Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:12:52 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: ./C.save/ 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 33 16 5 727 255 42 Max 34 17 6 730 269 45 Sum 1199 607 181 26227 9405 1601 bravais-lattice index = 14 lattice parameter (alat) = 7.0044 a.u. unit-cell volume = 264.5439 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 1 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.004437 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential C 4.00 12.01070 C( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 349 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0067568 -0.0047778 0.0082753), wk = 0.0028653 k( 3) = ( 0.0135135 -0.0095555 0.0165506), wk = 0.0028653 k( 4) = ( 0.0202703 -0.0143332 0.0248259), wk = 0.0028653 k( 5) = ( 0.0270270 -0.0191110 0.0331012), wk = 0.0028653 k( 6) = ( 0.0337838 -0.0238887 0.0413765), wk = 0.0028653 k( 7) = ( 0.0405405 -0.0286665 0.0496518), wk = 0.0028653 k( 8) = ( 0.0472973 -0.0334442 0.0579271), wk = 0.0028653 k( 9) = ( 0.0540540 -0.0382220 0.0662024), wk = 0.0028653 k( 10) = ( 0.0608108 -0.0429997 0.0744777), wk = 0.0028653 k( 11) = ( 0.0675676 -0.0477775 0.0827530), wk = 0.0028653 k( 12) = ( 0.0743243 -0.0525552 0.0910283), wk = 0.0028653 k( 13) = ( 0.0810811 -0.0573330 0.0993036), wk = 0.0028653 k( 14) = ( 0.0878378 -0.0621107 0.1075789), wk = 0.0028653 k( 15) = ( 0.0945946 -0.0668885 0.1158542), wk = 0.0028653 k( 16) = ( 0.1013514 -0.0716662 0.1241295), wk = 0.0028653 k( 17) = ( 0.1081081 -0.0764440 0.1324049), wk = 0.0028653 k( 18) = ( 0.1148649 -0.0812217 0.1406801), wk = 0.0028653 k( 19) = ( 0.1216216 -0.0859995 0.1489555), wk = 0.0028653 k( 20) = ( 0.1283784 -0.0907772 0.1572308), wk = 0.0028653 k( 21) = ( 0.1351351 -0.0955550 0.1655061), wk = 0.0028653 k( 22) = ( 0.1418919 -0.1003327 0.1737814), wk = 0.0028653 k( 23) = ( 0.1486486 -0.1051105 0.1820567), wk = 0.0028653 k( 24) = ( 0.1554054 -0.1098882 0.1903320), wk = 0.0028653 k( 25) = ( 0.1621622 -0.1146660 0.1986073), wk = 0.0028653 k( 26) = ( 0.1689189 -0.1194437 0.2068826), wk = 0.0028653 k( 27) = ( 0.1756757 -0.1242215 0.2151579), wk = 0.0028653 k( 28) = ( 0.1824324 -0.1289992 0.2234332), wk = 0.0028653 k( 29) = ( 0.1891892 -0.1337770 0.2317085), wk = 0.0028653 k( 30) = ( 0.1959460 -0.1385547 0.2399838), wk = 0.0028653 k( 31) = ( 0.2027027 -0.1433325 0.2482591), wk = 0.0028653 k( 32) = ( 0.2094595 -0.1481102 0.2565344), wk = 0.0028653 k( 33) = ( 0.2162162 -0.1528880 0.2648097), wk = 0.0028653 k( 34) = ( 0.2229730 -0.1576657 0.2730850), wk = 0.0028653 k( 35) = ( 0.2297297 -0.1624434 0.2813603), wk = 0.0028653 k( 36) = ( 0.2364865 -0.1672212 0.2896356), wk = 0.0028653 k( 37) = ( 0.2432432 -0.1719989 0.2979109), wk = 0.0028653 k( 38) = ( 0.2500000 -0.1767767 0.3061862), wk = 0.0028653 k( 39) = ( 0.2567568 -0.1815544 0.3144615), wk = 0.0028653 k( 40) = ( 0.2635135 -0.1863322 0.3227368), wk = 0.0028653 k( 41) = ( 0.2702703 -0.1911099 0.3310121), wk = 0.0028653 k( 42) = ( 0.2770270 -0.1958877 0.3392874), wk = 0.0028653 k( 43) = ( 0.2837838 -0.2006654 0.3475627), wk = 0.0028653 k( 44) = ( 0.2905405 -0.2054432 0.3558380), wk = 0.0028653 k( 45) = ( 0.2972973 -0.2102209 0.3641133), wk = 0.0028653 k( 46) = ( 0.3040541 -0.2149987 0.3723886), wk = 0.0028653 k( 47) = ( 0.3108108 -0.2197764 0.3806639), wk = 0.0028653 k( 48) = ( 0.3175676 -0.2245542 0.3889393), wk = 0.0028653 k( 49) = ( 0.3243243 -0.2293319 0.3972145), wk = 0.0028653 k( 50) = ( 0.3310811 -0.2341097 0.4054899), wk = 0.0028653 k( 51) = ( 0.3378378 -0.2388874 0.4137652), wk = 0.0028653 k( 52) = ( 0.3445946 -0.2436652 0.4220405), wk = 0.0028653 k( 53) = ( 0.3513514 -0.2484429 0.4303158), wk = 0.0028653 k( 54) = ( 0.3581081 -0.2532207 0.4385911), wk = 0.0028653 k( 55) = ( 0.3648649 -0.2579984 0.4468664), wk = 0.0028653 k( 56) = ( 0.3716216 -0.2627762 0.4551417), wk = 0.0028653 k( 57) = ( 0.3783784 -0.2675539 0.4634170), wk = 0.0028653 k( 58) = ( 0.3851351 -0.2723317 0.4716923), wk = 0.0028653 k( 59) = ( 0.3918919 -0.2771094 0.4799676), wk = 0.0028653 k( 60) = ( 0.3986486 -0.2818872 0.4882429), wk = 0.0028653 k( 61) = ( 0.4054054 -0.2866649 0.4965182), wk = 0.0028653 k( 62) = ( 0.4121622 -0.2914427 0.5047935), wk = 0.0028653 k( 63) = ( 0.4189189 -0.2962204 0.5130688), wk = 0.0028653 k( 64) = ( 0.4256757 -0.3009982 0.5213441), wk = 0.0028653 k( 65) = ( 0.4324324 -0.3057759 0.5296194), wk = 0.0028653 k( 66) = ( 0.4391892 -0.3105537 0.5378947), wk = 0.0028653 k( 67) = ( 0.4459459 -0.3153314 0.5461700), wk = 0.0028653 k( 68) = ( 0.4527027 -0.3201091 0.5544453), wk = 0.0028653 k( 69) = ( 0.4594595 -0.3248869 0.5627206), wk = 0.0028653 k( 70) = ( 0.4662162 -0.3296647 0.5709959), wk = 0.0028653 k( 71) = ( 0.4729730 -0.3344424 0.5792712), wk = 0.0028653 k( 72) = ( 0.4797297 -0.3392201 0.5875465), wk = 0.0028653 k( 73) = ( 0.4864865 -0.3439979 0.5958218), wk = 0.0028653 k( 74) = ( 0.4932432 -0.3487756 0.6040971), wk = 0.0028653 k( 75) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0028653 k( 76) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0028653 k( 77) = ( 0.4903846 -0.3467543 0.6123724), wk = 0.0028653 k( 78) = ( 0.4807692 -0.3399552 0.6123724), wk = 0.0028653 k( 79) = ( 0.4711538 -0.3331561 0.6123724), wk = 0.0028653 k( 80) = ( 0.4615385 -0.3263570 0.6123724), wk = 0.0028653 k( 81) = ( 0.4519231 -0.3195579 0.6123724), wk = 0.0028653 k( 82) = ( 0.4423077 -0.3127588 0.6123724), wk = 0.0028653 k( 83) = ( 0.4326923 -0.3059597 0.6123724), wk = 0.0028653 k( 84) = ( 0.4230769 -0.2991606 0.6123724), wk = 0.0028653 k( 85) = ( 0.4134615 -0.2923615 0.6123724), wk = 0.0028653 k( 86) = ( 0.4038462 -0.2855624 0.6123724), wk = 0.0028653 k( 87) = ( 0.3942308 -0.2787633 0.6123724), wk = 0.0028653 k( 88) = ( 0.3846154 -0.2719641 0.6123724), wk = 0.0028653 k( 89) = ( 0.3750000 -0.2651650 0.6123724), wk = 0.0028653 k( 90) = ( 0.3653846 -0.2583659 0.6123724), wk = 0.0028653 k( 91) = ( 0.3557692 -0.2515668 0.6123724), wk = 0.0028653 k( 92) = ( 0.3461538 -0.2447677 0.6123724), wk = 0.0028653 k( 93) = ( 0.3365385 -0.2379686 0.6123724), wk = 0.0028653 k( 94) = ( 0.3269231 -0.2311695 0.6123724), wk = 0.0028653 k( 95) = ( 0.3173077 -0.2243704 0.6123724), wk = 0.0028653 k( 96) = ( 0.3076923 -0.2175713 0.6123724), wk = 0.0028653 k( 97) = ( 0.2980769 -0.2107722 0.6123724), wk = 0.0028653 k( 98) = ( 0.2884615 -0.2039731 0.6123724), wk = 0.0028653 k( 99) = ( 0.2788462 -0.1971740 0.6123724), wk = 0.0028653 k( 100) = ( 0.2692308 -0.1903749 0.6123724), wk = 0.0028653 k( 101) = ( 0.2596154 -0.1835758 0.6123724), wk = 0.0028653 k( 102) = ( 0.2500000 -0.1767767 0.6123724), wk = 0.0028653 k( 103) = ( 0.2403846 -0.1699776 0.6123724), wk = 0.0028653 k( 104) = ( 0.2307692 -0.1631785 0.6123724), wk = 0.0028653 k( 105) = ( 0.2211539 -0.1563794 0.6123724), wk = 0.0028653 k( 106) = ( 0.2115385 -0.1495803 0.6123724), wk = 0.0028653 k( 107) = ( 0.2019231 -0.1427812 0.6123724), wk = 0.0028653 k( 108) = ( 0.1923077 -0.1359821 0.6123724), wk = 0.0028653 k( 109) = ( 0.1826923 -0.1291830 0.6123724), wk = 0.0028653 k( 110) = ( 0.1730769 -0.1223839 0.6123724), wk = 0.0028653 k( 111) = ( 0.1634615 -0.1155848 0.6123724), wk = 0.0028653 k( 112) = ( 0.1538461 -0.1087857 0.6123724), wk = 0.0028653 k( 113) = ( 0.1442308 -0.1019866 0.6123724), wk = 0.0028653 k( 114) = ( 0.1346154 -0.0951874 0.6123724), wk = 0.0028653 k( 115) = ( 0.1250000 -0.0883883 0.6123724), wk = 0.0028653 k( 116) = ( 0.1153846 -0.0815892 0.6123724), wk = 0.0028653 k( 117) = ( 0.1057692 -0.0747901 0.6123724), wk = 0.0028653 k( 118) = ( 0.0961538 -0.0679910 0.6123724), wk = 0.0028653 k( 119) = ( 0.0865385 -0.0611919 0.6123724), wk = 0.0028653 k( 120) = ( 0.0769231 -0.0543928 0.6123724), wk = 0.0028653 k( 121) = ( 0.0673077 -0.0475937 0.6123724), wk = 0.0028653 k( 122) = ( 0.0576923 -0.0407946 0.6123724), wk = 0.0028653 k( 123) = ( 0.0480769 -0.0339955 0.6123724), wk = 0.0028653 k( 124) = ( 0.0384615 -0.0271964 0.6123724), wk = 0.0028653 k( 125) = ( 0.0288462 -0.0203973 0.6123724), wk = 0.0028653 k( 126) = ( 0.0192308 -0.0135982 0.6123724), wk = 0.0028653 k( 127) = ( 0.0096154 -0.0067991 0.6123724), wk = 0.0028653 k( 128) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0028653 k( 129) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0028653 k( 130) = ( 0.0000000 0.0000000 0.6005960), wk = 0.0028653 k( 131) = ( 0.0000000 0.0000000 0.5888196), wk = 0.0028653 k( 132) = ( 0.0000000 0.0000000 0.5770433), wk = 0.0028653 k( 133) = ( 0.0000000 0.0000000 0.5652669), wk = 0.0028653 k( 134) = ( 0.0000000 0.0000000 0.5534905), wk = 0.0028653 k( 135) = ( 0.0000000 0.0000000 0.5417141), wk = 0.0028653 k( 136) = ( 0.0000000 0.0000000 0.5299377), wk = 0.0028653 k( 137) = ( 0.0000000 0.0000000 0.5181613), wk = 0.0028653 k( 138) = ( 0.0000000 0.0000000 0.5063849), wk = 0.0028653 k( 139) = ( 0.0000000 0.0000000 0.4946085), wk = 0.0028653 k( 140) = ( 0.0000000 0.0000000 0.4828321), wk = 0.0028653 k( 141) = ( 0.0000000 0.0000000 0.4710557), wk = 0.0028653 k( 142) = ( 0.0000000 0.0000000 0.4592793), wk = 0.0028653 k( 143) = ( 0.0000000 0.0000000 0.4475029), wk = 0.0028653 k( 144) = ( 0.0000000 0.0000000 0.4357265), wk = 0.0028653 k( 145) = ( 0.0000000 0.0000000 0.4239502), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.4121738), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.4003974), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.3886210), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.3768446), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.3650682), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.3532918), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.3415154), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.3297390), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.3179626), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.3061862), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.2944098), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.2826334), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.2708570), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.2590806), wk = 0.0028653 k( 160) = ( 0.0000000 0.0000000 0.2473043), wk = 0.0028653 k( 161) = ( 0.0000000 0.0000000 0.2355279), wk = 0.0028653 k( 162) = ( 0.0000000 0.0000000 0.2237515), wk = 0.0028653 k( 163) = ( 0.0000000 0.0000000 0.2119751), wk = 0.0028653 k( 164) = ( 0.0000000 0.0000000 0.2001987), wk = 0.0028653 k( 165) = ( 0.0000000 0.0000000 0.1884223), wk = 0.0028653 k( 166) = ( 0.0000000 0.0000000 0.1766459), wk = 0.0028653 k( 167) = ( 0.0000000 0.0000000 0.1648695), wk = 0.0028653 k( 168) = ( 0.0000000 0.0000000 0.1530931), wk = 0.0028653 k( 169) = ( 0.0000000 0.0000000 0.1413167), wk = 0.0028653 k( 170) = ( 0.0000000 0.0000000 0.1295403), wk = 0.0028653 k( 171) = ( 0.0000000 0.0000000 0.1177639), wk = 0.0028653 k( 172) = ( 0.0000000 0.0000000 0.1059875), wk = 0.0028653 k( 173) = ( 0.0000000 0.0000000 0.0942111), wk = 0.0028653 k( 174) = ( 0.0000000 0.0000000 0.0824347), wk = 0.0028653 k( 175) = ( 0.0000000 0.0000000 0.0706584), wk = 0.0028653 k( 176) = ( 0.0000000 0.0000000 0.0588820), wk = 0.0028653 k( 177) = ( 0.0000000 0.0000000 0.0471056), wk = 0.0028653 k( 178) = ( 0.0000000 0.0000000 0.0353292), wk = 0.0028653 k( 179) = ( 0.0000000 0.0000000 0.0235528), wk = 0.0028653 k( 180) = ( 0.0000000 0.0000000 0.0117764), wk = 0.0028653 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 183) = ( 0.0039062 0.0055243 0.0095683), wk = 0.0028653 k( 184) = ( 0.0078125 0.0110485 0.0191366), wk = 0.0028653 k( 185) = ( 0.0117188 0.0165728 0.0287050), wk = 0.0028653 k( 186) = ( 0.0156250 0.0220971 0.0382733), wk = 0.0028653 k( 187) = ( 0.0195312 0.0276214 0.0478416), wk = 0.0028653 k( 188) = ( 0.0234375 0.0331456 0.0574099), wk = 0.0028653 k( 189) = ( 0.0273438 0.0386699 0.0669782), wk = 0.0028653 k( 190) = ( 0.0312500 0.0441942 0.0765466), wk = 0.0028653 k( 191) = ( 0.0351562 0.0497184 0.0861149), wk = 0.0028653 k( 192) = ( 0.0390625 0.0552427 0.0956832), wk = 0.0028653 k( 193) = ( 0.0429688 0.0607670 0.1052515), wk = 0.0028653 k( 194) = ( 0.0468750 0.0662913 0.1148198), wk = 0.0028653 k( 195) = ( 0.0507812 0.0718155 0.1243882), wk = 0.0028653 k( 196) = ( 0.0546875 0.0773398 0.1339565), wk = 0.0028653 k( 197) = ( 0.0585938 0.0828641 0.1435248), wk = 0.0028653 k( 198) = ( 0.0625000 0.0883883 0.1530931), wk = 0.0028653 k( 199) = ( 0.0664062 0.0939126 0.1626614), wk = 0.0028653 k( 200) = ( 0.0703125 0.0994369 0.1722297), wk = 0.0028653 k( 201) = ( 0.0742188 0.1049612 0.1817981), wk = 0.0028653 k( 202) = ( 0.0781250 0.1104854 0.1913664), wk = 0.0028653 k( 203) = ( 0.0820312 0.1160097 0.2009347), wk = 0.0028653 k( 204) = ( 0.0859375 0.1215340 0.2105030), wk = 0.0028653 k( 205) = ( 0.0898438 0.1270582 0.2200713), wk = 0.0028653 k( 206) = ( 0.0937500 0.1325825 0.2296397), wk = 0.0028653 k( 207) = ( 0.0976562 0.1381068 0.2392080), wk = 0.0028653 k( 208) = ( 0.1015625 0.1436311 0.2487763), wk = 0.0028653 k( 209) = ( 0.1054688 0.1491553 0.2583446), wk = 0.0028653 k( 210) = ( 0.1093750 0.1546796 0.2679129), wk = 0.0028653 k( 211) = ( 0.1132812 0.1602039 0.2774813), wk = 0.0028653 k( 212) = ( 0.1171875 0.1657282 0.2870496), wk = 0.0028653 k( 213) = ( 0.1210938 0.1712524 0.2966179), wk = 0.0028653 k( 214) = ( 0.1250000 0.1767767 0.3061862), wk = 0.0028653 k( 215) = ( 0.1289062 0.1823010 0.3157545), wk = 0.0028653 k( 216) = ( 0.1328125 0.1878252 0.3253229), wk = 0.0028653 k( 217) = ( 0.1367188 0.1933495 0.3348912), wk = 0.0028653 k( 218) = ( 0.1406250 0.1988738 0.3444595), wk = 0.0028653 k( 219) = ( 0.1445312 0.2043981 0.3540278), wk = 0.0028653 k( 220) = ( 0.1484375 0.2099223 0.3635961), wk = 0.0028653 k( 221) = ( 0.1523438 0.2154466 0.3731645), wk = 0.0028653 k( 222) = ( 0.1562500 0.2209709 0.3827328), wk = 0.0028653 k( 223) = ( 0.1601562 0.2264951 0.3923011), wk = 0.0028653 k( 224) = ( 0.1640625 0.2320194 0.4018694), wk = 0.0028653 k( 225) = ( 0.1679688 0.2375437 0.4114377), wk = 0.0028653 k( 226) = ( 0.1718750 0.2430680 0.4210060), wk = 0.0028653 k( 227) = ( 0.1757812 0.2485922 0.4305744), wk = 0.0028653 k( 228) = ( 0.1796875 0.2541165 0.4401427), wk = 0.0028653 k( 229) = ( 0.1835938 0.2596408 0.4497110), wk = 0.0028653 k( 230) = ( 0.1875000 0.2651650 0.4592793), wk = 0.0028653 k( 231) = ( 0.1914062 0.2706893 0.4688476), wk = 0.0028653 k( 232) = ( 0.1953125 0.2762136 0.4784160), wk = 0.0028653 k( 233) = ( 0.1992188 0.2817379 0.4879843), wk = 0.0028653 k( 234) = ( 0.2031250 0.2872621 0.4975526), wk = 0.0028653 k( 235) = ( 0.2070312 0.2927864 0.5071209), wk = 0.0028653 k( 236) = ( 0.2109375 0.2983107 0.5166892), wk = 0.0028653 k( 237) = ( 0.2148438 0.3038349 0.5262576), wk = 0.0028653 k( 238) = ( 0.2187500 0.3093592 0.5358259), wk = 0.0028653 k( 239) = ( 0.2226562 0.3148835 0.5453942), wk = 0.0028653 k( 240) = ( 0.2265625 0.3204078 0.5549625), wk = 0.0028653 k( 241) = ( 0.2304688 0.3259320 0.5645308), wk = 0.0028653 k( 242) = ( 0.2343750 0.3314563 0.5740992), wk = 0.0028653 k( 243) = ( 0.2382812 0.3369806 0.5836675), wk = 0.0028653 k( 244) = ( 0.2421875 0.3425048 0.5932358), wk = 0.0028653 k( 245) = ( 0.2460938 0.3480291 0.6028041), wk = 0.0028653 k( 246) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0028653 k( 247) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0028653 k( 248) = ( 0.2539062 0.3425048 0.6123724), wk = 0.0028653 k( 249) = ( 0.2578125 0.3314563 0.6123724), wk = 0.0028653 k( 250) = ( 0.2617188 0.3204078 0.6123724), wk = 0.0028653 k( 251) = ( 0.2656250 0.3093592 0.6123724), wk = 0.0028653 k( 252) = ( 0.2695312 0.2983107 0.6123724), wk = 0.0028653 k( 253) = ( 0.2734375 0.2872621 0.6123724), wk = 0.0028653 k( 254) = ( 0.2773438 0.2762136 0.6123724), wk = 0.0028653 k( 255) = ( 0.2812500 0.2651650 0.6123724), wk = 0.0028653 k( 256) = ( 0.2851562 0.2541165 0.6123724), wk = 0.0028653 k( 257) = ( 0.2890625 0.2430680 0.6123724), wk = 0.0028653 k( 258) = ( 0.2929688 0.2320194 0.6123724), wk = 0.0028653 k( 259) = ( 0.2968750 0.2209709 0.6123724), wk = 0.0028653 k( 260) = ( 0.3007812 0.2099223 0.6123724), wk = 0.0028653 k( 261) = ( 0.3046875 0.1988738 0.6123724), wk = 0.0028653 k( 262) = ( 0.3085938 0.1878252 0.6123724), wk = 0.0028653 k( 263) = ( 0.3125000 0.1767767 0.6123724), wk = 0.0028653 k( 264) = ( 0.3164062 0.1657282 0.6123724), wk = 0.0028653 k( 265) = ( 0.3203125 0.1546796 0.6123724), wk = 0.0028653 k( 266) = ( 0.3242188 0.1436311 0.6123724), wk = 0.0028653 k( 267) = ( 0.3281250 0.1325825 0.6123724), wk = 0.0028653 k( 268) = ( 0.3320312 0.1215340 0.6123724), wk = 0.0028653 k( 269) = ( 0.3359375 0.1104854 0.6123724), wk = 0.0028653 k( 270) = ( 0.3398438 0.0994369 0.6123724), wk = 0.0028653 k( 271) = ( 0.3437500 0.0883883 0.6123724), wk = 0.0028653 k( 272) = ( 0.3476562 0.0773398 0.6123724), wk = 0.0028653 k( 273) = ( 0.3515625 0.0662913 0.6123724), wk = 0.0028653 k( 274) = ( 0.3554688 0.0552427 0.6123724), wk = 0.0028653 k( 275) = ( 0.3593750 0.0441942 0.6123724), wk = 0.0028653 k( 276) = ( 0.3632812 0.0331456 0.6123724), wk = 0.0028653 k( 277) = ( 0.3671875 0.0220971 0.6123724), wk = 0.0028653 k( 278) = ( 0.3710938 0.0110485 0.6123724), wk = 0.0028653 k( 279) = ( 0.3750000 -0.0000000 0.6123724), wk = 0.0028653 k( 280) = ( 0.3789062 -0.0110485 0.6123724), wk = 0.0028653 k( 281) = ( 0.3828125 -0.0220971 0.6123724), wk = 0.0028653 k( 282) = ( 0.3867188 -0.0331456 0.6123724), wk = 0.0028653 k( 283) = ( 0.3906250 -0.0441942 0.6123724), wk = 0.0028653 k( 284) = ( 0.3945312 -0.0552427 0.6123724), wk = 0.0028653 k( 285) = ( 0.3984375 -0.0662913 0.6123724), wk = 0.0028653 k( 286) = ( 0.4023438 -0.0773398 0.6123724), wk = 0.0028653 k( 287) = ( 0.4062500 -0.0883883 0.6123724), wk = 0.0028653 k( 288) = ( 0.4101562 -0.0994369 0.6123724), wk = 0.0028653 k( 289) = ( 0.4140625 -0.1104854 0.6123724), wk = 0.0028653 k( 290) = ( 0.4179688 -0.1215340 0.6123724), wk = 0.0028653 k( 291) = ( 0.4218750 -0.1325825 0.6123724), wk = 0.0028653 k( 292) = ( 0.4257812 -0.1436311 0.6123724), wk = 0.0028653 k( 293) = ( 0.4296875 -0.1546796 0.6123724), wk = 0.0028653 k( 294) = ( 0.4335938 -0.1657282 0.6123724), wk = 0.0028653 k( 295) = ( 0.4375000 -0.1767767 0.6123724), wk = 0.0028653 k( 296) = ( 0.4414062 -0.1878252 0.6123724), wk = 0.0028653 k( 297) = ( 0.4453125 -0.1988738 0.6123724), wk = 0.0028653 k( 298) = ( 0.4492188 -0.2099223 0.6123724), wk = 0.0028653 k( 299) = ( 0.4531250 -0.2209709 0.6123724), wk = 0.0028653 k( 300) = ( 0.4570312 -0.2320194 0.6123724), wk = 0.0028653 k( 301) = ( 0.4609375 -0.2430680 0.6123724), wk = 0.0028653 k( 302) = ( 0.4648438 -0.2541165 0.6123724), wk = 0.0028653 k( 303) = ( 0.4687500 -0.2651650 0.6123724), wk = 0.0028653 k( 304) = ( 0.4726562 -0.2762136 0.6123724), wk = 0.0028653 k( 305) = ( 0.4765625 -0.2872621 0.6123724), wk = 0.0028653 k( 306) = ( 0.4804688 -0.2983107 0.6123724), wk = 0.0028653 k( 307) = ( 0.4843750 -0.3093592 0.6123724), wk = 0.0028653 k( 308) = ( 0.4882812 -0.3204078 0.6123724), wk = 0.0028653 k( 309) = ( 0.4921875 -0.3314563 0.6123724), wk = 0.0028653 k( 310) = ( 0.4960938 -0.3425048 0.6123724), wk = 0.0028653 k( 311) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0028653 k( 312) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0028653 k( 313) = ( 0.2432432 0.3439979 0.6123724), wk = 0.0028653 k( 314) = ( 0.2364865 0.3344424 0.6123724), wk = 0.0028653 k( 315) = ( 0.2297297 0.3248869 0.6123724), wk = 0.0028653 k( 316) = ( 0.2229730 0.3153314 0.6123724), wk = 0.0028653 k( 317) = ( 0.2162162 0.3057759 0.6123724), wk = 0.0028653 k( 318) = ( 0.2094595 0.2962204 0.6123724), wk = 0.0028653 k( 319) = ( 0.2027027 0.2866649 