0733 -5.0733 -4.8776 -4.8776 -4.7767 -4.7767 -4.5455 -4.5455 -4.3198 -4.3198 0.2395 0.2395 0.2959 0.2959 3.6010 3.6010 4.9874 4.9874 5.4914 5.4914 5.9188 5.9188 6.0894 6.0894 6.5011 6.5011 7.0465 7.0465 7.3210 7.3210 8.4332 8.4332 9.0175 9.0175 9.0418 9.0418 10.1704 10.1704 k = 0.4276-0.4429 0.9216 ( 6968 PWs) bands (ev): -20.2452 -20.2452 -20.2445 -20.2445 -19.7052 -19.7052 -6.9715 -6.9715 -6.9634 -6.9634 -6.4477 -6.4477 -5.1632 -5.1632 -5.0684 -5.0684 -4.8889 -4.8889 -4.7819 -4.7819 -4.5444 -4.5444 -4.3304 -4.3304 0.2545 0.2545 0.3116 0.3116 3.5479 3.5479 4.9854 4.9854 5.4571 5.4571 5.9445 5.9445 6.0569 6.0569 6.4748 6.4748 7.0976 7.0976 7.2788 7.2788 8.4290 8.4290 8.9536 8.9536 8.9973 8.9973 10.2393 10.2393 k = 0.4211-0.4234 0.9465 ( 6972 PWs) bands (ev): -20.2442 -20.2442 -20.2435 -20.2435 -19.7042 -19.7042 -6.9730 -6.9730 -6.9654 -6.9654 -6.4499 -6.4499 -5.1668 -5.1668 -5.0636 -5.0636 -4.9005 -4.9005 -4.7875 -4.7875 -4.5432 -4.5432 -4.3415 -4.3415 0.2708 0.2708 0.3286 0.3286 3.4905 3.4905 4.9681 4.9681 5.4352 5.4352 5.9569 5.9569 6.0413 6.0413 6.4523 6.4523 7.1498 7.1498 7.2365 7.2365 8.4223 8.4223 8.8889 8.8889 8.9531 8.9531 10.2743 10.2743 k = 0.4145-0.4038 0.9714 ( 6974 PWs) bands (ev): -20.2430 -20.2430 -20.2424 -20.2424 -19.7031 -19.7031 -6.9748 -6.9748 -6.9676 -6.9676 -6.4522 -6.4522 -5.1704 -5.1704 -5.0588 -5.0588 -4.9125 -4.9125 -4.7936 -4.7936 -4.5418 -4.5418 -4.3529 -4.3529 0.2886 0.2886 0.3469 0.3469 3.4292 3.4292 4.9326 4.9326 5.4296 5.4296 5.9439 5.9439 6.0546 6.0546 6.4333 6.4333 7.1750 7.1750 7.2220 7.2220 8.4120 8.4120 8.8269 8.8269 8.9081 8.9081 10.2929 10.2929 k = 0.4079-0.3843 0.9963 ( 6974 PWs) bands (ev): -20.2419 -20.2419 -20.2412 -20.2412 -19.7020 -19.7020 -6.9766 -6.9766 -6.9700 -6.9700 -6.4547 -6.4547 -5.1738 -5.1738 -5.0541 -5.0541 -4.9247 -4.9247 -4.8001 -4.8001 -4.5403 -4.5403 -4.3646 -4.3646 0.3078 0.3078 0.3665 0.3665 3.3643 3.3643 4.8800 4.8800 5.4399 5.4399 5.9187 5.9187 6.0836 6.0836 6.4174 6.4174 7.1357 7.1357 7.2729 7.2729 8.3963 8.3963 8.7701 8.7701 8.8628 8.8628 10.2903 10.2903 k = 0.4013-0.3648 1.0212 ( 6978 PWs) bands (ev): -20.2406 -20.2406 -20.2400 -20.2400 -19.7008 -19.7008 -6.9786 -6.9786 -6.9725 -6.9725 -6.4574 -6.4574 -5.1772 -5.1772 -5.0495 -5.0495 -4.9369 -4.9369 -4.8068 -4.8068 -4.5389 -4.5389 -4.3764 -4.3764 0.3284 0.3284 0.3872 0.3872 3.2962 3.2962 4.8139 4.8139 5.4632 5.4632 5.8919 5.8919 6.1171 6.1171 6.4043 6.4043 7.0898 7.0898 7.3311 7.3311 8.3734 8.3734 8.7211 8.7211 8.8181 8.8181 10.2731 10.2731 k = 0.3947-0.3453 1.0461 ( 6974 PWs) bands (ev): -20.2394 -20.2394 -20.2388 -20.2388 -19.6995 -19.6995 -6.9808 -6.9808 -6.9752 -6.9752 -6.4602 -6.4602 -5.1804 -5.1804 -5.0453 -5.0453 -4.9490 -4.9490 -4.8136 -4.8136 -4.5375 -4.5375 -4.3881 -4.3881 0.3504 0.3504 0.4090 0.4090 3.2254 3.2254 4.7386 4.7386 5.4959 5.4959 5.8665 5.8665 6.1516 6.1516 6.3935 6.3935 7.0440 7.0440 7.3898 7.3898 8.3417 8.3417 8.6818 8.6818 8.7747 8.7747 10.2525 10.2525 k = 0.3882-0.3257 1.0710 ( 6972 PWs) bands (ev): -20.2381 -20.2381 -20.2376 -20.2376 -19.6983 -19.6983 -6.9831 -6.9831 -6.9780 -6.9780 -6.4632 -6.4632 -5.1835 -5.1835 -5.0415 -5.0415 -4.9606 -4.9606 -4.8207 -4.8207 -4.5363 -4.5363 -4.3995 -4.3995 0.3738 0.3738 0.4318 0.4318 3.1523 3.1523 4.6574 4.6574 5.5352 5.5352 5.8435 5.8435 6.1852 6.1852 6.3848 6.3848 6.9995 6.9995 7.4477 7.4477 8.3009 8.3009 8.6528 8.6528 8.7334 8.7334 10.2310 10.2310 k = 0.3816-0.3062 1.0959 ( 6968 PWs) bands (ev): -20.2368 -20.2368 -20.2363 -20.2363 -19.6970 -19.6970 -6.9855 -6.9855 -6.9809 -6.9809 -6.4663 -6.4663 -5.1864 -5.1864 -5.0385 -5.0385 -4.9714 -4.9714 -4.8277 -4.8277 -4.5354 -4.5354 -4.4105 -4.4105 0.3985 0.3985 0.4555 0.4555 3.0773 3.0773 4.5726 4.5726 5.5790 5.5790 5.8232 5.8232 6.2166 6.2166 6.3778 6.3778 6.9577 6.9577 7.5034 7.5034 8.2524 8.2524 8.6330 8.6330 8.6954 8.6954 10.2103 10.2103 k = 0.3750-0.2867 1.1208 ( 6962 PWs) bands (ev): -20.2355 -20.2355 -20.2350 -20.2350 -19.6957 -19.6957 -6.9880 -6.9880 -6.9839 -6.9839 -6.4695 -6.4695 -5.1892 -5.1892 -5.0370 -5.0370 -4.9807 -4.9807 -4.8348 -4.8348 -4.5350 -4.5350 -4.4208 -4.4208 0.4246 0.4246 0.4800 0.4800 3.0008 3.0008 4.4861 4.4861 5.6260 5.6260 5.8055 5.8055 6.2446 6.2446 6.3723 6.3723 6.9197 6.9197 7.5556 7.5556 8.1982 8.1982 8.6199 8.6199 8.6618 8.6618 10.1915 10.1915 k = 0.3684-0.2672 1.1457 ( 6962 PWs) bands (ev): -20.2342 -20.2342 -20.2338 -20.2338 -19.6944 -19.6944 -6.9906 -6.9906 -6.9870 -6.9870 -6.4729 -6.4729 -5.1917 -5.1917 -5.0378 -5.0378 -4.9875 -4.9875 -4.8418 -4.8418 -4.5352 -4.5352 -4.4302 -4.4302 0.4520 0.4520 0.5053 0.5053 2.9233 2.9233 4.3991 4.3991 5.6749 5.6749 5.7906 5.7906 6.2676 6.2676 6.3680 6.3680 6.8872 6.8872 7.6030 7.6030 8.1406 8.1406 8.6097 8.6097 8.6355 8.6355 10.1757 10.1757 k = 0.3618-0.2476 1.1706 ( 6960 PWs) bands (ev): -20.2329 -20.2329 -20.2325 -20.2325 -19.6932 -19.6932 -6.9933 -6.9933 -6.9901 -6.9901 -6.4763 -6.4763 -5.1940 -5.1940 -5.0417 -5.0417 -4.9911 -4.9911 -4.8487 -4.8487 -4.5363 -4.5363 -4.4384 -4.4384 0.4806 0.4806 0.5311 0.5311 2.8453 2.8453 4.3125 4.3125 5.7249 5.7249 5.7784 5.7784 6.2845 6.2845 6.3644 6.3644 6.8616 6.8616 7.6444 7.6444 8.0813 8.0813 8.5956 8.5956 8.6224 8.6224 10.1637 10.1637 k = 0.3553-0.2281 1.1955 ( 6950 PWs) bands (ev): -20.2316 -20.2316 -20.2312 -20.2312 -19.6919 -19.6919 -6.9961 -6.9961 -6.9933 -6.9933 -6.4798 -6.4798 -5.1961 -5.1961 -5.0485 -5.0485 -4.9916 -4.9916 -4.8554 -4.8554 -4.5384 -4.5384 -4.4452 -4.4452 0.5105 0.5105 0.5573 0.5573 2.7671 2.7671 4.2273 4.2273 5.7665 5.7665 5.7775 