0.6123724), wk = 0.0028653 k( 320) = ( 0.1959460 0.2771094 0.6123724), wk = 0.0028653 k( 321) = ( 0.1891892 0.2675539 0.6123724), wk = 0.0028653 k( 322) = ( 0.1824324 0.2579984 0.6123724), wk = 0.0028653 k( 323) = ( 0.1756757 0.2484429 0.6123724), wk = 0.0028653 k( 324) = ( 0.1689189 0.2388874 0.6123724), wk = 0.0028653 k( 325) = ( 0.1621622 0.2293319 0.6123724), wk = 0.0028653 k( 326) = ( 0.1554054 0.2197764 0.6123724), wk = 0.0028653 k( 327) = ( 0.1486486 0.2102209 0.6123724), wk = 0.0028653 k( 328) = ( 0.1418919 0.2006654 0.6123724), wk = 0.0028653 k( 329) = ( 0.1351351 0.1911099 0.6123724), wk = 0.0028653 k( 330) = ( 0.1283784 0.1815544 0.6123724), wk = 0.0028653 k( 331) = ( 0.1216216 0.1719989 0.6123724), wk = 0.0028653 k( 332) = ( 0.1148649 0.1624434 0.6123724), wk = 0.0028653 k( 333) = ( 0.1081081 0.1528880 0.6123724), wk = 0.0028653 k( 334) = ( 0.1013514 0.1433325 0.6123724), wk = 0.0028653 k( 335) = ( 0.0945946 0.1337770 0.6123724), wk = 0.0028653 k( 336) = ( 0.0878378 0.1242215 0.6123724), wk = 0.0028653 k( 337) = ( 0.0810811 0.1146660 0.6123724), wk = 0.0028653 k( 338) = ( 0.0743243 0.1051105 0.6123724), wk = 0.0028653 k( 339) = ( 0.0675676 0.0955550 0.6123724), wk = 0.0028653 k( 340) = ( 0.0608108 0.0859995 0.6123724), wk = 0.0028653 k( 341) = ( 0.0540540 0.0764440 0.6123724), wk = 0.0028653 k( 342) = ( 0.0472973 0.0668885 0.6123724), wk = 0.0028653 k( 343) = ( 0.0405405 0.0573330 0.6123724), wk = 0.0028653 k( 344) = ( 0.0337838 0.0477775 0.6123724), wk = 0.0028653 k( 345) = ( 0.0270270 0.0382220 0.6123724), wk = 0.0028653 k( 346) = ( 0.0202703 0.0286665 0.6123724), wk = 0.0028653 k( 347) = ( 0.0135135 0.0191110 0.6123724), wk = 0.0028653 k( 348) = ( 0.0067568 0.0095555 0.6123724), wk = 0.0028653 k( 349) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0028653 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0067568 -0.0067568 0.0067568), wk = 0.0028653 k( 3) = ( 0.0135135 -0.0135135 0.0135135), wk = 0.0028653 k( 4) = ( 0.0202703 -0.0202703 0.0202703), wk = 0.0028653 k( 5) = ( 0.0270270 -0.0270270 0.0270270), wk = 0.0028653 k( 6) = ( 0.0337838 -0.0337838 0.0337838), wk = 0.0028653 k( 7) = ( 0.0405405 -0.0405405 0.0405405), wk = 0.0028653 k( 8) = ( 0.0472973 -0.0472973 0.0472973), wk = 0.0028653 k( 9) = ( 0.0540540 -0.0540540 0.0540541), wk = 0.0028653 k( 10) = ( 0.0608108 -0.0608108 0.0608108), wk = 0.0028653 k( 11) = ( 0.0675676 -0.0675676 0.0675676), wk = 0.0028653 k( 12) = ( 0.0743243 -0.0743243 0.0743243), wk = 0.0028653 k( 13) = ( 0.0810811 -0.0810811 0.0810811), wk = 0.0028653 k( 14) = ( 0.0878378 -0.0878378 0.0878378), wk = 0.0028653 k( 15) = ( 0.0945946 -0.0945946 0.0945946), wk = 0.0028653 k( 16) = ( 0.1013514 -0.1013514 0.1013514), wk = 0.0028653 k( 17) = ( 0.1081081 -0.1081081 0.1081081), wk = 0.0028653 k( 18) = ( 0.1148649 -0.1148649 0.1148649), wk = 0.0028653 k( 19) = ( 0.1216216 -0.1216216 0.1216216), wk = 0.0028653 k( 20) = ( 0.1283784 -0.1283784 0.1283784), wk = 0.0028653 k( 21) = ( 0.1351351 -0.1351351 0.1351351), wk = 0.0028653 k( 22) = ( 0.1418919 -0.1418919 0.1418919), wk = 0.0028653 k( 23) = ( 0.1486486 -0.1486486 0.1486486), wk = 0.0028653 k( 24) = ( 0.1554054 -0.1554054 0.1554054), wk = 0.0028653 k( 25) = ( 0.1621622 -0.1621622 0.1621622), wk = 0.0028653 k( 26) = ( 0.1689189 -0.1689189 0.1689189), wk = 0.0028653 k( 27) = ( 0.1756757 -0.1756757 0.1756757), wk = 0.0028653 k( 28) = ( 0.1824324 -0.1824324 0.1824324), wk = 0.0028653 k( 29) = ( 0.1891892 -0.1891892 0.1891892), wk = 0.0028653 k( 30) = ( 0.1959460 -0.1959460 0.1959460), wk = 0.0028653 k( 31) = ( 0.2027027 -0.2027027 0.2027027), wk = 0.0028653 k( 32) = ( 0.2094595 -0.2094595 0.2094595), wk = 0.0028653 k( 33) = ( 0.2162162 -0.2162162 0.2162162), wk = 0.0028653 k( 34) = ( 0.2229730 -0.2229730 0.2229730), wk = 0.0028653 k( 35) = ( 0.2297297 -0.2297297 0.2297297), wk = 0.0028653 k( 36) = ( 0.2364865 -0.2364865 0.2364865), wk = 0.0028653 k( 37) = ( 0.2432432 -0.2432432 0.2432432), wk = 0.0028653 k( 38) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0028653 k( 39) = ( 0.2567568 -0.2567568 0.2567568), wk = 0.0028653 k( 40) = ( 0.2635135 -0.2635135 0.2635135), wk = 0.0028653 k( 41) = ( 0.2702703 -0.2702703 0.2702703), wk = 0.0028653 k( 42) = ( 0.2770270 -0.2770270 0.2770270), wk = 0.0028653 k( 43) = ( 0.2837838 -0.2837838 0.2837838), wk = 0.0028653 k( 44) = ( 0.2905405 -0.2905405 0.2905405), wk = 0.0028653 k( 45) = ( 0.2972973 -0.2972973 0.2972973), wk = 0.0028653 k( 46) = ( 0.3040541 -0.3040541 0.3040541), wk = 0.0028653 k( 47) = ( 0.3108108 -0.3108108 0.3108108), wk = 0.0028653 k( 48) = ( 0.3175676 -0.3175676 0.3175676), wk = 0.0028653 k( 49) = ( 0.3243243 -0.3243243 0.3243243), wk = 0.0028653 k( 50) = ( 0.3310811 -0.3310811 0.3310811), wk = 0.0028653 k( 51) = ( 0.3378378 -0.3378378 0.3378378), wk = 0.0028653 k( 52) = ( 0.3445946 -0.3445946 0.3445946), wk = 0.0028653 k( 53) = ( 0.3513514 -0.3513514 0.3513514), wk = 0.0028653 k( 54) = ( 0.3581081 -0.3581081 0.3581081), wk = 0.0028653 k( 55) = ( 0.3648649 -0.3648649 0.3648649), wk = 0.0028653 k( 56) = ( 0.3716216 -0.3716216 0.3716216), wk = 0.0028653 k( 57) = ( 0.3783784 -0.3783784 0.3783784), wk = 0.0028653 k( 58) = ( 0.3851351 -0.3851351 0.3851351), wk = 0.0028653 k( 59) = ( 0.3918919 -0.3918919 0.3918919), wk = 0.0028653 k( 60) = ( 0.3986486 -0.3986487 0.3986487), wk = 0.0028653 k( 61) = ( 0.4054054 -0.4054054 0.4054054), wk = 0.0028653 k( 62) = ( 0.4121622 -0.4121622 0.4121622), wk = 0.0028653 k( 63) = ( 0.4189189 -0.4189189 0.4189189), wk = 0.0028653 k( 64) = ( 0.4256757 -0.4256757 0.4256757), wk = 0.0028653 k( 65) = ( 0.4324324 -0.4324324 0.4324324), wk = 0.0028653 k( 66) = ( 0.4391892 -0.4391892 0.4391892), wk = 0.0028653 k( 67) = ( 0.4459459 -0.4459459 0.4459460), wk = 0.0028653 k( 68) = ( 0.4527027 -0.4527027 0.4527027), wk = 0.0028653 k( 69) = ( 0.4594595 -0.4594595 0.4594595), wk = 0.0028653 k( 70) = ( 0.4662162 -0.4662162 0.4662162), wk = 0.0028653 k( 71) = ( 0.4729730 -0.4729730 0.4729730), wk = 0.0028653 k( 72) = ( 0.4797297 -0.4797297 0.4797297), wk = 0.0028653 k( 73) = ( 0.4864865 -0.4864865 0.4864865), wk = 0.0028653 k( 74) = ( 0.4932432 -0.4932432 0.4932432), wk = 0.0028653 k( 75) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0028653 k( 76) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0028653 k( 77) = ( 0.4903846 -0.4903846 0.5000000), wk = 0.0028653 k( 78) = ( 0.4807692 -0.4807692 0.5000000), wk = 0.0028653 k( 79) = ( 0.4711538 -0.4711539 0.5000000), wk = 0.0028653 k( 80) = ( 0.4615385 -0.4615385 0.5000000), wk = 0.0028653 k( 81) = ( 0.4519231 -0.4519231 0.5000000), wk = 0.0028653 k( 82) = ( 0.4423077 -0.4423077 0.5000000), wk = 0.0028653 k( 83) = ( 0.4326923 -0.4326923 0.5000000), wk = 0.0028653 k( 84) = ( 0.4230769 -0.4230769 0.5000000), wk = 0.0028653 k( 85) = ( 0.4134615 -0.4134615 0.5000000), wk = 0.0028653 k( 86) = ( 0.4038462 -0.4038462 0.5000000), wk = 0.0028653 k( 87) = ( 0.3942308 -0.3942308 0.5000000), wk = 0.0028653 k( 88) = ( 0.3846154 -0.3846154 0.5000000), wk = 0.0028653 k( 89) = ( 0.3750000 -0.3750000 0.5000000), wk = 0.0028653 k( 90) = ( 0.3653846 -0.3653846 0.5000000), wk = 0.0028653 k( 91) = ( 0.3557692 -0.3557692 0.5000000), wk = 0.0028653 k( 92) = ( 0.3461538 -0.3461538 0.5000000), wk = 0.0028653 k( 93) = ( 0.3365385 -0.3365385 0.5000000), wk = 0.0028653 k( 94) = ( 0.3269231 -0.3269231 0.5000000), wk = 0.0028653 k( 95) = ( 0.3173077 -0.3173077 0.5000000), wk = 0.0028653 k( 96) = ( 0.3076923 -0.3076923 0.5000000), wk = 0.0028653 k( 97) = ( 0.2980769 -0.2980769 0.5000000), wk = 0.0028653 k( 98) = ( 0.2884615 -0.2884615 0.5000000), wk = 0.0028653 k( 99) = ( 0.2788462 -0.2788462 0.5000000), wk = 0.0028653 k( 100) = ( 0.2692308 -0.2692308 0.5000000), wk = 0.0028653 k( 101) = ( 0.2596154 -0.2596154 0.5000000), wk = 0.0028653 k( 102) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0028653 k( 103) = ( 0.2403846 -0.2403846 0.5000000), wk = 0.0028653 k( 104) = ( 0.2307692 -0.2307692 0.5000000), wk = 0.0028653 k( 105) = ( 0.2211539 -0.2211539 0.5000000), wk = 0.0028653 k( 106) = ( 0.2115385 -0.2115385 0.5000000), wk = 0.0028653 k( 107) = ( 0.2019231 -0.2019231 0.5000000), wk = 0.0028653 k( 108) = ( 0.1923077 -0.1923077 0.5000000), wk = 0.0028653 k( 109) = ( 0.1826923 -0.1826923 0.5000000), wk = 0.0028653 k( 110) = ( 0.1730769 -0.1730769 0.5000000), wk = 0.0028653 k( 111) = ( 0.1634615 -0.1634615 0.5000000), wk = 0.0028653 k( 112) = ( 0.1538461 -0.1538461 0.5000000), wk = 0.0028653 k( 113) = ( 0.1442308 -0.1442308 0.5000000), wk = 0.0028653 k( 114) = ( 0.1346154 -0.1346154 0.5000000), wk = 0.0028653 k( 115) = ( 0.1250000 -0.1250000 0.5000000), wk = 0.0028653 k( 116) = ( 0.1153846 -0.1153846 0.5000000), wk = 0.0028653 k( 117) = ( 0.1057692 -0.1057692 0.5000000), wk = 0.0028653 k( 118) = ( 0.0961538 -0.0961538 0.5000000), wk = 0.0028653 k( 119) = ( 0.0865385 -0.0865385 0.5000000), wk = 0.0028653 k( 120) = ( 0.0769231 -0.0769231 0.5000000), wk = 0.0028653 k( 121) = ( 0.0673077 -0.0673077 0.5000000), wk = 0.0028653 k( 122) = ( 0.0576923 -0.0576923 0.5000000), wk = 0.0028653 k( 123) = ( 0.0480769 -0.0480769 0.5000000), wk = 0.0028653 k( 124) = ( 0.0384615 -0.0384615 0.5000000), wk = 0.0028653 k( 125) = ( 0.0288462 -0.0288462 0.5000000), wk = 0.0028653 k( 126) = ( 0.0192308 -0.0192308 0.5000000), wk = 0.0028653 k( 127) = ( 0.0096154 -0.0096154 0.5000000), wk = 0.0028653 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 130) = ( 0.0000000 0.0000000 0.4903846), wk = 0.0028653 k( 131) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0028653 k( 132) = ( 0.0000000 0.0000000 0.4711538), wk = 0.0028653 k( 133) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0028653 k( 134) = ( 0.0000000 0.0000000 0.4519231), wk = 0.0028653 k( 135) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0028653 