5.7775 6.2944 6.2944 6.3612 6.3612 6.8444 6.8444 7.6787 7.6787 8.0215 8.0215 8.5796 8.5796 8.6199 8.6199 10.1561 10.1561 k = 0.3487-0.2086 1.2204 ( 6950 PWs) bands (ev): -20.2303 -20.2303 -20.2300 -20.2300 -19.6907 -19.6907 -6.9989 -6.9989 -6.9964 -6.9964 -6.4833 -6.4833 -5.1979 -5.1979 -5.0572 -5.0572 -4.9900 -4.9900 -4.8619 -4.8619 -4.5417 -4.5417 -4.4505 -4.4505 0.5415 0.5415 0.5838 0.5838 2.6891 2.6891 4.1439 4.1439 5.7605 5.7605 5.8263 5.8263 6.2965 6.2965 6.3580 6.3580 6.8365 6.8365 7.7052 7.7052 7.9620 7.9620 8.5674 8.5674 8.6217 8.6217 10.1534 10.1534 k = 0.3421-0.1891 1.2453 ( 6962 PWs) bands (ev): -20.2291 -20.2291 -20.2288 -20.2288 -19.6895 -19.6895 -7.0018 -7.0018 -6.9994 -6.9994 -6.4867 -6.4867 -5.1994 -5.1994 -5.0668 -5.0668 -4.9872 -4.9872 -4.8682 -4.8682 -4.5460 -4.5460 -4.4542 -4.4542 0.5735 0.5735 0.6104 0.6104 2.6118 2.6118 4.0630 4.0630 5.7555 5.7555 5.8755 5.8755 6.2905 6.2905 6.3557 6.3557 6.8378 6.8378 7.7235 7.7235 7.9036 7.9036 8.5602 8.5602 8.6259 8.6259 10.1562 10.1562 k = 0.3355-0.1696 1.2702 ( 6962 PWs) bands (ev): -20.2279 -20.2279 -20.2277 -20.2277 -19.6883 -19.6883 -7.0047 -7.0047 -7.0023 -7.0023 -6.4902 -6.4902 -5.2005 -5.2005 -5.0768 -5.0768 -4.9836 -4.9836 -4.8743 -4.8743 -4.5513 -4.5513 -4.4566 -4.4566 0.6065 0.6065 0.6368 0.6368 2.5355 2.5355 3.9852 3.9852 5.7526 5.7526 5.9229 5.9229 6.2763 6.2763 6.3555 6.3555 6.8472 6.8472 7.7337 7.7337 7.8467 7.8467 8.5579 8.5579 8.6315 8.6315 10.1646 10.1646 k = 0.3289-0.1500 1.2951 ( 6958 PWs) bands (ev): -20.2268 -20.2268 -20.2266 -20.2266 -19.6872 -19.6872 -7.0076 -7.0076 -7.0052 -7.0052 -6.4935 -6.4935 -5.2013 -5.2013 -5.0868 -5.0868 -4.9798 -4.9798 -4.8800 -4.8800 -4.5572 -4.5572 -4.4579 -4.4579 0.6402 0.6402 0.6630 0.6630 2.4606 2.4606 3.9107 3.9107 5.7517 5.7517 5.9678 5.9678 6.2554 6.2554 6.3579 6.3579 6.8633 6.8633 7.7356 7.7356 7.7927 7.7927 8.5594 8.5594 8.6382 8.6382 10.1786 10.1786 k = 0.3224-0.1305 1.3200 ( 6954 PWs) bands (ev): -20.2257 -20.2257 -20.2255 -20.2255 -19.6862 -19.6862 -7.0105 -7.0105 -7.0079 -7.0079 -6.4968 -6.4968 -5.2017 -5.2017 -5.0966 -5.0966 -4.9757 -4.9757 -4.8855 -4.8855 -4.5635 -4.5635 -4.4583 -4.4583 0.6746 0.6746 0.6885 0.6885 2.3877 2.3877 3.8402 3.8402 5.7528 5.7528 6.0092 6.0092 6.2299 6.2299 6.3629 6.3629 6.8843 6.8843 7.7214 7.7214 7.7508 7.7508 8.5636 8.5636 8.6456 8.6456 10.1982 10.1982 k = 0.3158-0.1110 1.3449 ( 6954 PWs) bands (ev): -20.2247 -20.2247 -20.2245 -20.2245 -19.6852 -19.6852 -7.0132 -7.0132 -7.0104 -7.0104 -6.4999 -6.4999 -5.2018 -5.2018 -5.1062 -5.1062 -4.9716 -4.9716 -4.8907 -4.8907 -4.5699 -4.5699 -4.4580 -4.4580 0.7091 0.7091 0.7135 0.7135 2.3170 2.3170 3.7739 3.7739 5.7559 5.7559 6.0461 6.0461 6.2016 6.2016 6.3707 6.3707 6.9089 6.9089 7.6778 7.6778 7.7356 7.7356 8.5692 8.5692 8.6533 8.6533 10.2230 10.2230 k = 0.3092-0.0915 1.3698 ( 6942 PWs) bands (ev): -20.2238 -20.2238 -20.2236 -20.2236 -19.6843 -19.6843 -7.0159 -7.0159 -7.0128 -7.0128 -6.5028 -6.5028 -5.2014 -5.2014 -5.1154 -5.1154 -4.9676 -4.9676 -4.8956 -4.8956 -4.5762 -4.5762 -4.4574 -4.4574 0.7367 0.7367 0.7444 0.7444 2.2492 2.2492 3.7124 3.7124 5.7607 5.7607 6.0773 6.0773 6.1726 6.1726 6.3815 6.3815 6.9359 6.9359 7.6288 7.6288 7.7244 7.7244 8.5753 8.5753 8.6612 8.6612 10.2523 10.2523 k = 0.3026-0.0719 1.3947 ( 6934 PWs) bands (ev): -20.2229 -20.2229 -20.2228 -20.2228 -19.6834 -19.6834 -7.0183 -7.0183 -7.0150 -7.0150 -6.5055 -6.5055 -5.2006 -5.2006 -5.1242 -5.1242 -4.9636 -4.9636 -4.9002 -4.9002 -4.5822 -4.5822 -4.4565 -4.4565 0.7590 0.7590 0.7788 0.7788 2.1848 2.1848 3.6560 3.6560 5.7673 5.7673 6.0996 6.0996 6.1464 6.1464 6.3951 6.3951 6.9646 6.9646 7.5807 7.5807 7.7123 7.7123 8.5811 8.5811 8.6690 8.6690 10.2854 10.2854 k = 0.2961-0.0524 1.4196 ( 6942 PWs) bands (ev): -20.2221 -20.2221 -20.2221 -20.2221 -19.6827 -19.6827 -7.0206 -7.0206 -7.0170 -7.0170 -6.5080 -6.5080 -5.1994 -5.1994 -5.1326 -5.1326 -4.9597 -4.9597 -4.9046 -4.9046 -4.5878 -4.5878 -4.4554 -4.4554 0.7796 0.7796 0.8124 0.8124 2.1244 2.1244 3.6051 3.6051 5.7754 5.7754 6.0973 6.0973 6.1396 6.1396 6.4110 6.4110 6.9943 6.9943 7.5343 7.5343 7.6994 7.6994 8.5861 8.5861 8.6766 8.6766 10.3213 10.3213 k = 0.2895-0.0329 1.4445 ( 6942 PWs) bands (ev): -20.2215 -20.2215 -20.2214 -20.2214 -19.6820 -19.6820 -7.0226 -7.0226 -7.0188 -7.0188 -6.5103 -6.5103 -5.1978 -5.1978 -5.1404 -5.1404 -4.9559 -4.9559 -4.9086 -4.9086 -4.5928 -4.5928 -4.4544 -4.4544 0.7982 0.7982 0.8446 0.8446 2.0687 2.0687 3.5601 3.5601 5.7851 5.7851 6.0729 6.0729 6.1508 6.1508 6.4283 6.4283 7.0246 7.0246 7.4899 7.4899 7.6866 7.6866 8.5900 8.5900 8.6838 8.6838 10.3587 10.3587 k = 0.2829-0.0134 1.4694 ( 6944 PWs) bands (ev): -20.2209 -20.2209 -20.2208 -20.2208 -19.6815 -19.6815 -7.0243 -7.0243 -7.0203 -7.0203 -6.5122 -6.5122 -5.1957 -5.1957 -5.1478 -5.1478 -4.9524 -4.9524 -4.9124 -4.9124 -4.5972 -4.5972 -4.4534 -4.4534 0.8146 0.8146 0.8745 0.8745 2.0188 2.0188 3.5213 3.5213 5.7961 5.7961 6.0459 6.0459 6.1616 6.1616 6.4458 6.4458 7.0552 7.0552 7.4475 7.4475 7.6745 7.6745 8.5928 8.5928 8.6903 8.6903 10.3961 10.3961 k = 0.2763 0.0062 1.4943 ( 6946 PWs) bands (ev): -20.2204 -20.2204 -20.2204 -20.2204 -19.6810 -19.6810 -7.0258 -7.0258 -7.0216 -7.0216 -6.5138 -6.5138 -5.1932 -5.1932 -5.1547 -5.1547 -4.9490 -4.9490 -4.9158 -4.9158 -4.6008 -4.6008 -4.4525 -4.4525 0.8284 0.8284 0.9013 0.9013 1.9755 1.9755 3.4891 3.4891 5.8080 5.8080 6.0199 6.0199 6.1698 6.1698 6.4622 6.4622 7.0857 7.0857 7.4075 7.4075 7.6637 7.6637 8.5947 8.5947 8.6961 8.6961 10.4318 10.4318 k = 0.2697 0.0257 1.5192 ( 6946 PWs) bands (ev): -20.2200 -20.2200 -20.2200 -20.2200 -19.6806 -19.6806 -7.0269 -7.0269 -7.0226 -7.0226 -6.5151 -6.5151 -5.1902 -5.1902 -5.1611 -5.1611 -4.9460 -4.9460 -4.9190 -4.9190 -4.6037 -4.6037 -4.4518 -4.4518 0.8394 0.8394 0.9238 0.9238 1.9401 1.9401 3.4637 3.4637 5.8203 5.8203 5.9963 5.9963 6.1756 6.1756 6.4762 6.4762 7.1156 7.1156 7.3704 7.3704 7.6548 7.6548 8.5958 8.5958 8.7007 8.7007 10.4636 10.4636 k = 0.2632 0.0452 1.5441 ( 6946 PWs) bands (ev): -20.2198 -20.2198 -20.2197 -20.2197 -19.6804 -19.6804 -7.0278 -7.0278 -7.0233 -7.0233 -6.5160 -6.5160 -5.1869 -5.1869 -5.1669 -5.1669 -4.9433 -4.9433 -4.9216 -4.9216 -4.6058 -4.6058 -4.4512 -4.4512 0.8474 0.8474 0.9410 0.9410 1.9136 1.9136 3.4454 3.4454 5.8319 5.8319 5.9766 5.9766 6.1793 6.1793 6.4870 6.4870 7.1433 7.1433 7.3375 7.3375 7.6481 7.6481 8.5964 8.5964 8.7042 8.7042 10.4891 10.4891 k = 0.2566 0.0647 1.5690 ( 6946 PWs) bands (ev): -20.2196 -20.2196 -20.2196 -20.2196 -19.6802 -19.6802 -7.0283 -7.0283 -7.0238 -7.0238 -6.5165 -6.5165 -5.1833 -5.1833 -5.1719 -5.1719 -4.9415 -4.9415 -4.9235 -4.9235 -4.6071 -4.6071 -4.4509 -4.4509 0.8523 0.8523 0.9518 0.9518 1.8973 1.8973 3.4343 3.4343 5.8409 5.8409 5.9627 5.9627 6.1815 6.1815 6.4937 6.4937 7.1655 7.1655 7.3122 7.3122 7.6440 7.6440 8.5967 8.5967 8.7064 8.7064 10.5056 10.5056 k = 0.2500 0.0842 1.5939 ( 6952 PWs) bands (ev): -20.2195 -20.2195 -20.2195 -20.2195 -19.6801 -19.6801 -7.0285 -7.0285 -7.0239 -7.0239 -6.5167 -6.5167 -5.1810 -5.1810 -5.1747 -5.1747 -4.9407 -4.9407 -4.9242 -4.9242 -4.6075 -4.6075 -4.4508 -4.4508 0.8539 0.8539 0.9554 0.9554 1.8917 1.8917 3.4306 3.4306 5.8444 5.8444 5.9575 5.9575 6.1821 6.1821 6.4960 6.4960 7.1748 7.1748 7.3018 7.3018 7.6426 7.6426 8.5968 8.5968 8.7071 8.7071 10.5114 10.5114 k = 0.0284-0.0842 1.5939 ( 6939 PWs) bands (ev): -20.2200 -20.2200 -20.2195 -20.2195 -19.6803 -19.6803 -7.0272 -7.0272 -7.0240 -7.0240 -6.5160 -6.5160 -5.1896 -5.1896 -5.1637 -5.1637 -4.9491 -4.9491 -4.9158 -4.9158 -4.6061 -4.6061 -4.4504 -4.4504 0.8509 0.8509 0.9473 0.9473 1.9102 1.9102 3.4407 3.4407 5.8355 5.8355 5.9575 5.9575 6.1477 6.1477 6.5301 6.5301 7.1406 7.1406 7.3813 7.3813 7.6127 7.6127 8.5763 8.5763 8.6992 8.6992 10.4374 10.4374 k = 0.0350-0.1039 1.5689 ( 6935 PWs) bands (ev): -20.2204 -20.2204 -20.2196 -20.2196 -19.6806 -19.6806 -7.0260 -7.0260 -7.0237 -7.0237 -6.5152 -6.5152 -5.1917 -5.1917 -5.1594 -5.1594 -4.9500 -4.9500 -4.9150 -4.9150 -4.6041 -4.6041 -4.4509 -4.4509 0.8425 0.8425 0.9326 0.9326 1.9335 1.9335 3.4592 3.4592 5.8308 5.8308 5.9593 5.9593 6.1464 6.1464 6.5258 6.5258 7.1181 7.1181 7.4089 7.4089 7.6236 7.6236 8.5714 8.5714 8.6986 8.6986 10.4225 10.4225 k = 0.0416-0.1236 1.5438 ( 6941 PWs) bands (ev): -20.2209 -20.2209 -20.2198 -20.2198 -19.6809 -19.6809 -7.0246 -7.0246 -7.0231 -7.0231 -6.5140 -6.5140 -5.1939 -5.1939 -5.1540 -5.1540 -4.9516 -4.9516 -4.9135 -4.9135 -4.6012 -4.6012 -4.4515 -4.4515 0.8312 0.8312 0.9120 0.9120 1.9664 1.9664 3.4850 3.4850 5.8217 5.8217 5.9667 5.9667 6.1453 6.1453 6.5183 6.5183 7.0910 7.0910 7.4428 7.4428 7.6363 7.6363 8.5673 8.5673 8.6959 8.6959 10.4077 10.4077 k = 0.0483-0.1432 1.5187 ( 6943 PWs) bands (ev): -20.2215 -20.2215 -20.2201 -20.2201 -19.6814 -19.6814 -7.0230 -7.0230 -7.0220 -7.0220 -6.5125 -6.5125 -5.1960 -5.1960 -5.1478 -5.1478 -4.9538 -4.9538 -4.9113 -4.9113 -4.5976 -4.5976 -4.4524 -4.4524 0.8170 0.8170 0.8866 0.8866 2.0076 2.0076 3.5177 3.5177 5.8104 5.8104 5.9765 5.9765 6.1442 6.1442 6.5091 6.5091 7.0615 7.0615 7.4809 7.4809 7.6505 7.6505 8.5641 8.5641 8.6910 8.6910 10.3931 10.3931 k = 0.0549-0.1629 1.4937 ( 6955 PWs) bands (ev): -20.2222 -20.2222 -20.2205 -20.2205 -19.6819 -19.6819 -7.0216 -7.0216 -7.0202 -7.0202 -6.5106 -6.5106 -5.1978 -5.1978 -5.1409 -5.1409 -4.9566 -4.9566 -4.9084 -4.9084 -4.5932 -4.5932 -4.4533 -4.4533 0.8002 0.8002 0.8575 0.8575 2.0561 2.0561 3.5570 3.5570 5.7984 5.7984 5.9862 5.9862 6.1431 6.1431 6.4998 6.4998 7.0305 7.0305 7.5221 7.5221 7.6653 7.6653 8.5621 8.5621 8.6835 8.6835 10.3784 10.3784 k = 0.0615-0.1825 1.4686 ( 6952 PWs) bands (ev): -20.2230 -20.2230 -20.2210 -20.2210 -19.6826 -19.6826 -7.0201 -7.0201 -7.0179 -7.0179 -6.5084 -6.5084 -5.1992 -5.1992 -5.1334 -5.1334 -4.9598 -4.9598 -4.9050 -4.9050 -4.5882 -4.5882 -4.4544 -4.4544 0.7812 0.7812 0.8258 0.8258 2.1107 2.1107 3.6027 3.6027 5.7868 5.7868 5.9933 5.9933 6.1417 6.1417 6.4922 6.4922 6.9987 6.9987 7.5658 7.5658 7.6804 7.6804 8.5615 8.5615 8.6735 8.6735 10.3634 10.3634 k = 0.0681-0.2022 1.4435 ( 6946 PWs) bands (ev): -20.2239 -20.2239 -20.2216 -20.2216 -19.6833 -19.6833 -7.0185 -7.0185 -7.0153 -7.0153 -6.5060 -6.5060 -5.2003 -5.2003 -5.1253 -5.1253 -4.9634 -4.9634 -4.9011 -4.9011 -4.5826 -4.5826 -4.4554 -4.4554 0.7601 0.7601 0.7923 0.7923 2.1704 2.1704 3.6544 3.6544 5.7761 5.7761 5.9960 5.9960 6.1399 6.1399 6.4884 6.4884 6.9664 6.9664 7.6115 7.6115 7.6952 7.6952 8.5625 8.5625 8.6609 8.6609 10.3472 10.3472 k = 0.0748-0.2218 1.4184 ( 6941 PWs) bands (ev): -20.2248 -20.2248 -20.2223 -20.2223 -19.6841 -19.6841 -7.0168 -7.0168 -7.0124 -7.0124 -6.5033 -6.5033 -5.2010 -5.2010 -5.1168 -5.1168 -4.9672 -4.9672 -4.8968 -4.8968 -4.5765 -4.5765 -4.4564 -4.4564 0.7373 0.7373 0.7578 0.7578 2.2345 2.2345 3.7116 3.7116 5.7665 5.7665 5.9925 5.9925 6.1376 6.1376 6.4901 6.4901 6.9338 6.9338 7.6584 7.6584 7.7094 7.7094 8.5651 8.5651 8.6463 8.6463 10.3291 10.3291 k = 0.0814-0.2415 1.3934 ( 6938 PWs) bands (ev): -20.2259 -20.2259 -20.2231 -20.2231 -19.6850 -19.6850 -7.0149 -7.0149 -7.0093 -7.0093 -6.5003 -6.5003 -5.2013 -5.2013 -5.1077 -5.1077 -4.9712 -4.9712 -4.8920 -4.8920 -4.5701 -4.5701 -4.4572 -4.4572 0.7130 0.7130 0.7229 0.7229 2.3021 2.3021 3.7740 3.7740 5.7582 5.7582 5.9818 5.9818 6.1347 6.1347 6.4987 6.4987 6.9011 6.9011 7.7017 7.7017 7.7270 7.7270 8.5692 8.5692 8.6303 8.6303 10.3083 10.3083 k = 0.0880-0.2612 1.3683 ( 6938 PWs) bands (ev): -20.2270 -20.2270 -20.2240 -20.2240 -19.6860 -19.6860 -7.0128 -7.0128 -7.0061 -7.0061 -6.4972 -6.4972 -5.2012 -5.2012 -5.0983 -5.0983 -4.9753 -4.9753 -4.8869 -4.8869 -4.5636 -4.5636 -4.4575 -4.4575 0.6855 0.6855 0.6900 0.6900 2.3728 2.3728 3.8413 3.8413 5.7512 5.7512 5.9638 5.9638 6.1311 6.1311 6.5146 6.5146 6.8686 6.8686 7.7209 7.7209 7.7671 7.7671 8.5735 8.5735 8.6153 8.6153 10.2847 10.2847 k = 0.0946-0.2808 1.3432 ( 6948 PWs) bands (ev): -20.2281 -20.2281 -20.2249 -20.2249 -19.6871 -19.6871 -7.0106 -7.0106 -7.0027 -7.0027 -6.4940 -6.4940 -5.2007 -5.2007 -5.0885 -5.0885 -4.9794 -4.9794 -4.8814 -4.8814 -4.5572 -4.5572 -4.4574 -4.4574 0.6518 0.6518 0.6628 0.6628 2.4459 2.4459 3.9129 3.9129 5.7454 5.7454 5.9392 5.9392 6.1267 6.1267 6.5375 6.5375 6.8364 6.8364 7.7262 7.7262 7.8186 7.8186 8.5736 8.5736 8.6071 8.6071 10.2583 10.2583 k = 0.1013-0.3005 1.3182 ( 6950 PWs) bands (ev): -20.2294 -20.2294 -20.2259 -20.2259 -19.6882 -19.6882 -7.0083 -7.0083 -6.9992 -6.9992 -6.4906 -6.4906 -5.1999 -5.1999 -5.0785 -5.0785 -4.9834 -4.9834 -4.8755 -4.8755 -4.5510 -4.5510 -4.4564 -4.4564 0.6175 0.6175 0.6361 0.6361 2.5209 2.5209 3.9885 3.9885 5.7403 5.7403 5.9097 5.9097 6.1213 6.1213 6.5665 6.5665 6.8049 6.8049 7.7249 7.7249 7.8725 7.8725 8.5648 8.5648 8.6117 8.6117 10.2299 10.2299 k = 0.1079-0.3201 1.2931 ( 6955 PWs) bands (ev): -20.2307 -20.2307 -20.2269 -20.2269 -19.6893 -19.6893 -7.0060 -7.0060 -6.9956 -6.9956 -6.4872 -6.4872 -5.1987 -5.1987 -5.0685 -5.0685 -4.9871 -4.9871 -4.8694 -4.8694 -4.5455 -4.5455 -4.4543 -4.4543 0.5838 0.5838 0.6092 0.6092 2.5975 2.5975 4.0677 4.0677 5.7349 5.7349 5.8774 5.8774 6.1148 6.1148 6.6005 6.6005 6.7745 6.7745 7.7169 7.7169 7.9277 7.9277 8.5536 8.5536 8.6243 8.6243 10.2002 10.2002 k = 0.1145-0.3398 1.2680 ( 6959 PWs) bands (ev): -20.2320 -20.2320 -20.2280 -20.2280 -19.6905 -19.6905 -7.0037 -7.0037 -6.9920 -6.9920 -6.4836 -6.4836 -5.1972 -5.1972 -5.0587 -5.0587 -4.9902 -4.9902 -4.8630 -4.8630 -4.5409 -4.5409 -4.4508 -4.4508 0.5510 0.5510 0.5823 0.5823 2.6752 2.6752 4.1500 4.1500 5.7268 5.7268 5.8462 5.8462 6.1070 6.1070 6.6379 6.6379 6.7462 6.7462 7.7015 7.7015 7.9837 7.9837 8.5449 8.5449 8.6415 8.6415 10.1702 10.1702 k = 0.1211-0.3594 1.2430 ( 6950 PWs) bands (ev): -20.2333 -20.2333 -20.2292 -20.2292 -19.6918 -19.6918 -7.0013 -7.0013 -6.9883 -6.9883 -6.4801 -6.4801 -5.1954 -5.1954 -5.0498 -5.0498 -4.9922 -4.9922 -4.8563 -4.8563 -4.5374 -4.5374 -4.4459 -4.4459 0.5192 0.5192 0.5554 0.5554 2.7535 2.7535 4.2350 4.2350 5.7113 5.7113 5.8217 5.8217 6.0980 6.0980 6.6735 6.6735 6.7247 6.7247 7.6782 7.6782 8.0397 8.0397 8.5410 8.5410 8.6624 8.6624 10.1406 10.1406 k = 0.1277-0.3791 1.2179 ( 6946 PWs) bands (ev): -20.2347 -20.2347 -20.2304 -20.2304 -19.6930 -19.6930 -6.9989 -6.9989 -6.9847 -6.9847 -6.4766 -6.4766 -5.1933 -5.1933 -5.0426 -5.0426 -4.9923 -4.9923 -4.8493 -4.8493 -4.5351 -4.5351 -4.4394 -4.4394 0.4885 0.4885 0.5289 0.5289 2.8321 2.8321 4.3221 4.3221 5.6840 5.6840 5.8095 5.8095 6.0877 6.0877 6.6775 6.6775 6.7393 6.7393 7.6471 7.6471 8.0952 8.0952 8.5428 8.5428 8.6871 8.6871 10.1120 10.1120 k = 0.1344-0.3988 1.1928 ( 6946 PWs) bands (ev): -20.2361 -20.2361 -20.2316 -20.2316 -19.6943 -19.6943 -6.9966 -6.9966 -6.9811 -6.9811 -6.4732 -6.4732 -5.1909 -5.1909 -5.0381 -5.0381 -4.9893 -4.9893 -4.8422 -4.8422 -4.5338 -4.5338 -4.4314 -4.4314 0.4591 0.4591 0.5028 0.5028 2.9104 2.9104 4.4108 4.4108 5.6466 5.6466 5.8087 5.8087 6.0761 6.0761 6.6574 6.6574 6.7822 6.7822 7.6087 7.6087 8.1494 8.1494 8.5504 8.5504 8.7159 8.7159 10.0850 10.0850 k = 0.1410-0.4184 1.1677 ( 6948 PWs) bands (ev): -20.2375 -20.2375 -20.2328 -20.2328 -19.6956 -19.6956 -6.9943 -6.9943 -6.9776 -6.9776 -6.4698 -6.4698 -5.1884 -5.1884 -5.0368 -5.0368 -4.9830 -4.9830 -4.8350 -4.8350 -4.5335 -4.5335 -4.4222 -4.4222 0.4308 0.4308 0.4774 0.4774 2.9882 2.9882 4.5006 4.5006 5.6034 5.6034 5.8157 5.8157 6.0637 6.0637 6.6362 6.6362 6.8301 6.8301 7.5640 7.5640 8.2013 8.2013 8.5637 8.5637 8.7491 8.7491 10.0598 10.0598 k = 0.1476-0.4381 1.1427 ( 6956 PWs) bands (ev): -20.2389 -20.2389 -20.2340 -20.2340 -19.6969 -19.6969 -6.9921 -6.9921 -6.9742 -6.9742 -6.4665 -6.4665 -5.1856 -5.1856 -5.0381 -5.0381 -4.9740 -4.9740 -4.8276 -4.8276 -4.5339 -4.5339 -4.4121 -4.4121 0.4039 0.4039 0.4526 0.4526 3.0648 3.0648 4.5905 4.5905 5.5574 5.5574 5.8280 5.8280 6.0507 6.0507 6.6168 6.6168 6.8798 6.8798 7.5142 7.5142 8.2500 8.2500 8.5822 8.5822 8.7874 8.7874 10.0364 10.0364 k = 0.1542-0.4577 1.1176 ( 6956 PWs) bands (ev): -20.2403 -20.2403 -20.2352 -20.2352 -19.6982 -19.6982 -6.9900 -6.9900 -6.9709 -6.9709 -6.4633 -6.4633 -5.1827 -5.1827 -5.0409 -5.0409 -4.9634 -4.9634 -4.8202 -4.8202 -4.5348 -4.5348 -4.4012 -4.4012 0.3783 0.3783 0.4287 0.4287 3.1399 3.1399 4.6799 4.6799 5.5104 5.5104 5.8446 5.8446 6.0378 6.0378 6.5999 6.5999 6.9302 6.9302 7.4607 7.4607 8.2946 8.2946 8.6051 8.6051 8.8311 8.8311 10.0147 10.0147 k = 0.1609-0.4774 1.0925 ( 6960 PWs) bands (ev): -20.2416 -20.2416 -20.2364 -20.2364 -19.6994 -19.6994 -6.9880 -6.9880 -6.9677 -6.9677 -6.4603 -6.4603 -5.1796 -5.1796 -5.0446 -5.0446 -4.9519 -4.9519 -4.8129 -4.8129 -4.5361 -4.5361 -4.3898 -4.3898 0.3541 0.3541 0.4057 0.4057 3.2130 3.2130 4.7677 4.7677 5.4633 5.4633 5.8648 5.8648 