k( 136) = ( 0.0000000 0.0000000 0.4326923), wk = 0.0028653 k( 137) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0028653 k( 138) = ( 0.0000000 0.0000000 0.4134615), wk = 0.0028653 k( 139) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0028653 k( 140) = ( 0.0000000 0.0000000 0.3942308), wk = 0.0028653 k( 141) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0028653 k( 142) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028653 k( 143) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0028653 k( 144) = ( 0.0000000 0.0000000 0.3557692), wk = 0.0028653 k( 145) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.3365385), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.3173077), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.2980769), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.2788462), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.2596154), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.2403846), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.2211539), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0028653 k( 160) = ( 0.0000000 0.0000000 0.2019231), wk = 0.0028653 k( 161) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0028653 k( 162) = ( 0.0000000 0.0000000 0.1826923), wk = 0.0028653 k( 163) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0028653 k( 164) = ( 0.0000000 0.0000000 0.1634615), wk = 0.0028653 k( 165) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0028653 k( 166) = ( 0.0000000 0.0000000 0.1442308), wk = 0.0028653 k( 167) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0028653 k( 168) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028653 k( 169) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0028653 k( 170) = ( 0.0000000 0.0000000 0.1057692), wk = 0.0028653 k( 171) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0028653 k( 172) = ( 0.0000000 0.0000000 0.0865385), wk = 0.0028653 k( 173) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0028653 k( 174) = ( 0.0000000 0.0000000 0.0673077), wk = 0.0028653 k( 175) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0028653 k( 176) = ( 0.0000000 0.0000000 0.0480769), wk = 0.0028653 k( 177) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0028653 k( 178) = ( 0.0000000 0.0000000 0.0288462), wk = 0.0028653 k( 179) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0028653 k( 180) = ( 0.0000000 0.0000000 0.0096154), wk = 0.0028653 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 183) = ( 0.0039062 0.0039063 0.0039062), wk = 0.0028653 k( 184) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0028653 k( 185) = ( 0.0117188 0.0117188 0.0117188), wk = 0.0028653 k( 186) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0028653 k( 187) = ( 0.0195312 0.0195312 0.0195313), wk = 0.0028653 k( 188) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0028653 k( 189) = ( 0.0273438 0.0273438 0.0273438), wk = 0.0028653 k( 190) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0028653 k( 191) = ( 0.0351562 0.0351562 0.0351562), wk = 0.0028653 k( 192) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0028653 k( 193) = ( 0.0429688 0.0429687 0.0429688), wk = 0.0028653 k( 194) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0028653 k( 195) = ( 0.0507812 0.0507813 0.0507812), wk = 0.0028653 k( 196) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0028653 k( 197) = ( 0.0585938 0.0585938 0.0585938), wk = 0.0028653 k( 198) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0028653 k( 199) = ( 0.0664062 0.0664062 0.0664062), wk = 0.0028653 k( 200) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0028653 k( 201) = ( 0.0742188 0.0742188 0.0742188), wk = 0.0028653 k( 202) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0028653 k( 203) = ( 0.0820312 0.0820312 0.0820313), wk = 0.0028653 k( 204) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0028653 k( 205) = ( 0.0898438 0.0898438 0.0898438), wk = 0.0028653 k( 206) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0028653 k( 207) = ( 0.0976562 0.0976562 0.0976563), wk = 0.0028653 k( 208) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0028653 k( 209) = ( 0.1054688 0.1054688 0.1054688), wk = 0.0028653 k( 210) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0028653 k( 211) = ( 0.1132812 0.1132813 0.1132812), wk = 0.0028653 k( 212) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0028653 k( 213) = ( 0.1210938 0.1210937 0.1210938), wk = 0.0028653 k( 214) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0028653 k( 215) = ( 0.1289062 0.1289062 0.1289063), wk = 0.0028653 k( 216) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0028653 k( 217) = ( 0.1367188 0.1367187 0.1367188), wk = 0.0028653 k( 218) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0028653 k( 219) = ( 0.1445312 0.1445313 0.1445313), wk = 0.0028653 k( 220) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0028653 k( 221) = ( 0.1523438 0.1523438 0.1523438), wk = 0.0028653 k( 222) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0028653 k( 223) = ( 0.1601562 0.1601562 0.1601563), wk = 0.0028653 k( 224) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0028653 k( 225) = ( 0.1679688 0.1679688 0.1679688), wk = 0.0028653 k( 226) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0028653 k( 227) = ( 0.1757812 0.1757812 0.1757813), wk = 0.0028653 k( 228) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0028653 k( 229) = ( 0.1835938 0.1835938 0.1835938), wk = 0.0028653 k( 230) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0028653 k( 231) = ( 0.1914062 0.1914062 0.1914063), wk = 0.0028653 k( 232) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0028653 k( 233) = ( 0.1992188 0.1992188 0.1992188), wk = 0.0028653 k( 234) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0028653 k( 235) = ( 0.2070312 0.2070312 0.2070312), wk = 0.0028653 k( 236) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0028653 k( 237) = ( 0.2148438 0.2148437 0.2148437), wk = 0.0028653 k( 238) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0028653 k( 239) = ( 0.2226562 0.2226562 0.2226563), wk = 0.0028653 k( 240) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0028653 k( 241) = ( 0.2304688 0.2304688 0.2304688), wk = 0.0028653 k( 242) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0028653 k( 243) = ( 0.2382812 0.2382812 0.2382812), wk = 0.0028653 k( 244) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0028653 k( 245) = ( 0.2460938 0.2460938 0.2460938), wk = 0.0028653 k( 246) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028653 k( 247) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028653 k( 248) = ( 0.2539062 0.2382813 0.2539062), wk = 0.0028653 k( 249) = ( 0.2578125 0.2265625 0.2578125), wk = 0.0028653 k( 250) = ( 0.2617188 0.2148438 0.2617188), wk = 0.0028653 k( 251) = ( 0.2656250 0.2031250 0.2656250), wk = 0.0028653 k( 252) = ( 0.2695312 0.1914062 0.2695313), wk = 0.0028653 k( 253) = ( 0.2734375 0.1796875 0.2734375), wk = 0.0028653 k( 254) = ( 0.2773438 0.1679687 0.2773438), wk = 0.0028653 k( 255) = ( 0.2812500 0.1562500 0.2812500), wk = 0.0028653 k( 256) = ( 0.2851562 0.1445312 0.2851563), wk = 0.0028653 k( 257) = ( 0.2890625 0.1328125 0.2890625), wk = 0.0028653 k( 258) = ( 0.2929688 0.1210938 0.2929688), wk = 0.0028653 k( 259) = ( 0.2968750 0.1093750 0.2968750), wk = 0.0028653 k( 260) = ( 0.3007812 0.0976562 0.3007813), wk = 0.0028653 k( 261) = ( 0.3046875 0.0859375 0.3046875), wk = 0.0028653 k( 262) = ( 0.3085938 0.0742188 0.3085938), wk = 0.0028653 k( 263) = ( 0.3125000 0.0625000 0.3125000), wk = 0.0028653 k( 264) = ( 0.3164062 0.0507812 0.3164063), wk = 0.0028653 k( 265) = ( 0.3203125 0.0390625 0.3203125), wk = 0.0028653 k( 266) = ( 0.3242188 0.0273438 0.3242188), wk = 0.0028653 k( 267) = ( 0.3281250 0.0156250 0.3281250), wk = 0.0028653 k( 268) = ( 0.3320312 0.0039062 0.3320312), wk = 0.0028653 k( 269) = ( 0.3359375 -0.0078125 0.3359375), wk = 0.0028653 k( 270) = ( 0.3398438 -0.0195312 0.3398438), wk = 0.0028653 k( 271) = ( 0.3437500 -0.0312500 0.3437500), wk = 0.0028653 k( 272) = ( 0.3476562 -0.0429687 0.3476563), wk = 0.0028653 k( 273) = ( 0.3515625 -0.0546875 0.3515625), wk = 0.0028653 k( 274) = ( 0.3554688 -0.0664063 0.3554688), wk = 0.0028653 k( 275) = ( 0.3593750 -0.0781250 0.3593750), wk = 0.0028653 k( 276) = ( 0.3632812 -0.0898438 0.3632813), wk = 0.0028653 k( 277) = ( 0.3671875 -0.1015625 0.3671875), wk = 0.0028653 k( 278) = ( 0.3710938 -0.1132812 0.3710938), wk = 0.0028653 k( 279) = ( 0.3750000 -0.1250000 0.3750000), wk = 0.0028653 k( 280) = ( 0.3789062 -0.1367188 0.3789063), wk = 0.0028653 k( 281) = ( 0.3828125 -0.1484375 0.3828125), wk = 0.0028653 k( 282) = ( 0.3867188 -0.1601562 0.3867188), wk = 0.0028653 k( 283) = ( 0.3906250 -0.1718750 0.3906250), wk = 0.0028653 k( 284) = ( 0.3945312 -0.1835938 0.3945313), wk = 0.0028653 k( 285) = ( 0.3984375 -0.1953125 0.3984375), wk = 0.0028653 k( 286) = ( 0.4023438 -0.2070312 0.4023438), wk = 0.0028653 k( 287) = ( 0.4062500 -0.2187500 0.4062500), wk = 0.0028653 k( 288) = ( 0.4101562 -0.2304688 0.4101562), wk = 0.0028653 k( 289) = ( 0.4140625 -0.2421875 0.4140625), wk = 0.0028653 k( 290) = ( 0.4179688 -0.2539062 0.4179688), wk = 0.0028653 k( 291) = ( 0.4218750 -0.2656250 0.4218750), wk = 0.0028653 k( 292) = ( 0.4257812 -0.2773438 0.4257813), wk = 0.0028653 k( 293) = ( 0.4296875 -0.2890625 0.4296875), wk = 0.0028653 k( 294) = ( 0.4335938 -0.3007812 0.4335938), wk = 0.0028653 k( 295) = ( 0.4375000 -0.3125000 0.4375000), wk = 0.0028653 k( 296) = ( 0.4414062 -0.3242188 0.4414063), wk = 0.0028653 k( 297) = ( 0.4453125 -0.3359375 0.4453125), wk = 0.0028653 k( 298) = ( 0.4492188 -0.3476562 0.4492188), wk = 0.0028653 k( 299) = ( 0.4531250 -0.3593750 0.4531250), wk = 0.0028653 k( 300) = ( 0.4570312 -0.3710938 0.4570313), wk = 0.0028653 k( 301) = ( 0.4609375 -0.3828125 0.4609375), wk = 0.0028653 k( 302) = ( 0.4648438 -0.3945312 0.4648438), wk = 0.0028653 k( 303) = ( 0.4687500 -0.4062500 0.4687500), wk = 0.0028653 k( 304) = ( 0.4726562 -0.4179688 0.4726563), wk = 0.0028653 k( 305) = ( 0.4765625 -0.4296875 0.4765625), wk = 0.0028653 k( 306) = ( 0.4804688 -0.4414062 0.4804688), wk = 0.0028653 k( 307) = ( 0.4843750 -0.4531250 0.4843750), wk = 0.0028653 k( 308) = ( 0.4882812 -0.4648438 0.4882813), wk = 0.0028653 k( 309) = ( 0.4921875 -0.4765625 0.4921875), wk = 0.0028653 k( 310) = ( 0.4960938 -0.4882812 0.4960938), wk = 0.0028653 k( 311) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0028653 k( 312) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028653 k( 313) = ( 0.2432432 0.2432432 0.2567568), wk = 0.0028653 k( 314) = ( 0.2364865 0.2364865 0.2635135), wk = 0.0028653 k( 315) = ( 0.2297297 0.2297297 0.2702703), wk = 0.0028653 k( 316) = ( 0.2229730 0.2229730 0.2770270), wk = 0.0028653 k( 317) = ( 0.2162162 0.2162162 0.2837838), wk = 0.0028653 k( 318) = ( 0.2094595 0.2094595 0.2905405), wk = 0.0028653 k( 319) = ( 0.2027027 0.2027027 0.2972973), wk = 0.0028653 k( 320) = ( 0.1959460 0.1959459 0.3040541), wk = 0.0028653 k( 321) = ( 0.1891892 0.1891892 0.3108108), wk = 0.0028653 k( 322) = ( 0.1824324 0.1824324 0.3175676), wk = 0.0028653 k( 323) = ( 0.1756757 0.1756757 0.3243243), wk = 0.0028653 k( 324) = ( 0.1689189 0.1689189 0.3310811), wk = 0.0028653 k( 325) = ( 0.1621622 0.1621622 0.3378378), wk = 0.0028653 k( 326) = ( 0.1554054 0.1554054 0.3445946), wk = 0.0028653 k( 327) = ( 0.1486486 0.1486486 0.3513514), wk = 0.0028653 k( 328) = ( 0.1418919 0.1418919 0.3581081), wk = 0.0028653 k( 329) = ( 0.1351351 0.1351351 0.3648649), wk = 0.0028653 k( 330) = ( 0.1283784 0.1283784 0.3716216), wk = 0.0028653 k( 331) = ( 0.1216216 0.1216216 0.3783784), wk = 0.0028653 k( 332) = ( 0.1148649 0.1148649 0.3851351), wk = 0.0028653 k( 333) = ( 0.1081081 0.1081081 0.3918919), wk = 0.0028653 k( 334) = ( 0.1013514 0.1013513 0.3986487), wk = 0.0028653 k( 335) = ( 0.0945946 0.0945946 0.4054054), wk = 0.0028653 k( 336) = ( 0.0878378 0.0878378 0.4121622), wk = 0.0028653 k( 337) = ( 0.0810811 0.0810811 0.4189189), wk = 0.0028653 k( 338) = ( 0.0743243 0.0743243 0.4256757), wk = 0.0028653 k( 339) = ( 0.0675676 0.0675676 0.4324324), wk = 0.0028653 k( 340) = ( 0.0608108 0.0608108 0.4391892), wk = 0.0028653 k( 341) = ( 0.0540540 0.0540541 0.4459460), wk = 0.0028653 k( 342) = ( 0.0472973 0.0472973 0.4527027), wk = 0.0028653 k( 343) = ( 0.0405405 0.0405405 0.4594595), wk = 0.0028653 k( 344) = ( 0.0337838 0.0337838 0.4662162), wk = 0.0028653 k( 345) = ( 0.0270270 0.0270270 0.4729730), wk = 0.0028653 k( 346) = ( 0.0202703 0.0202703 0.4797297), wk = 0.0028653 k( 347) = ( 0.0135135 0.0135135 0.4864865), wk = 0.0028653 k( 348) = ( 0.0067568 0.0067568 0.4932432), wk = 0.0028653 k( 349) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 Dense grid: 26227 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 9405 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 68, 40) NL pseudopotentials 0.06 Mb ( 34, 112) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 728) G-vector shells 0.00 Mb ( 181) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 68, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000014 0.000000 The potential is recalculated from file : ./C.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.4 secs Computing kpt #: 8 total cpu time spent up to now is 3.7 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.1 secs Computing kpt #: 11 total cpu time spent up to now is 4.4 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.9 secs Computing kpt #: 14 total cpu time spent up to now is 5.1 secs Computing kpt #: 15 total cpu time spent up to now is 5.3 secs Computing kpt #: 16 total cpu time spent up to now is 5.5 secs Computing kpt #: 17 total cpu time spent up to now is 5.8 secs Computing kpt #: 18 total cpu time spent up to now is 6.1 secs Computing kpt #: 19 total cpu time spent up to now is 6.3 secs Computing kpt #: 20 total cpu time spent up to now is 6.5 secs Computing kpt #: 21 total cpu time spent up to now is 6.8 secs Computing kpt #: 22 total cpu time spent up to now is 7.0 secs Computing kpt #: 23 total cpu time spent up to now is 7.1 secs Computing kpt #: 24 total cpu time spent up to now is 7.3 secs Computing kpt #: 25 total cpu time spent up to now is 7.4 secs Computing kpt #: 26 total cpu time spent up to now is 7.6 secs Computing kpt #: 27 total cpu time spent up to now is 7.7 secs Computing kpt #: 28 total cpu time spent up to now is 7.9 secs Computing kpt #: 29 total cpu time spent up to now is 8.0 secs Computing kpt #: 30 total cpu time spent up to now is 8.1 secs Computing kpt #: 31 total cpu time spent up to now is 8.3 secs Computing kpt #: 32 total cpu time spent up to now is 8.4 secs Computing kpt #: 33 total cpu time spent up to now is 8.5 secs Computing kpt #: 34 total cpu time spent up to now is 8.7 secs Computing kpt #: 35 total cpu time spent up to now is 8.8 secs Computing kpt #: 36 total cpu time spent up to now is 8.9 secs Computing kpt #: 37 total cpu time spent up to now is 9.1 secs Computing kpt #: 38 total cpu time spent up to now is 9.2 secs Computing kpt #: 39 total cpu time spent up to now is 9.3 secs Computing kpt #: 40 total cpu time spent up to now is 9.5 secs Computing kpt #: 41 total cpu time spent up to now is 9.6 secs Computing kpt #: 42 total cpu time spent up to now is 9.8 secs Computing kpt #: 43 total cpu time spent up to now is 9.9 secs Computing kpt #: 44 total cpu time spent up to now is 10.0 secs Computing kpt #: 45 total cpu time spent up to now is 10.2 secs Computing kpt #: 46 total cpu time spent up to now is 10.3 secs Computing kpt #: 47 total cpu time spent up to now is 10.5 secs Computing kpt #: 48 total cpu time spent up to now is 10.6 secs Computing kpt #: 49 total cpu time spent up to now is 10.8 secs Computing kpt #: 50 total cpu time spent up to now is 10.9 secs Computing kpt #: 51 total cpu time spent up to now is 11.1 secs Computing kpt #: 52 total cpu time spent up to now is 11.2 secs Computing kpt #: 53 total cpu time spent up to now is 11.4 secs Computing kpt #: 54 total cpu time spent up to now is 11.6 secs Computing kpt #: 55 total cpu time spent up to now is 11.8 secs Computing kpt #: 56 total cpu time spent up to now is 11.9 secs Computing kpt #: 57 total cpu time spent up to now is 12.1 secs Computing kpt #: 58 total cpu time spent up to now is 12.3 secs Computing kpt #: 59 total cpu time spent up to now is 12.5 secs Computing kpt #: 60 total cpu time spent up to now is 12.6 secs Computing kpt #: 61 total cpu time spent up to now is 12.8 secs Computing kpt #: 62 total cpu time spent up to now is 12.9 secs Computing kpt #: 63 total cpu time spent up to now is 13.1 secs Computing kpt #: 64 total cpu time spent up to now is 13.2 secs Computing kpt #: 65 total cpu time spent up to now is 13.4 secs Computing kpt #: 66 total cpu time spent up to now is 13.5 secs Computing kpt #: 67 total cpu time spent up to now is 13.7 secs Computing kpt #: 68 total cpu time spent up to now is 13.8 secs Computing kpt #: 69 total cpu time spent up to now is 13.9 secs Computing kpt #: 70 total cpu time spent up to now is 14.1 secs Computing kpt #: 71 total cpu time spent up to now is 14.2 secs Computing kpt #: 72 total cpu time spent up to now is 14.3 secs Computing kpt #: 73 total cpu time spent up to now is 14.5 secs Computing kpt #: 74 total cpu time spent up to now is 14.6 secs Computing kpt #: 75 total cpu time spent up to now is 14.7 secs Computing kpt #: 76 total cpu time spent up to now is 14.8 secs Computing kpt #: 77 total cpu time spent up to now is 15.0 secs Computing kpt #: 78 total cpu time spent up to now is 15.1 secs Computing kpt #: 79 total cpu time spent up to now is 15.2 secs Computing kpt #: 80 total cpu time spent up to now is 15.4 secs Computing kpt #: 81 total cpu time spent up to now is 15.5 secs Computing kpt #: 82 total cpu time spent up to now is 15.6 secs Computing kpt #: 83 total cpu time spent up to now is 15.8 secs Computing kpt #: 84 total cpu time spent up to now is 15.9 secs Computing kpt #: 85 total cpu time spent up to now is 16.0 secs Computing kpt #: 86 total cpu time spent up to now is 16.2 secs Computing kpt #: 87 total cpu time spent up to now is 16.3 secs Computing kpt #: 88 total cpu time spent up to now is 16.5 secs Computing kpt #: 89 total cpu time spent up to now is 16.6 secs Computing kpt #: 90 total cpu time spent up to now is 16.7 secs Computing kpt #: 91 total cpu time spent up to now is 16.9 secs Computing kpt #: 92 total cpu time spent up to now is 17.1 secs Computing kpt #: 93 total cpu time spent up to now is 17.2 secs Computing kpt #: 94 total cpu time spent up to now is 17.4 secs Computing kpt #: 95 total cpu time spent up to now is 17.6 secs Computing kpt #: 96 total cpu time spent up to now is 17.7 secs Computing kpt #: 97 total cpu time spent up to now is 17.9 secs Computing kpt #: 98 total cpu time spent up to now is 18.1 secs Computing kpt #: 99 total cpu time spent up to now is 18.2 secs Computing kpt #: 100 total cpu time spent up to now is 18.4 secs Computing kpt #: 101 total cpu time spent up to now is 18.6 secs Computing kpt #: 102 total cpu time spent up to now is 18.8 secs Computing kpt #: 103 total cpu time spent up to now is 18.9 secs Computing kpt #: 104 total cpu time spent up to now is 19.1 secs Computing kpt #: 105 total cpu time spent up to now is 19.3 secs Computing kpt #: 106 total cpu time spent up to now is 19.5 secs Computing kpt #: 107 total cpu time spent up to now is 19.7 secs Computing kpt #: 108 total cpu time spent up to now is 