6.0259 6.0259 6.5859 6.5859 6.9804 6.9804 7.4049 7.4049 8.3343 8.3343 8.6319 8.6319 8.8806 8.8806 9.9944 9.9944 k = 0.1675-0.4970 1.0675 ( 6956 PWs) bands (ev): -20.2429 -20.2429 -20.2376 -20.2376 -19.7007 -19.7007 -6.9861 -6.9861 -6.9647 -6.9647 -6.4574 -6.4574 -5.1764 -5.1764 -5.0487 -5.0487 -4.9399 -4.9399 -4.8056 -4.8056 -4.5376 -4.5376 -4.3781 -4.3781 0.3313 0.3313 0.3838 0.3838 3.2837 3.2837 4.8528 4.8528 5.4169 5.4169 5.8881 5.8881 6.0162 6.0162 6.5749 6.5749 7.0297 7.0297 7.3484 7.3484 8.3688 8.3688 8.6620 8.6620 8.9358 8.9358 9.9751 9.9751 k = 0.1741-0.5167 1.0424 ( 6960 PWs) bands (ev): -20.2442 -20.2442 -20.2387 -20.2387 -19.7019 -19.7019 -6.9843 -6.9843 -6.9619 -6.9619 -6.4547 -6.4547 -5.1731 -5.1731 -5.0532 -5.0532 -4.9278 -4.9278 -4.7985 -4.7985 -4.5391 -4.5391 -4.3663 -4.3663 0.3099 0.3099 0.3630 0.3630 3.3514 3.3514 4.9338 4.9338 5.3716 5.3716 5.9136 5.9136 6.0105 6.0105 6.5671 6.5671 7.0762 7.0762 7.2934 7.2934 8.3978 8.3978 8.6947 8.6947 8.9964 8.9964 9.9561 9.9561 k = 0.1807-0.5364 1.0173 ( 6958 PWs) bands (ev): -20.2455 -20.2455 -20.2398 -20.2398 -19.7030 -19.7030 -6.9826 -6.9826 -6.9592 -6.9592 -6.4522 -6.4522 -5.1697 -5.1697 -5.0578 -5.0578 -4.9157 -4.9157 -4.7916 -4.7916 -4.5407 -4.5407 -4.3546 -4.3546 0.2900 0.2900 0.3433 0.3433 3.4158 3.4158 5.0092 5.0092 5.3280 5.3280 5.9392 5.9392 6.0116 6.0116 6.5629 6.5629 7.1151 7.1151 7.2454 7.2454 8.4217 8.4217 8.7298 8.7298 9.0617 9.0617 9.9365 9.9365 k = 0.1874-0.5560 0.9923 ( 6954 PWs) bands (ev): -20.2466 -20.2466 -20.2409 -20.2409 -19.7042 -19.7042 -6.9811 -6.9811 -6.9567 -6.9567 -6.4498 -6.4498 -5.1662 -5.1662 -5.0625 -5.0625 -4.9039 -4.9039 -4.7851 -4.7851 -4.5422 -4.5422 -4.3431 -4.3431 0.2715 0.2715 0.3249 0.3249 3.4764 3.4764 5.0772 5.0772 5.2864 5.2864 5.9612 5.9612 6.0242 6.0242 6.5625 6.5625 7.1262 7.1262 7.2249 7.2249 8.4408 8.4408 8.7666 8.7666 9.1307 9.1307 9.9157 9.9157 k = 0.1940-0.5757 0.9672 ( 6963 PWs) bands (ev): -20.2477 -20.2477 -20.2419 -20.2419 -19.7052 -19.7052 -6.9797 -6.9797 -6.9544 -6.9544 -6.4477 -6.4477 -5.1626 -5.1626 -5.0673 -5.0673 -4.8924 -4.8924 -4.7789 -4.7789 -4.5437 -4.5437 -4.3320 -4.3320 0.2545 0.2545 0.3078 0.3078 3.5330 3.5330 5.1361 5.1361 5.2476 5.2476 5.9782 5.9782 6.0500 6.0500 6.5663 6.5663 7.0944 7.0944 7.2471 7.2471 8.4559 8.4559 8.8049 8.8049 9.2025 9.2025 9.8928 9.8928 k = 0.2006-0.5953 0.9421 ( 6961 PWs) bands (ev): -20.2488 -20.2488 -20.2428 -20.2428 -19.7062 -19.7062 -6.9784 -6.9784 -6.9523 -6.9523 -6.4457 -6.4457 -5.1590 -5.1590 -5.0720 -5.0720 -4.8814 -4.8814 -4.7731 -4.7731 -4.5450 -4.5450 -4.3213 -4.3213 0.2389 0.2389 0.2920 0.2920 3.5851 3.5851 5.1813 5.1813 5.2152 5.2152 5.9942 5.9942 6.0850 6.0850 6.5745 6.5745 7.0492 7.0492 7.2829 7.2829 8.4673 8.4673 8.8442 8.8442 9.2756 9.2756 9.8672 9.8672 k = 0.2072-0.6150 0.9170 ( 6960 PWs) bands (ev): -20.2498 -20.2498 -20.2437 -20.2437 -19.7071 -19.7071 -6.9772 -6.9772 -6.9504 -6.9504 -6.4439 -6.4439 -5.1554 -5.1554 -5.0767 -5.0767 -4.8709 -4.8709 -4.7678 -4.7678 -4.5461 -4.5461 -4.3112 -4.3112 0.2248 0.2248 0.2777 0.2777 3.6326 3.6326 5.1716 5.1716 5.2304 5.2304 6.0123 6.0123 6.1246 6.1246 6.5875 6.5875 7.0033 7.0033 7.3197 7.3197 8.4758 8.4758 8.8841 8.8841 9.3486 9.3486 9.8388 9.8388 k = 0.2139-0.6346 0.8920 ( 6967 PWs) bands (ev): -20.2506 -20.2506 -20.2445 -20.2445 -19.7079 -19.7079 -6.9762 -6.9762 -6.9487 -6.9487 -6.4423 -6.4423 -5.1517 -5.1517 -5.0813 -5.0813 -4.8612 -4.8612 -4.7631 -4.7631 -4.5471 -4.5471 -4.3019 -4.3019 0.2122 0.2122 0.2647 0.2647 3.6752 3.6752 5.1420 5.1420 5.2588 5.2588 6.0328 6.0328 6.1664 6.1664 6.6054 6.6054 6.9599 6.9599 7.3544 7.3544 8.4818 8.4818 8.9240 8.9240 9.4193 9.4193 9.8070 9.8070 k = 0.2205-0.6543 0.8669 ( 6965 PWs) bands (ev): -20.2514 -20.2514 -20.2452 -20.2452 -19.7087 -19.7087 -6.9753 -6.9753 -6.9472 -6.9472 -6.4409 -6.4409 -5.1481 -5.1481 -5.0859 -5.0859 -4.8522 -4.8522 -4.7589 -4.7589 -4.5479 -4.5479 -4.2934 -4.2934 0.2010 0.2010 0.2532 0.2532 3.7128 3.7128 5.1145 5.1145 5.2798 5.2798 6.0545 6.0545 6.2089 6.2089 6.6279 6.6279 6.9200 6.9200 7.3860 7.3860 8.4859 8.4859 8.9630 8.9630 9.4846 9.4846 9.7673 9.7673 k = 0.2271-0.6740 0.8418 ( 6959 PWs) bands (ev): -20.2521 -20.2521 -20.2459 -20.2459 -19.7094 -19.7094 -6.9746 -6.9746 -6.9459 -6.9459 -6.4397 -6.4397 -5.1444 -5.1444 -5.0903 -5.0903 -4.8442 -4.8442 -4.7553 -4.7553 -4.5485 -4.5485 -4.2858 -4.2858 0.1914 0.1914 0.2432 0.2432 3.7454 3.7454 5.0901 5.0901 5.2939 5.2939 6.0756 6.0756 6.2506 6.2506 6.6542 6.6542 6.8843 6.8843 7.4141 7.4141 8.4885 8.4885 9.0000 9.0000 9.5399 9.5399 9.6957 9.6957 k = 0.2337-0.6936 0.8168 ( 6969 PWs) bands (ev): -20.2527 -20.2527 -20.2464 -20.2464 -19.7099 -19.7099 -6.9740 -6.9740 -6.9448 -6.9448 -6.4387 -6.4387 -5.1408 -5.1408 -5.0946 -5.0946 -4.8372 -4.8372 -4.7524 -4.7524 -4.5490 -4.5490 -4.2793 -4.2793 0.1832 0.1832 0.2347 0.2347 3.7728 3.7728 5.0692 5.0692 5.3029 5.3029 6.0945 6.0945 6.2898 6.2898 6.6826 6.6826 6.8533 6.8533 7.4382 7.4382 8.4900 8.4900 9.0336 9.0336 9.5781 9.5781 9.6173 9.6173 k = 0.2404-0.7133 0.7917 ( 6971 PWs) bands (ev): -20.2532 -20.2532 -20.2469 -20.2469 -19.7104 -19.7104 -6.9734 -6.9734 -6.9439 -6.9439 -6.4379 -6.4379 -5.1372 -5.1372 -5.0987 -5.0987 -4.8313 -4.8313 -4.7500 -4.7500 -4.5493 -4.5493 -4.2738 -4.2738 0.1765 0.1765 0.2277 0.2277 3.7952 3.7952 5.0520 5.0520 5.3081 5.3081 6.1104 6.1104 6.3252 6.3252 6.7109 6.7109 6.8272 6.8272 7.4581 7.4581 8.4907 8.4907 9.0620 9.0620 9.5518 9.5518 9.5947 9.5947 k = 0.2470-0.7329 0.7666 ( 6977 PWs) bands (ev): -20.2536 -20.2536 -20.2472 -20.2472 -19.7108 -19.7108 -6.9730 -6.9730 -6.9432 -6.9432 -6.4372 -6.4372 -5.1339 -5.1339 -5.1026 -5.1026 -4.8266 -4.8266 -4.7482 -4.7482 -4.5496 -4.5496 -4.2695 -4.2695 0.1713 0.1713 0.2222 0.2222 3.8126 3.8126 5.0384 5.0384 5.3110 5.3110 6.1227 6.1227 6.3550 6.3550 6.7367 6.7367 6.8065 6.8065 7.4737 7.4737 8.4909 8.4909 9.0833 9.0833 9.5045 9.5045 9.5904 9.5904 k = 0.2536-0.7526 0.7416 ( 6970 PWs) bands (ev): -20.2539 -20.2539 -20.2475 -20.2475 -19.7110 -19.7110 -6.9728 -6.9728 -6.9427 -6.9427 -6.4368 -6.4368 -5.1308 -5.1308 -5.1059 -5.1059 -4.8232 -4.8232 -4.7469 -4.7469 -4.5498 -4.5498 -4.2663 -4.2663 0.1676 0.1676 0.2184 0.2184 3.8250 3.8250 5.0287 5.0287 5.3123 5.3123 6.1314 6.1314 6.3777 6.3777 6.7573 6.7573 6.7913 6.7913 7.4849 7.4849 8.4909 8.4909 9.0968 9.0968 9.4753 9.4753 9.5769 9.5769 k = 0.2602-0.7722 0.7165 ( 6970 PWs) bands (ev): -20.2541 -20.2541 -20.2476 -20.2476 -19.7112 -19.7112 -6.9726 -6.9726 -6.9424 -6.9424 -6.4365 -6.4365 -5.1285 -5.1285 -5.1084 -5.1084 -4.8211 -4.8211 -4.7461 -4.7461 -4.5498 -4.5498 -4.2645 -4.2645 0.1653 0.1653 0.2160 0.2160 3.8323 3.8323 5.0229 5.0229 5.3128 5.3128 6.1366 6.1366 6.3920 6.3920 6.7706 6.7706 6.7821 6.7821 7.4916 7.4916 8.4908 8.4908 9.1034 9.1034 9.4611 9.4611 9.5647 9.5647 k = 0.2669-0.7919 0.6914 ( 6966 PWs) bands (ev): -20.2541 -20.2541 -20.2477 -20.2477 -19.7112 -19.7112 -6.9725 -6.9725 -6.9423 -6.9423 -6.4364 -6.4364 -5.1276 -5.1276 -5.1094 -5.1094 -4.8204 -4.8204 -4.7459 -4.7459 -4.5499 -4.5499 -4.2638 -4.2638 0.1646 0.1646 0.2152 0.2152 3.8348 3.8348 5.0209 5.0209 5.3130 5.3130 6.1383 6.1383 6.3969 6.3969 6.7753 6.7753 6.7790 6.7790 7.4939 7.4939 8.4907 8.4907 9.1052 9.1052 9.4572 9.4572 9.5599 9.5599 k = 0.7331-0.5234 0.6041 ( 6966 PWs) bands (ev): -20.2541 -20.2541 -20.2477 -20.2477 -19.7112 -19.7112 -6.9725 -6.9725 -6.9423 -6.9423 -6.4364 -6.4364 -5.1276 -5.1276 -5.1094 -5.1094 -4.8204 -4.8204 -4.7459 -4.7459 -4.5499 -4.5499 -4.2638 -4.2638 0.1646 0.1646 0.2152 0.2152 3.8348 3.8348 5.0209 5.0209 5.3130 5.3130 6.1383 6.1383 6.3969 6.3969 6.7753 6.7753 6.7790 6.7790 7.4939 7.4939 8.4907 8.4907 9.1052 9.1052 9.4572 9.4572 9.5599 9.5599 k = 0.7251-0.4995 0.5833 ( 6964 PWs) bands (ev): -20.2559 -20.2559 -20.2460 -20.2460 -19.7113 -19.7113 -6.9767 -6.9767 -6.9369 -6.9369 -6.4360 -6.4360 -5.1316 -5.1316 -5.1034 -5.1034 -4.8229 -4.8229 -4.7422 -4.7422 -4.5494 -4.5494 -4.2644 -4.2644 0.1577 0.1577 0.2123 0.2123 3.8183 3.8183 5.0531 5.0531 5.2714 5.2714 6.1854 6.1854 6.4054 6.4054 6.7722 6.7722 6.8006 6.8006 7.4779 7.4779 8.5093 8.5093 9.0451 9.0451 9.4136 9.4136 9.5852 9.5852 k = 0.7171-0.4757 0.5624 ( 6966 PWs) bands (ev): -20.2577 -20.2577 -20.2444 -20.2444 -19.7114 -19.7114 -6.9806 -6.9806 -6.9313 -6.9313 -6.4353 -6.4353 -5.1354 -5.1354 -5.0968 -5.0968 -4.8253 -4.8253 -4.7387 -4.7387 -4.5484 -4.5484 -4.2651 -4.2651 0.1476 0.1476 0.2086 0.2086 3.7972 3.7972 5.0898 5.0898 5.2328 5.2328 6.2329 6.2329 6.4159 6.4159 6.7703 6.7703 6.8296 6.8296 7.4609 7.4609 8.5250 8.5250 8.9854 8.9854 9.3628 9.3628 9.6086 9.6086 k = 0.7090-0.4518 0.5416 ( 6974 PWs) bands (ev): -20.2595 -20.2595 -20.2427 -20.2427 -19.7114 -19.7114 -6.9842 -6.9842 -6.9255 -6.9255 -6.4344 -6.4344 -5.1389 -5.1389 -5.0899 -5.0899 -4.8275 -4.8275 -4.7355 -4.7355 -4.5468 -4.5468 -4.2658 -4.2658 0.1346 0.1346 0.2042 0.2042 3.7717 3.7717 5.1285 5.1285 5.2001 5.2001 6.2801 6.2801 6.4282 6.4282 6.7695 6.7695 6.8652 6.8652 7.4430 7.4430 8.5382 8.5382 8.9264 8.9264 9.3062 9.3062 9.6319 9.6319 k = 0.7010-0.4280 0.5208 ( 6972 PWs) bands (ev): -20.2612 -20.2612 -20.2412 -20.2412 -19.7115 -19.7115 -6.9877 -6.9877 -6.9195 -6.9195 -6.4332 -6.4332 -5.1421 -5.1421 -5.0827 -5.0827 -4.8295 -4.8295 -4.7324 -4.7324 -4.5446 -4.5446 -4.2665 -4.2665 0.1189 0.1189 0.1990 0.1990 3.7426 3.7426 5.1456 5.1456 5.1970 5.1970 6.3262 6.3262 6.4424 6.4424 6.7698 6.7698 6.9068 6.9068 7.4246 7.4246 8.5491 8.5491 8.8685 8.8685 9.2453 9.2453 9.6551 9.6551 k = 0.6929-0.4041 0.4999 ( 6972 PWs) bands (ev): -20.2630 -20.2630 -20.2396 -20.2396 -19.7116 -19.7116 -6.9908 -6.9908 -6.9135 -6.9135 -6.4320 -6.4320 -5.1449 -5.1449 -5.0753 -5.0753 -4.8312 -4.8312 -4.7296 -4.7296 -4.5420 -4.5420 -4.2673 -4.2673 0.1007 0.1007 0.1929 0.1929 3.7103 3.7103 5.1242 5.1242 5.2403 5.2403 6.3704 6.3704 6.4584 6.4584 6.7712 6.7712 6.9531 6.9531 7.4061 7.4061 8.5583 8.5583 8.8119 8.8119 9.1819 9.1819 9.6725 9.6725 k = 0.6849-0.3802 0.4791 ( 6968 PWs) bands (ev): -20.2647 -20.2647 -20.2381 -20.2381 -19.7118 -19.7118 -6.9938 -6.9938 -6.9073 -6.9073 -6.4305 -6.4305 -5.1473 -5.1473 -5.0678 -5.0678 -4.8327 -4.8327 -4.7271 -4.7271 -4.5388 -4.5388 -4.2681 -4.2681 0.0803 0.0803 0.1860 0.1860 3.6754 3.6754 5.0999 5.0999 5.2943 5.2943 6.4121 6.4121 6.4762 6.4762 6.7736 6.7736 7.0031 7.0031 7.3879 7.3879 8.5661 8.5661 8.7567 8.7567 9.1174 9.1174 9.6726 9.6726 k = 0.6769-0.3564 0.4583 ( 6972 PWs) bands (ev): -20.2664 -20.2664 -20.2367 -20.2367 -19.7119 -19.7119 -6.9965 -6.9965 -6.9011 -6.9011 -6.4289 -6.4289 -5.1493 -5.1493 -5.0601 -5.0601 -4.8339 -4.8339 -4.7248 -4.7248 -4.5352 -4.5352 -4.2688 -4.2688 0.0579 0.0579 0.1782 0.1782 3.6384 3.6384 5.0787 5.0787 5.3530 5.3530 6.4500 6.4500 6.4962 6.4962 6.7771 6.7771 7.0549 7.0549 7.3709 7.3709 8.5730 8.5730 8.7030 8.7030 9.0534 9.0534 9.6549 9.6549 k = 0.6688-0.3325 0.4374 ( 6976 PWs) bands (ev): -20.2681 -20.2681 -20.2353 -20.2353 -19.7121 -19.7121 -6.9989 -6.9989 -6.8948 -6.8948 -6.4271 -6.4271 -5.1510 -5.1510 -5.0524 -5.0524 -4.8349 -4.8349 -4.7227 -4.7227 -4.5312 -4.5312 -4.2696 -4.2696 