19.8 secs Computing kpt #: 109 total cpu time spent up to now is 20.0 secs Computing kpt #: 110 total cpu time spent up to now is 20.2 secs Computing kpt #: 111 total cpu time spent up to now is 20.4 secs Computing kpt #: 112 total cpu time spent up to now is 20.5 secs Computing kpt #: 113 total cpu time spent up to now is 20.7 secs Computing kpt #: 114 total cpu time spent up to now is 20.9 secs Computing kpt #: 115 total cpu time spent up to now is 21.1 secs Computing kpt #: 116 total cpu time spent up to now is 21.2 secs Computing kpt #: 117 total cpu time spent up to now is 21.4 secs Computing kpt #: 118 total cpu time spent up to now is 21.6 secs Computing kpt #: 119 total cpu time spent up to now is 21.7 secs Computing kpt #: 120 total cpu time spent up to now is 21.9 secs Computing kpt #: 121 total cpu time spent up to now is 22.1 secs Computing kpt #: 122 total cpu time spent up to now is 22.2 secs Computing kpt #: 123 total cpu time spent up to now is 22.4 secs Computing kpt #: 124 total cpu time spent up to now is 22.5 secs Computing kpt #: 125 total cpu time spent up to now is 22.7 secs Computing kpt #: 126 total cpu time spent up to now is 22.9 secs Computing kpt #: 127 total cpu time spent up to now is 23.0 secs Computing kpt #: 128 total cpu time spent up to now is 23.1 secs Computing kpt #: 129 total cpu time spent up to now is 23.3 secs Computing kpt #: 130 total cpu time spent up to now is 23.4 secs Computing kpt #: 131 total cpu time spent up to now is 23.7 secs Computing kpt #: 132 total cpu time spent up to now is 23.9 secs Computing kpt #: 133 total cpu time spent up to now is 24.0 secs Computing kpt #: 134 total cpu time spent up to now is 24.2 secs Computing kpt #: 135 total cpu time spent up to now is 24.3 secs Computing kpt #: 136 total cpu time spent up to now is 24.5 secs Computing kpt #: 137 total cpu time spent up to now is 24.6 secs Computing kpt #: 138 total cpu time spent up to now is 24.7 secs Computing kpt #: 139 total cpu time spent up to now is 24.9 secs Computing kpt #: 140 total cpu time spent up to now is 25.0 secs Computing kpt #: 141 total cpu time spent up to now is 25.2 secs Computing kpt #: 142 total cpu time spent up to now is 25.3 secs Computing kpt #: 143 total cpu time spent up to now is 25.4 secs Computing kpt #: 144 total cpu time spent up to now is 25.6 secs Computing kpt #: 145 total cpu time spent up to now is 25.7 secs Computing kpt #: 146 total cpu time spent up to now is 25.8 secs Computing kpt #: 147 total cpu time spent up to now is 26.0 secs Computing kpt #: 148 total cpu time spent up to now is 26.1 secs Computing kpt #: 149 total cpu time spent up to now is 26.2 secs Computing kpt #: 150 total cpu time spent up to now is 26.4 secs Computing kpt #: 151 total cpu time spent up to now is 26.5 secs Computing kpt #: 152 total cpu time spent up to now is 26.7 secs Computing kpt #: 153 total cpu time spent up to now is 26.8 secs Computing kpt #: 154 total cpu time spent up to now is 26.9 secs Computing kpt #: 155 total cpu time spent up to now is 27.1 secs Computing kpt #: 156 total cpu time spent up to now is 27.2 secs Computing kpt #: 157 total cpu time spent up to now is 27.4 secs Computing kpt #: 158 total cpu time spent up to now is 27.5 secs Computing kpt #: 159 total cpu time spent up to now is 27.7 secs Computing kpt #: 160 total cpu time spent up to now is 27.9 secs Computing kpt #: 161 total cpu time spent up to now is 28.1 secs Computing kpt #: 162 total cpu time spent up to now is 28.4 secs Computing kpt #: 163 total cpu time spent up to now is 28.6 secs Computing kpt #: 164 total cpu time spent up to now is 28.8 secs Computing kpt #: 165 total cpu time spent up to now is 29.1 secs Computing kpt #: 166 total cpu time spent up to now is 29.3 secs Computing kpt #: 167 total cpu time spent up to now is 29.5 secs Computing kpt #: 168 total cpu time spent up to now is 29.6 secs Computing kpt #: 169 total cpu time spent up to now is 29.8 secs Computing kpt #: 170 total cpu time spent up to now is 30.0 secs Computing kpt #: 171 total cpu time spent up to now is 30.2 secs Computing kpt #: 172 total cpu time spent up to now is 30.4 secs Computing kpt #: 173 total cpu time spent up to now is 30.6 secs Computing kpt #: 174 total cpu time spent up to now is 30.8 secs Computing kpt #: 175 total cpu time spent up to now is 31.0 secs Computing kpt #: 176 total cpu time spent up to now is 31.2 secs Computing kpt #: 177 total cpu time spent up to now is 31.5 secs Computing kpt #: 178 total cpu time spent up to now is 31.7 secs Computing kpt #: 179 total cpu time spent up to now is 32.0 secs Computing kpt #: 180 total cpu time spent up to now is 32.3 secs Computing kpt #: 181 total cpu time spent up to now is 32.6 secs Computing kpt #: 182 total cpu time spent up to now is 32.8 secs Computing kpt #: 183 total cpu time spent up to now is 33.0 secs Computing kpt #: 184 total cpu time spent up to now is 33.2 secs Computing kpt #: 185 total cpu time spent up to now is 33.4 secs Computing kpt #: 186 total cpu time spent up to now is 33.6 secs Computing kpt #: 187 total cpu time spent up to now is 33.8 secs Computing kpt #: 188 total cpu time spent up to now is 34.0 secs Computing kpt #: 189 total cpu time spent up to now is 34.2 secs Computing kpt #: 190 total cpu time spent up to now is 34.4 secs Computing kpt #: 191 total cpu time spent up to now is 34.7 secs Computing kpt #: 192 total cpu time spent up to now is 34.9 secs Computing kpt #: 193 total cpu time spent up to now is 35.1 secs Computing kpt #: 194 total cpu time spent up to now is 35.3 secs Computing kpt #: 195 total cpu time spent up to now is 35.6 secs Computing kpt #: 196 total cpu time spent up to now is 35.8 secs Computing kpt #: 197 total cpu time spent up to now is 36.1 secs Computing kpt #: 198 total cpu time spent up to now is 36.3 secs Computing kpt #: 199 total cpu time spent up to now is 36.7 secs Computing kpt #: 200 total cpu time spent up to now is 36.8 secs Computing kpt #: 201 total cpu time spent up to now is 37.0 secs Computing kpt #: 202 total cpu time spent up to now is 37.1 secs Computing kpt #: 203 total cpu time spent up to now is 37.3 secs Computing kpt #: 204 total cpu time spent up to now is 37.4 secs Computing kpt #: 205 total cpu time spent up to now is 37.6 secs Computing kpt #: 206 total cpu time spent up to now is 37.7 secs Computing kpt #: 207 total cpu time spent up to now is 37.8 secs Computing kpt #: 208 total cpu time spent up to now is 38.0 secs Computing kpt #: 209 total cpu time spent up to now is 38.3 secs Computing kpt #: 210 total cpu time spent up to now is 38.4 secs Computing kpt #: 211 total cpu time spent up to now is 38.5 secs Computing kpt #: 212 total cpu time spent up to now is 38.8 secs Computing kpt #: 213 total cpu time spent up to now is 39.0 secs Computing kpt #: 214 total cpu time spent up to now is 39.2 secs Computing kpt #: 215 total cpu time spent up to now is 39.4 secs Computing kpt #: 216 total cpu time spent up to now is 39.6 secs Computing kpt #: 217 total cpu time spent up to now is 39.8 secs Computing kpt #: 218 total cpu time spent up to now is 40.0 secs Computing kpt #: 219 total cpu time spent up to now is 40.2 secs Computing kpt #: 220 total cpu time spent up to now is 40.4 secs Computing kpt #: 221 total cpu time spent up to now is 40.6 secs Computing kpt #: 222 total cpu time spent up to now is 40.8 secs Computing kpt #: 223 total cpu time spent up to now is 41.0 secs Computing kpt #: 224 total cpu time spent up to now is 41.2 secs Computing kpt #: 225 total cpu time spent up to now is 41.4 secs Computing kpt #: 226 total cpu time spent up to now is 41.6 secs Computing kpt #: 227 total cpu time spent up to now is 41.8 secs Computing kpt #: 228 total cpu time spent up to now is 42.0 secs Computing kpt #: 229 total cpu time spent up to now is 42.3 secs Computing kpt #: 230 total cpu time spent up to now is 42.5 secs Computing kpt #: 231 total cpu time spent up to now is 42.7 secs Computing kpt #: 232 total cpu time spent up to now is 42.9 secs Computing kpt #: 233 total cpu time spent up to now is 43.2 secs Computing kpt #: 234 total cpu time spent up to now is 43.4 secs Computing kpt #: 235 total cpu time spent up to now is 43.7 secs Computing kpt #: 236 total cpu time spent up to now is 44.0 secs Computing kpt #: 237 total cpu time spent up to now is 44.3 secs Computing kpt #: 238 total cpu time spent up to now is 44.6 secs Computing kpt #: 239 total cpu time spent up to now is 45.0 secs Computing kpt #: 240 total cpu time spent up to now is 45.3 secs Computing kpt #: 241 total cpu time spent up to now is 45.6 secs Computing kpt #: 242 total cpu time spent up to now is 45.9 secs Computing kpt #: 243 total cpu time spent up to now is 46.3 secs Computing kpt #: 244 total cpu time spent up to now is 46.6 secs Computing kpt #: 245 total cpu time spent up to now is 46.9 secs Computing kpt #: 246 total cpu time spent up to now is 47.1 secs Computing kpt #: 247 total cpu time spent up to now is 47.3 secs Computing kpt #: 248 total cpu time spent up to now is 47.5 secs Computing kpt #: 249 total cpu time spent up to now is 47.7 secs Computing kpt #: 250 total cpu time spent up to now is 47.8 secs Computing kpt #: 251 total cpu time spent up to now is 48.0 secs Computing kpt #: 252 total cpu time spent up to now is 48.2 secs Computing kpt #: 253 total cpu time spent up to now is 48.3 secs Computing kpt #: 254 total cpu time spent up to now is 48.5 secs Computing kpt #: 255 total cpu time spent up to now is 48.6 secs Computing kpt #: 256 total cpu time spent up to now is 48.8 secs Computing kpt #: 257 total cpu time spent up to now is 48.9 secs Computing kpt #: 258 total cpu time spent up to now