0.0339 0.0339 0.1696 0.1696 3.5999 3.5999 5.0614 5.0614 5.4154 5.4154 6.4833 6.4833 6.5187 6.5187 6.7815 6.7815 7.1061 7.1061 7.3565 7.3565 8.5791 8.5791 8.6512 8.6512 8.9914 8.9914 9.6241 9.6241 k = 0.6608-0.3087 0.4166 ( 6960 PWs) bands (ev): -20.2698 -20.2698 -20.2339 -20.2339 -19.7122 -19.7122 -7.0012 -7.0012 -6.8886 -6.8886 -6.4252 -6.4252 -5.1524 -5.1524 -5.0447 -5.0447 -4.8355 -4.8355 -4.7208 -4.7208 -4.5268 -4.5268 -4.2704 -4.2704 0.0085 0.0085 0.1602 0.1602 3.5602 3.5602 5.0483 5.0483 5.4809 5.4809 6.5113 6.5113 6.5432 6.5432 6.7868 6.7868 7.1525 7.1525 7.3480 7.3480 8.5831 8.5831 8.6028 8.6028 8.9330 8.9330 9.5846 9.5846 k = 0.6528-0.2848 0.3958 ( 6956 PWs) bands (ev): -20.2714 -20.2714 -20.2326 -20.2326 -19.7124 -19.7124 -7.0032 -7.0032 -6.8824 -6.8824 -6.4233 -6.4233 -5.1535 -5.1535 -5.0371 -5.0371 -4.8359 -4.8359 -4.7191 -4.7191 -4.5221 -4.5221 -4.2711 -4.2711 -0.0179 -0.0179 0.1500 0.1500 3.5200 3.5200 5.0395 5.0395 5.5490 5.5490 6.5352 6.5352 6.5681 6.5681 6.7930 6.7930 7.1868 7.1868 7.3512 7.3512 8.5499 8.5499 8.5932 8.5932 8.8798 8.8798 9.5399 9.5399 k = 0.6447-0.2609 0.3749 ( 6958 PWs) bands (ev): -20.2729 -20.2729 -20.2314 -20.2314 -19.7126 -19.7126 -7.0051 -7.0051 -6.8762 -6.8762 -6.4212 -6.4212 -5.1543 -5.1543 -5.0295 -5.0295 -4.8360 -4.8360 -4.7175 -4.7175 -4.5172 -4.5172 -4.2718 -4.2718 -0.0452 -0.0452 0.1391 0.1391 3.4796 3.4796 5.0352 5.0352 5.6194 5.6194 6.5559 6.5559 6.5917 6.5917 6.7998 6.7998 7.2021 7.2021 7.3716 7.3716 8.5028 8.5028 8.5988 8.5988 8.8337 8.8337 9.4923 9.4923 k = 0.6367-0.2371 0.3541 ( 6968 PWs) bands (ev): -20.2745 -20.2745 -20.2302 -20.2302 -19.7128 -19.7128 -7.0067 -7.0067 -6.8701 -6.8701 -6.4191 -6.4191 -5.1549 -5.1549 -5.0220 -5.0220 -4.8359 -4.8359 -4.7159 -4.7159 -4.5121 -4.5121 -4.2724 -4.2724 -0.0729 -0.0729 0.1276 0.1276 3.4394 3.4394 5.0354 5.0354 5.6917 5.6917 6.5731 6.5731 6.6136 6.6136 6.8072 6.8072 7.2006 7.2006 7.4055 7.4055 8.4561 8.4561 8.6049 8.6049 8.7968 8.7968 9.4435 9.4435 k = 0.6286-0.2132 0.3333 ( 6960 PWs) bands (ev): -20.2759 -20.2759 -20.2291 -20.2291 -19.7130 -19.7130 -7.0082 -7.0082 -6.8642 -6.8642 -6.4170 -6.4170 -5.1553 -5.1553 -5.0146 -5.0146 -4.8357 -4.8357 -4.7144 -4.7144 -4.5069 -4.5069 -4.2730 -4.2730 -0.1008 -0.1008 0.1156 0.1156 3.3998 3.3998 5.0398 5.0398 5.7656 5.7656 6.5855 6.5855 6.6348 6.6348 6.8152 6.8152 7.1900 7.1900 7.4434 7.4434 8.4095 8.4095 8.6108 8.6108 8.7711 8.7711 9.3948 9.3948 k = 0.6206-0.1894 0.3125 ( 6962 PWs) bands (ev): -20.2773 -20.2773 -20.2281 -20.2281 -19.7132 -19.7132 -7.0095 -7.0095 -6.8585 -6.8585 -6.4149 -6.4149 -5.1555 -5.1555 -5.0074 -5.0074 -4.8356 -4.8356 -4.7128 -4.7128 -4.5016 -4.5016 -4.2734 -4.2734 -0.1286 -0.1286 0.1032 0.1032 3.3611 3.3611 5.0486 5.0486 5.8406 5.8406 6.5916 6.5916 6.6563 6.6563 6.8235 6.8235 7.1753 7.1753 7.4790 7.4790 8.3628 8.3628 8.6163 8.6163 8.7587 8.7587 9.3475 9.3475 k = 0.6126-0.1655 0.2916 ( 6966 PWs) bands (ev): -20.2786 -20.2786 -20.2271 -20.2271 -19.7133 -19.7133 -7.0106 -7.0106 -6.8529 -6.8529 -6.4127 -6.4127 -5.1556 -5.1556 -5.0003 -5.0003 -4.8354 -4.8354 -4.7111 -4.7111 -4.4964 -4.4964 -4.2737 -4.2737 -0.1561 -0.1561 0.0906 0.0906 3.3236 3.3236 5.0614 5.0614 5.9163 5.9163 6.5910 6.5910 6.6783 6.6783 6.8320 6.8320 7.1589 7.1589 7.5088 7.5088 8.3155 8.3155 8.6207 8.6207 8.7607 8.7607 9.3025 9.3025 k = 0.6045-0.1417 0.2708 ( 6968 PWs) bands (ev): -20.2799 -20.2799 -20.2261 -20.2261 -19.7135 -19.7135 -7.0116 -7.0116 -6.8475 -6.8475 -6.4107 -6.4107 -5.1556 -5.1556 -4.9933 -4.9933 -4.8355 -4.8355 -4.7093 -4.7093 -4.4914 -4.4914 -4.2739 -4.2739 -0.1829 -0.1829 0.0778 0.0778 3.2876 3.2876 5.0780 5.0780 5.9924 5.9924 6.5839 6.5839 6.7005 6.7005 6.8407 6.8407 7.1419 7.1419 7.5309 7.5309 8.2678 8.2678 8.6235 8.6235 8.7776 8.7776 9.2607 9.2607 k = 0.5965-0.1178 0.2500 ( 6976 PWs) bands (ev): -20.2811 -20.2811 -20.2253 -20.2253 -19.7137 -19.7137 -7.0125 -7.0125 -6.8425 -6.8425 -6.4086 -6.4086 -5.1555 -5.1555 -4.9864 -4.9864 -4.8359 -4.8359 -4.7072 -4.7072 -4.4865 -4.4865 -4.2740 -4.2740 -0.2089 -0.2089 0.0651 0.0651 3.2533 3.2533 5.0983 5.0983 6.0684 6.0684 6.5708 6.5708 6.7227 6.7227 6.8493 6.8493 7.1250 7.1250 7.5450 7.5450 8.2198 8.2198 8.6240 8.6240 8.8086 8.8086 9.2228 9.2228 k = 0.5884-0.0939 0.2291 ( 6962 PWs) bands (ev): -20.2822 -20.2822 -20.2245 -20.2245 -19.7139 -19.7139 -7.0133 -7.0133 -6.8377 -6.8377 -6.4067 -6.4067 -5.1554 -5.1554 -4.9796 -4.9796 -4.8366 -4.8366 -4.7050 -4.7050 -4.4819 -4.4819 -4.2740 -4.2740 -0.2338 -0.2338 0.0526 0.0526 3.2210 3.2210 5.1217 5.1217 6.1438 6.1438 6.5523 6.5523 6.7443 6.7443 6.8579 6.8579 7.1084 7.1084 7.5514 7.5514 8.1721 8.1721 8.6219 8.6219 8.8522 8.8522 9.1894 9.1894 k = 0.5804-0.0701 0.2083 ( 6960 PWs) bands (ev): -20.2832 -20.2832 -20.2238 -20.2238 -19.7141 -19.7141 -7.0139 -7.0139 -6.8332 -6.8332 -6.4048 -6.4048 -5.1553 -5.1553 -4.9729 -4.9729 -4.8377 -4.8377 -4.7025 -4.7025 -4.4776 -4.4776 -4.2739 -4.2739 -0.2574 -0.2574 0.0405 0.0405 3.1908 3.1908 5.1479 5.1479 6.2181 6.2181 6.5291 6.5291 6.7651 6.7651 6.8661 6.8661 7.0926 7.0926 7.5511 7.5511 8.1251 8.1251 8.6169 8.6169 8.9064 8.9064 9.1608 9.1608 k = 0.5724-0.0462 0.1875 ( 6960 PWs) bands (ev): -20.2842 -20.2842 -20.2231 -20.2231 -19.7142 -19.7142 -7.0145 -7.0145 -6.8290 -6.8290 -6.4031 -6.4031 -5.1551 -5.1551 -4.9663 -4.9663 -4.8393 -4.8393 -4.7000 -4.7000 -4.4736 -4.4736 -4.2736 -4.2736 -0.2794 -0.2794 0.0289 0.0289 3.1630 3.1630 5.1763 5.1763 6.2907 6.2907 6.5021 6.5021 6.7849 6.7849 6.8740 6.8740 7.0776 7.0776 7.5452 7.5452 8.0794 8.0794 8.6094 8.6094 8.9685 8.9685 9.1370 9.1370 k = 0.5643-0.0224 0.1666 ( 6954 PWs) bands (ev): -20.2850 -20.2850 -20.2225 -20.2225 -19.7144 -19.7144 -7.0150 -7.0150 -6.8253 -6.8253 -6.4015 -6.4015 -5.1550 -5.1550 -4.9599 -4.9599 -4.8414 -4.8414 -4.6973 -4.6973 -4.4700 -4.4700 -4.2733 -4.2733 -0.2996 -0.2996 0.0181 0.0181 3.1377 3.1377 5.2063 5.2063 6.3607 6.3607 6.4725 6.4725 6.8033 6.8033 6.8814 6.8814 7.0638 7.0638 7.5349 7.5349 8.0357 8.0357 8.5997 8.5997 9.0358 9.0358 9.1175 9.1175 k = 0.5563 0.0015 0.1458 ( 6958 PWs) bands (ev): -20.2858 -20.2858 -20.2220 -20.2220 -19.7145 -19.7145 -7.0154 -7.0154 -6.8219 -6.8219 -6.4001 -6.4001 -5.1548 -5.1548 -4.9536 -4.9536 -4.8438 -4.8438 -4.6946 -4.6946 -4.4669 -4.4669 -4.2729 -4.2729 -0.3179 -0.3179 0.0080 0.0080 3.1150 3.1150 5.2371 5.2371 6.4231 6.4231 6.4457 6.4457 6.8202 6.8202 6.8881 6.8881 7.0512 7.0512 7.5214 7.5214 7.9946 7.9946 8.5886 8.5886 9.1005 9.1005 9.1072 9.1072 k = 0.5482 0.0253 0.1250 ( 6952 PWs) bands (ev): -20.2865 -20.2865 -20.2215 -20.2215 -19.7146 -19.7146 -7.0157 -7.0157 -6.8189 -6.8189 -6.3988 -6.3988 -5.1547 -5.1547 -4.9476 -4.9476 -4.8466 -4.8466 -4.6920 -4.6920 -4.4641 -4.4641 -4.2724 -4.2724 -0.3342 -0.3342 -0.0010 -0.0010 3.0951 3.0951 5.2678 5.2678 6.4064 6.4064 6.4933 6.4933 6.8353 6.8353 6.8942 6.8942 7.0399 7.0399 7.5057 7.5057 7.9569 7.9569 8.5770 8.5770 9.0895 9.0895 9.1757 9.1757 k = 0.5402 0.0492 0.1042 ( 6944 PWs) bands (ev): -20.2870 -20.2870 -20.2211 -20.2211 -19.7147 -19.7147 -7.0160 -7.0160 -6.8164 -6.8164 -6.3977 -6.3977 -5.1546 -5.1546 -4.9419 -4.9419 -4.8496 -4.8496 -4.6896 -4.6896 -4.4618 -4.4618 -4.2720 -4.2720 -0.3481 -0.3481 -0.0088 -0.0088 3.0781 3.0781 5.2973 5.2973 6.3755 6.3755 6.5508 6.5508 6.8484 6.8484 6.8995 6.8995 7.0302 7.0302 7.4888 7.4888 7.9235 7.9235 8.5657 8.5657 9.0801 9.0801 9.2422 9.2422 k = 0.5322 0.0731 0.0833 ( 6950 PWs) bands (ev): -20.2875 -20.2875 -20.2208 -20.2208 -19.7148 -19.7148 -7.0162 -7.0162 -6.8143 -6.8143 -6.3968 -6.3968 -5.1545 -5.1545 -4.9367 -4.9367 -4.8526 -4.8526 -4.6875 -4.6875 -4.4599 -4.4599 -4.2715 -4.2715 -0.3598 -0.3598 -0.0154 -0.0154 3.0640 3.0640 5.3243 5.3243 6.3466 6.3466 6.6020 6.6020 6.8594 6.8594 6.9040 6.9040 7.0221 7.0221 7.4718 7.4718 7.8949 7.8949 8.5554 8.5554 9.0729 9.0729 9.3025 9.3025 k = 0.5241 0.0969 0.0625 ( 6962 PWs) bands (ev): -20.2879 -20.2879 -20.2206 -20.2206 -19.7148 -19.7148 -7.0164 -7.0164 -6.8126 -6.8126 -6.3960 -6.3960 -5.1545 -5.1545 -4.9322 -4.9322 -4.8554 -4.8554 -4.6858 -4.6858 -4.4585 -4.4585 -4.2712 -4.2712 -0.3689 -0.3689 -0.0207 -0.0207 3.0530 3.0530 5.3475 5.3475 6.3217 6.3217 6.6449 6.6449 6.8681 6.8681 6.9075 6.9075 7.0157 7.0157 7.4559 7.4559 7.8720 7.8720 8.5468 8.5468 9.0677 9.0677 9.3537 9.3537 k = 0.5161 0.1208 0.0417 ( 6968 PWs) bands (ev): -20.2881 -20.2881 -20.2204 -20.2204 -19.7149 -19.7149 -7.0165 -7.0165 -6.8114 -6.8114 -6.3955 -6.3955 -5.1544 -5.1544 -4.9287 -4.9287 -4.8578 -4.8578 -4.6845 -4.6845 -4.4575 -4.4575 -4.2709 -4.2709 -0.3755 -0.3755 -0.0245 -0.0245 3.0451 3.0451 5.3654 5.3654 6.3023 6.3023 6.6776 6.6776 6.8744 6.8744 6.9100 6.9100 7.0111 7.0111 7.4429 7.4429 7.8553 7.8553 8.5403 8.5403 9.0642 9.0642 9.3929 9.3929 k = 0.5080 0.1446 0.0208 ( 6964 PWs) bands (ev): -20.2883 -20.2883 -20.2203 -20.2203 -19.7149 -19.7149 -7.0166 -7.0166 -6.8107 -6.8107 -6.3952 -6.3952 -5.1544 -5.1544 -4.9264 -4.9264 -4.8593 -4.8593 -4.6837 -4.6837 -4.4569 -4.4569 -4.2707 -4.2707 -0.3795 -0.3795 -0.0268 -0.0268 3.0404 3.0404 5.3768 5.3768 6.2901 6.2901 6.6982 6.6982 6.8782 6.8782 6.9116 6.9116 7.0083 7.0083 7.4342 7.4342 7.8451 7.8451 8.5363 8.5363 9.0621 9.0621 9.4174 9.4175 k = 0.5000 0.1685-0.0000 ( 6966 PWs) bands (ev): -20.2883 -20.2883 -20.2203 -20.2203 -19.7149 -19.7149 -7.0166 -7.0166 -6.8105 -6.8105 -6.3951 -6.3951 -5.1544 -5.1544 -4.9256 -4.9256 -4.8599 -4.8599 -4.6834 -4.6834 -4.4567 -4.4567 -4.2706 -4.2706 -0.3808 -0.3808 -0.0276 -0.0276 3.0388 3.0388 5.3807 5.3807 6.2858 6.2858 6.7053 6.7053 6.8795 6.8795 6.9121 6.9121 7.0074 7.0074 7.4311 7.4311 7.8417 7.8417 8.5350 8.5350 9.0615 9.0615 9.4258 9.4258 Writing output data file Ba3xAlSix2.save init_run : 0.62s CPU 0.82s WALL ( 1 calls) electrons : 677.87s CPU 681.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 677.87s CPU 681.85s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.16s WALL ( 332 calls) cegterg : 619.13s CPU 621.78s WALL ( 591 calls) Called by sum_band: Called by *egterg: h_psi : 556.73s CPU 558.91s WALL ( 10203 calls) s_psi : 15.58s CPU 15.36s WALL ( 10203 calls) g_psi : 0.52s CPU 0.47s WALL ( 9280 calls) cdiaghg : 65.63s CPU 66.39s WALL ( 9612 calls) cegterg:over : 11.07s CPU 11.12s WALL ( 9280 calls) cegterg:upda : 10.94s CPU 11.14s WALL ( 9280 calls) cegterg:last : 5.43s CPU 5.43s WALL ( 1586 calls) cdiaghg:chol : 3.80s CPU 3.84s WALL ( 9612 calls) cdiaghg:inve : 2.41s CPU 2.43s WALL ( 9612 calls) cdiaghg:para : 3.90s CPU 4.03s WALL ( 19224 calls) Called by h_psi: h_psi:vloc : 525.93s CPU 527.95s WALL ( 10203 calls) h_psi:vnl : 30.30s CPU 30.48s WALL ( 10203 calls) add_vuspsi : 16.24s CPU 16.45s WALL ( 10203 calls) General routines calbec : 14.00s CPU 14.00s WALL ( 10203 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 497.86s CPU 499.58s WALL ( 937716 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.96s WALL ( 664 calls) Parallel routines fft_scatter : 93.60s CPU 93.19s WALL ( 937739 calls) PWSCF : 11m41.80s CPU 12m 8.38s WALL This run was terminated on: 19:40: 8 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=