is 49.1 secs Computing kpt #: 259 total cpu time spent up to now is 49.2 secs Computing kpt #: 260 total cpu time spent up to now is 49.4 secs Computing kpt #: 261 total cpu time spent up to now is 49.5 secs Computing kpt #: 262 total cpu time spent up to now is 49.7 secs Computing kpt #: 263 total cpu time spent up to now is 49.8 secs Computing kpt #: 264 total cpu time spent up to now is 50.0 secs Computing kpt #: 265 total cpu time spent up to now is 50.2 secs Computing kpt #: 266 total cpu time spent up to now is 50.3 secs Computing kpt #: 267 total cpu time spent up to now is 50.5 secs Computing kpt #: 268 total cpu time spent up to now is 50.6 secs Computing kpt #: 269 total cpu time spent up to now is 50.8 secs Computing kpt #: 270 total cpu time spent up to now is 50.9 secs Computing kpt #: 271 total cpu time spent up to now is 51.1 secs Computing kpt #: 272 total cpu time spent up to now is 51.3 secs Computing kpt #: 273 total cpu time spent up to now is 51.4 secs Computing kpt #: 274 total cpu time spent up to now is 51.6 secs Computing kpt #: 275 total cpu time spent up to now is 51.8 secs Computing kpt #: 276 total cpu time spent up to now is 51.9 secs Computing kpt #: 277 total cpu time spent up to now is 52.1 secs Computing kpt #: 278 total cpu time spent up to now is 52.2 secs Computing kpt #: 279 total cpu time spent up to now is 52.4 secs Computing kpt #: 280 total cpu time spent up to now is 52.5 secs Computing kpt #: 281 total cpu time spent up to now is 52.7 secs Computing kpt #: 282 total cpu time spent up to now is 52.8 secs Computing kpt #: 283 total cpu time spent up to now is 53.0 secs Computing kpt #: 284 total cpu time spent up to now is 53.2 secs Computing kpt #: 285 total cpu time spent up to now is 53.3 secs Computing kpt #: 286 total cpu time spent up to now is 53.5 secs Computing kpt #: 287 total cpu time spent up to now is 53.6 secs Computing kpt #: 288 total cpu time spent up to now is 53.8 secs Computing kpt #: 289 total cpu time spent up to now is 53.9 secs Computing kpt #: 290 total cpu time spent up to now is 54.1 secs Computing kpt #: 291 total cpu time spent up to now is 54.2 secs Computing kpt #: 292 total cpu time spent up to now is 54.4 secs Computing kpt #: 293 total cpu time spent up to now is 54.6 secs Computing kpt #: 294 total cpu time spent up to now is 54.7 secs Computing kpt #: 295 total cpu time spent up to now is 54.9 secs Computing kpt #: 296 total cpu time spent up to now is 55.0 secs Computing kpt #: 297 total cpu time spent up to now is 55.2 secs Computing kpt #: 298 total cpu time spent up to now is 55.3 secs Computing kpt #: 299 total cpu time spent up to now is 55.4 secs Computing kpt #: 300 total cpu time spent up to now is 55.6 secs Computing kpt #: 301 total cpu time spent up to now is 55.7 secs Computing kpt #: 302 total cpu time spent up to now is 55.8 secs Computing kpt #: 303 total cpu time spent up to now is 56.0 secs Computing kpt #: 304 total cpu time spent up to now is 56.1 secs Computing kpt #: 305 total cpu time spent up to now is 56.2 secs Computing kpt #: 306 total cpu time spent up to now is 56.4 secs Computing kpt #: 307 total cpu time spent up to now is 56.5 secs Computing kpt #: 308 total cpu time spent up to now is 56.6 secs Computing kpt #: 309 total cpu time spent up to now is 56.7 secs Computing kpt #: 310 total cpu time spent up to now is 56.9 secs Computing kpt #: 311 total cpu time spent up to now is 57.0 secs Computing kpt #: 312 total cpu time spent up to now is 57.2 secs Computing kpt #: 313 total cpu time spent up to now is 57.5 secs Computing kpt #: 314 total cpu time spent up to now is 57.7 secs Computing kpt #: 315 total cpu time spent up to now is 57.9 secs Computing kpt #: 316 total cpu time spent up to now is 58.2 secs Computing kpt #: 317 total cpu time spent up to now is 58.4 secs Computing kpt #: 318 total cpu time spent up to now is 58.5 secs Computing kpt #: 319 total cpu time spent up to now is 58.7 secs Computing kpt #: 320 total cpu time spent up to now is 58.9 secs Computing kpt #: 321 total cpu time spent up to now is 59.1 secs Computing kpt #: 322 total cpu time spent up to now is 59.3 secs Computing kpt #: 323 total cpu time spent up to now is 59.4 secs Computing kpt #: 324 total cpu time spent up to now is 59.6 secs Computing kpt #: 325 total cpu time spent up to now is 59.7 secs Computing kpt #: 326 total cpu time spent up to now is 59.9 secs Computing kpt #: 327 total cpu time spent up to now is 60.1 secs Computing kpt #: 328 total cpu time spent up to now is 60.2 secs Computing kpt #: 329 total cpu time spent up to now is 60.4 secs Computing kpt #: 330 total cpu time spent up to now is 60.5 secs Computing kpt #: 331 total cpu time spent up to now is 60.7 secs Computing kpt #: 332 total cpu time spent up to now is 60.8 secs Computing kpt #: 333 total cpu time spent up to now is 61.0 secs Computing kpt #: 334 total cpu time spent up to now is 61.2 secs Computing kpt #: 335 total cpu time spent up to now is 61.3 secs Computing kpt #: 336 total cpu time spent up to now is 61.5 secs Computing kpt #: 337 total cpu time spent up to now is 61.6 secs Computing kpt #: 338 total cpu time spent up to now is 61.8 secs Computing kpt #: 339 total cpu time spent up to now is 61.9 secs Computing kpt #: 340 total cpu time spent up to now is 62.1 secs Computing kpt #: 341 total cpu time spent up to now is 62.2 secs Computing kpt #: 342 total cpu time spent up to now is 62.4 secs Computing kpt #: 343 total cpu time spent up to now is 62.5 secs Computing kpt #: 344 total cpu time spent up to now is 62.7 secs Computing kpt #: 345 total cpu time spent up to now is 62.8 secs Computing kpt #: 346 total cpu time spent up to now is 63.0 secs Computing kpt #: 347 total cpu time spent up to now is 63.1 secs Computing kpt #: 348 total cpu time spent up to now is 63.3 secs Computing kpt #: 349 total cpu time spent up to now is 63.4 secs ethr = 3.13E-08, avg # of iterations = 20.1 total cpu time spent up to now is 63.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1157 PWs) bands (ev): -9.6625 -9.6625 0.3126 0.3126 0.6249 0.6249 0.6249 0.6249 0.6264 0.6264 1.8953 1.8953 1.8954 1.8954 1.8970 1.8970 7.1161 7.1161 7.1205 7.1205 7.1205 7.1205 9.0761 9.0761 9.0761 9.0761 15.8455 15.8455 15.8600 15.8600 15.8600 15.8600 20.6763 20.6763 20.6850 20.6850 20.6850 20.6850 24.7135 24.7135 k = 0.0068-0.0048 0.0083 ( 1173 PWs) bands (ev): -9.6618 -9.6618 0.2807 0.2807 0.6188 0.6188 0.6198 0.6198 0.6576 0.6576 1.8966 1.8966 1.9006 1.9006 1.9017 1.9017 7.1083 7.1083 7.1207 7.1207 7.1232 7.1232 9.0742 9.0742 9.0871 9.0871 15.8430 15.8430 15.8570 15.8570 15.8579 15.8579 20.6696 20.6696 20.6820 20.6820 20.6863 20.6863 24.7158 24.7158 k = 0.0135-0.0096 0.0166 ( 1177 PWs) bands (ev): -9.6594 -9.6594 0.2081 0.2081 0.6012 0.6012 0.6022 0.6022 0.7319 0.7319 1.8994 1.8994 1.9162 1.9162 1.9172 1.9172 7.0786 7.0786 7.1292 7.1292 7.1321 7.1321 9.0687 9.0687 9.1194 9.1194 15.8351 15.8351 15.8487 15.8487 15.8519 15.8519 20.6393 20.6393 20.6848 20.6848 20.6902 20.6902 24.7228 24.7228 k = 0.0203-0.0143 0.0248 ( 1177 PWs) bands (ev): -9.6555 -9.6555 0.1198 0.1198 0.5729 0.5729 0.5738 0.5738 0.8231 0.8231 1.9039 1.9039 1.9414 1.9414 1.9423 1.9423 7.0309 7.0309 7.1438 7.1438 7.1467 7.1467 9.0597 9.0597 9.1713 9.1713 15.8207 15.8207 15.8363 15.8363 15.8419 15.8419 20.5891 20.5891 20.6913 20.6913 20.6969 20.6969 24.7345 24.7345 k = 0.0270-0.0191 0.0331 ( 1177 PWs) bands (ev): -9.6500 -9.6500 0.0255 0.0255 0.5349 0.5349 0.5358 0.5358 0.9214 0.9214 1.9101 1.9101 1.9748 1.9748 1.9756 1.9756 6.9678 6.9678 7.1643 7.1643 7.1671 7.1671 9.0469 9.0469 9.2402 9.2402 15.7987 15.7987 15.8209 15.8209 15.8281 15.8281 20.5224 20.5224 20.7005 20.7005 20.7062 20.7062 24.7509 24.7509 k = 0.0338-0.0239 0.0414 ( 1177 PWs) bands (ev): -9.6429 -9.6429 -0.0711 -0.0711 0.4888 0.4888 0.4895 0.4895 1.0232 1.0232 1.9182 1.9182 2.0153 2.0153 2.0160 2.0160 6.8920 6.8920 7.1905 7.1905 7.1933 7.1933 9.0304 9.0304 9.3234 9.3234 15.7694 15.7694 15.8024 15.8024 15.8105 15.8105 20.4421 20.4421 20.7124 20.7124 20.7181 20.7181 24.7720 24.7720 k = 0.0405-0.0287 0.0497 ( 1177 PWs) bands (ev): -9.6343 -9.6343 -0.1685 -0.1685 0.4357 0.4357 0.4364 0.4364 1.1270 1.1270 1.9280 1.9280 2.0615 2.0615 2.0621 2.0621 6.8062 6.8062 7.2223 7.2223 7.2251 7.2251 9.0100 9.0100 9.4183 9.4183 15.7332 15.7332 15.7806 15.7806 15.7892 15.7892 20.3516 20.3516 20.7269 20.7269 20.7326 20.7326 24.7978 24.7978 k = 0.0473-0.0334 0.0579 ( 1177 PWs) bands (ev): -9.6241 -9.6241 -0.2662 -0.2662 0.3770 0.3770 0.3775 0.3775 1.2322 1.2322 1.9396 1.9396 2.1124 2.1124 2.1128 2.1128 6.7125 6.7125 7.2596 7.2596 7.2624 7.2624 8.9856 8.9856 9.5226 9.5226 15.6905 15.6905 15.7554 15.7554 15.7642 15.7642 20.2539 20.2539 20.7438 20.7438 20.7495 20.7495 24.8281 24.8733 k = 0.0541-0.0382 0.0662 ( 1177 PWs) bands (ev): -9.6124 -9.6124 -0.3635 -0.3635 0.3136 0.3136 0.3140 0.3140 1.3383 1.3383 1.9530 1.9530 2.1669 2.1669 2.1672 2.1672 6.6128 6.6128 7.3024 7.3024 7.3052 7.3052 8.9572 8.9572 9.6346 9.6346 15.6415 15.6415 15.7268 15.7268 15.7358 15.7358 20.1515 20.1515 20.7631 20.7631 20.7688 20.7688 24.8631 24.8831 k = 0.0608-0.0430 0.0745 ( 1173 PWs) bands (ev): -9.5991 -9.5991 -0.4604 -0.4604 0.2464 0.2464 0.2467 0.2467 1.4450 1.4450 1.9682 1.9682 2.2243 2.2243 2.2244 2.2244 6.5086 6.5086 7.3505 7.3505 7.3532 7.3532 8.9245 8.9245 9.7528 9.7528 15.5870 15.5870 15.6951 15.6951 15.7040 15.7040 20.0472 20.0472 20.7848 20.7848 20.7904 20.7904 24.8931 24.8931 k = 0.0676-0.0478 0.0828 ( 1173 PWs) bands (ev): -9.5843 -9.5843 -0.5565 -0.5565 0.1762 0.1762 0.1764 0.1764 1.5523 1.5523 1.9851 1.9851 2.2838 2.2838 2.2839 2.2839 6.4009 6.4009 7.4036 7.4036 7.4063 7.4063 8.8875 8.8875 9.8759 9.8759 15.5260 15.5260 15.6601 15.6601 15.6691 15.6691 19.9427 19.9427 20.8087 20.8087 20.8143 20.8143 24.9033 24.9033 k = 0.0743-0.0526 0.0910 ( 1165 PWs) bands (ev): -9.5680 -9.5680 -0.6518 -0.6518 0.1035 0.1035 0.1037 0.1037 1.6600 1.6600 2.0038 2.0038 2.3452 2.3452 2.3453 2.3453 6.2908 6.2908 7.4617 7.4617 7.4643 7.4643 8.8460 8.8460 10.0031 10.0031 15.4600 15.4600 15.6223 15.6223 15.6313 15.6313 19.8400 19.8400 20.8347 20.8347 20.8403 20.8403 24.9139 24.9139 k = 0.0811-0.0573 0.0993 ( 1165 PWs) bands (ev): -9.5503 -9.5503 -0.7462 -0.7462 0.0290 0.0290 0.0291 0.0291 1.7679 1.7679 2.0243 2.0243 2.4078 2.4078 2.4080 2.4080 6.1790 6.1790 7.5245 7.5245 7.5271 7.5271 8.7999 8.7999 10.1335 10.1335 15.3880 15.3880 15.5815 15.5815 15.5905 15.5905 19.7406 19.7406 20.8628 20.8628 20.8683 20.8683 24.9249 24.9249 k = 0.0878-0.0621 0.1076 ( 1173 PWs) bands (ev): -9.5311 -9.5311 -0.8396 -0.8396 -0.0472 -0.0472 -0.0471 -0.0471 1.8758 1.8758 2.0465 2.0465 2.4714 2.4714 2.4718 2.4718 6.0659 6.0659 7.5917 7.5917 7.5943 7.5943 8.7490 8.7490 10.2665 10.2665 15.3107 15.3107 15.5382 15.5382 15.5471 15.5471 19.6457 19.6457 20.8927 20.8927 20.8983 20.8983 24.9361 24.9361 k = 0.0946-0.0669 0.1159 ( 1173 PWs) bands (ev): -9.5104 -9.5104 -0.9319 -0.9319 -0.1244 -0.1244 -0.1244 -0.1244 1.9839 1.9839 2.0705 2.0705 2.5359 2.5359 2.5363 2.5363 5.9523 5.9523 7.6633 7.6633 7.6658 7.6658 8.6932 8.6932 10.4017 10.4017 15.2285 15.2285 15.4924 15.4924 15.5013 15.5013 19.5566 19.5566 20.9246 20.9246 20.9301 20.9301 24.9476 24.9476 k = 0.1014-0.0717 0.1241 ( 1165 PWs) bands (ev): -9.4882 -9.4882 -1.0230 -1.0230 -0.2025 -0.2025 -0.2025 -0.2025 2.0921 2.0921 2.0963 2.0963 2.6011 2.6011 2.6017 2.6017 5.8384 5.8384 7.7390 7.7390 7.7415 7.7415 8.6325 8.6325 10.5388 10.5388 15.1418 15.1418 15.4447 15.4447 15.4536 15.4536 19.4740 19.4740 20.9583 20.9583 20.9637 20.9637 24.9592 24.9592 k = 0.1081-0.0764 0.1324 ( 1173 PWs) bands (ev): -9.4647 -9.4647 -1.1130 -1.1130 -0.2813 -0.2813 -0.2812 -0.2812 2.1238 2.1238 2.2002 2.2002 2.6668 2.6668 2.6675 2.6675 5.7245 5.7245 7.8184 7.8184 7.8208 7.8208 8.5664 8.5664 10.6772 10.6772 15.0504 15.0504 15.3948 15.3948 15.4036 15.4036 19.3988 19.3988 20.9935 20.9935 20.9989 20.9989 24.9707 24.9707 k = 0.1149-0.0812 0.1407 ( 1173 PWs) bands (ev): -9.4398 -9.4398 -1.2016 -1.2016 -0.3604 -0.3604 -0.3603 -0.3603 2.1530 2.1530 2.3083 2.3083 2.7331 2.7331 2.7338 2.7338 5.6109 5.6109 7.9013 7.9013 7.9037 7.9037 8.4955 8.4955 10.8168 10.8168 14.9547 14.9547 15.3431 15.3431 15.3519 15.3519 19.3316 19.3316 21.0303 21.0303 21.0357 21.0357 24.9819 24.9819 k = 0.1216-0.0860 0.1490 ( 1160 PWs) bands (ev): -9.4135 -9.4135 -1.2888 -1.2888 -0.4397 -0.4397 -0.4396 -0.4396 2.1840 2.1840 2.4165 2.4165 2.7999 2.7999 2.8007 2.8007 5.4978 5.4978 7.9876 7.9876 7.9900 7.9900 8.4196 8.4196 10.9573 10.9573 14.8554 14.8554 15.2903 15.2903 15.2990 15.2990 19.2731 19.2731 21.0686 21.0686 21.0740 21.0740 24.9927 24.9927 k = 0.1284-0.0908 0.1572 ( 1160 PWs) bands (ev): -9.3859 -9.3859 -1.3746 -1.3746 -0.5191 -0.5191 -0.5189 -0.5189 2.2167 2.2167 2.5242 2.5242 2.8670 2.8670 2.8679 2.8679 5.3854 5.3854 8.0768 8.0768 8.0791 8.0791 8.3385 8.3385 11.0985 11.0985 14.7518 14.7518 15.2359 15.2359 15.2445 15.2445 19.2234 19.2234 21.1083 21.1083 21.1136 21.1136 25.0027 25.0027 k = 0.1351-0.0956 0.1655 ( 1164 PWs) bands (ev): -9.3569 -9.3569 -1.4590 -1.4590 -0.5983 -0.5983 -0.5981 -0.5981 2.2511 2.2511 2.6317 2.6317 2.9345 2.9345 2.9355 2.9355 5.2738 5.2738 8.1686 8.1686 8.1709 8.1709 8.2523 8.2523 11.2401 11.2401 14.6442 14.6442 15.1805 15.1805 15.1891 15.1891 19.1828 19.1828 21.1492 21.1492 21.1546 21.1546 25.0116 25.0116 k = 0.1419-0.1003 0.1738 ( 1164 PWs) bands (ev): -9.3268 -9.3268 -1.5418 -1.5418 -0.6773 -0.6773 -0.6770 -0.6770 2.2873 2.2873 2.7388 2.7388 3.0024 3.0024 3.0035 3.0035 5.1632 5.1632 8.1612 8.1612 8.2626 8.2626 8.2649 8.2649 11.3821 11.3821 14.5337 14.5337 15.1244 15.1244 15.1329 15.1329 19.1519 19.1519 21.1914 21.1914 21.1967 21.1967 25.0193 25.0961 k = 0.1486-0.1051 0.1821 ( 1164 PWs) bands (ev): -9.2954 -9.2954 -1.6231 -1.6231 -0.7559 -0.7559 -0.7556 -0.7556 2.3251 2.3251 2.8456 2.8456 3.0707 3.0707 3.0719 3.0719 5.0538 5.0538 8.0652 8.0652 8.3587 8.3587 8.3609 8.3609 11.5242 11.5242 14.4200 14.4200 15.0679 15.0679 15.0764 15.0764 19.1305 19.1305 21.2346 21.2346 21.2398 21.2398 25.0174 25.0174 k = 0.1554-0.1099 0.1903 ( 1164 PWs) bands (ev): -9.2627 -9.2627 -1.7027 -1.7027 -0.8340 -0.8340 -0.8337 -0.8337 2.3646 2.3646 2.9520 2.9520 3.1395 3.1395 3.1408 3.1408 4.9455 4.9455 7.9645 7.9645 8.4563 8.4563 8.4585 8.4585 11.6664 11.6664 14.3034 14.3034 15.0113 15.0113 15.0197 15.0197 19.1190 19.1190 21.2788 21.2788 21.2840 21.2840 24.9382 24.9382 k = 0.1622-0.1147 0.1986 ( 1164 PWs) bands (ev): -9.2290 -9.2290 -1.7807 -1.7807 -0.9115 -0.9115 -0.9112 -0.9112 2.4058 2.4058 3.0578 3.0578 3.2087 3.2087 3.2101 3.2101 4.8386 4.8386 7.8593 7.8593 8.5552 8.5552 8.5574 8.5574 11.8085 11.8085 14.1841 14.1841 14.9550 14.9550 14.9633 14.9633 19.1173 19.1173 21.3239 21.3239 21.3291 21.3291 24.8586 24.8586 k = 0.1689-0.1194 0.2069 ( 1164 PWs) bands (ev): -9.1941 -9.1941 -1.8569 -1.8569 -0.9884 -0.9884 -0.9880 -0.9880 2.4487 2.4487 3.1630 3.1630 3.2785 3.2785 3.2800 3.2800 4.7331 4.7331 7.7498 7.7498 8.6549 8.6549 8.6570 8.6570 11.9503 11.9503 14.0623 14.0623 14.8991 14.8991 14.9074 14.9074 19.1254 19.1254 21.3699 21.3699 21.3751 21.3751 24.7789 24.7789 k = 0.1757-0.1242 0.2152 ( 1168 PWs) bands (ev): -9.1582 -9.1582 -1.9313 -1.9313 -1.0645 -1.0645 -1.0641 -1.0641 2.4933 2.4933 3.2674 3.2674 3.3487 3.3487 3.3503 3.3503 4.6290 4.6290 7.6362 7.6362 8.7549 8.7549 8.7570 8.7570 12.0918 12.0918 13.9382 13.9382 14.8442 14.8442 14.8524 14.8524 19.1430 19.1430 21.4164 21.4164 21.4216 21.4216 24.6992 24.6992 k = 0.1824-0.1290 0.2234 ( 1168 PWs) bands (ev): -9.1213 -9.1213 -2.0040 -2.0040 -1.1398 -1.1398 -1.1393 -1.1393 2.5394 2.5394 3.3710 3.3710 3.4196 3.4196 3.4212 3.4212 4.5264 4.5264 7.5189 7.5189 8.8549 8.8549 8.8570 8.8570 12.2329 12.2329 13.8119 13.8119 14.7906 14.7906 14.7987 14.7987 19.1705 19.1705 21.4637 21.4637 21.4689 21.4689 24.6197 24.6197 k = 0.1892-0.1338 0.2317 ( 1176 PWs) bands (ev): -9.0834 -9.0834 -2.0747 -2.0747 -1.2141 -1.2141 -1.2137 -1.2137 2.5872 2.5872 3.4736 3.4736 3.4910 3.4910 3.4928 3.4928 4.4254 4.4254 7.3983 7.3983 8.9543 8.9543 8.9564 8.9564 12.3734 12.3734 13.6837 13.6837 14.7387 14.7387 14.7467 14.7467 19.2074 19.2074 21.5114 21.5114 21.5166 21.5166 24.5403 24.5403 k = 0.1959-0.1386 0.2400 ( 1184 PWs) bands (ev): -9.0445 -9.0445 -2.1436 -2.1436 -1.2876 -1.2876 -1.2871 -1.2871 2.6367 2.6367 3.5631 3.5631 3.5648 3.5648 3.5752 3.5752 4.3261 4.3261 7.2743 7.2743 9.0524 9.0524 9.0545 9.0545 12.5133 12.5133 13.5536 13.5536 14.6889 14.6889 14.6968 14.6968 19.2535 19.2535 21.5597 21.5597 21.5649 21.5649 24.4615 24.4615 k = 0.2027-0.1433 0.2483 ( 1184 PWs) bands (ev): -9.0048 -9.0048 -2.2104 -2.2104 -1.3599 -1.3599 -1.3595 -1.3595 2.6877 2.6877 3.6358 3.6358 3.6377 3.6377 3.6754 3.6754 4.2284 4.2284 7.1481 7.1481 9.1491 9.1491 9.1512 9.1512 12.6525 12.6525 13.4220 13.4220 14.6417 14.6417 14.6495 14.6495 19.3088 19.3088 21.6084 21.6084 21.6135 21.6135 24.3834 24.3834 k = 0.2095-0.1481 0.2565 ( 1176 PWs) bands (ev): -8.9643 -8.9643 -2.2752 -2.2752 -1.4312 -1.4312 -1.4307 -1.4307 2.7403 2.7403 3.7093 3.7093 3.7113 3.7113 3.7741 3.7741 4.1326 4.1326 7.0200 7.0200 9.2439 9.2439 9.2461 9.2461 12.7910 12.7910 13.2890 13.2890 14.5977 14.5977 14.6054 14.6054 19.3731 19.3731 21.6573 21.6573 21.6624 21.6624 24.3059 24.3059 k = 0.2162-0.1529 0.2648 ( 1176 PWs) bands (ev): -8.9230 -8.9230 -2.3379 -2.3379 -1.5014 -1.5014 -1.5009 -1.5009 2.7945 2.7945 3.7835 3.7835 3.7855 3.7855 3.8708 3.8708 4.0385 4.0385 6.8902 6.8902 9.3357 9.3357 9.3378 9.3378 12.9285 12.9285 13.1547 13.1547 14.5571 14.5571 14.5648 14.5648 19.4459 19.4459 21.7064 21.7064 21.7115 21.7115 24.2292 24.2292 k = 0.2230-0.1577 0.2731 ( 1176 PWs) bands (ev): -8.8811 -8.8811 -2.3984 -2.3984 -1.5704 -1.5704 -1.5698 -1.5698 2.8503 2.8503 3.8583 3.8583 3.8604 3.8604 3.9462 3.9462 3.9654 3.9654 6.7597 6.7597 9.4240 9.4240 9.4262 9.4262 13.0192 13.0192 13.0651 13.0651 14.5207 14.5207 14.5282 14.5282 19.5270 19.5270 21.7555 21.7555 21.7606 21.7606 24.1534 24.1534 k = 0.2297-0.1624 0.2814 ( 1188 PWs) bands (ev): -8.8387 -8.8387 -2.4570 -2.4570 -1.6384 -1.6384 -1.6378 -1.6378 2.9076 2.9076 3.8555 3.8555 3.9339 3.9339 3.9361 3.9361 4.0570 4.0570 6.6290 6.6290 9.5083 9.5083 9.5105 9.5105 12.8827 12.8827 13.2005 13.2005 14.4889 14.4889 14.4963 14.4963 19.6161 19.6161 21.8045 21.8045 21.8096 21.8096 24.0785 24.0785 k = 0.2365-0.1672 0.2896 ( 1188 PWs) bands (ev): -8.7956 -8.7956 -2.5131 -2.5131 -1.7049 -1.7049 -1.7043 -1.7043 2.9664 2.9664 3.7670 3.7670 4.0104 4.0104 4.0125 4.0125 4.1453 4.1453 6.4991 6.4991 9.5879 9.5879 9.5901 9.5901 12.7455 12.7455 13.3348 13.3348 14.4623 14.4623 14.4696 14.4696 19.7130 19.7130 21.8534 21.8534 21.8584 21.8584 24.0048 24.0048 k = 0.2432-0.1720 0.2979 ( 1180 PWs) bands (ev): -8.7521 -8.7521 -2.5669 -2.5669 -1.7700 -1.7700 -1.7695 -1.7695 3.0267 3.0267 3.6804 3.6804 4.0876 4.0876 4.0899 4.0899 4.2293 4.2293 6.3714 6.3714 9.6623 9.6623 9.6646 9.6646 12.6076 12.6076 13.4680 13.4680 14.4415 14.4415 14.4487 14.4487 19.8173 19.8173 21.9020 21.9020 21.9071 21.9071 23.9322 23.9322 k = 0.2500-0.1768 0.3062 ( 1180 PWs) bands (ev): -8.7083 -8.7083 -2.6185 -2.6185 -1.8338 -1.8338 -1.8333 -1.8333 3.0884 3.0884 3.5958 3.5958 4.1656 4.1656 4.1679 4.1679 4.3075 4.3075 6.2471 6.2471 9.7306 9.7306 9.7330 9.7330 12.4691 12.4691 13.5997 13.5997 14.4269 14.4269 14.4340 14.4340 19.9288 19.9288 21.9501 21.9501 21.9551 21.9551 23.8609 23.8609 k = 0.2568-0.1816 0.3145 ( 1180 PWs) bands (ev): -8.6641 -8.6641 -2.6676 -2.6676 -1.8963 -1.8963 -1.8957 -1.8957 3.1516 3.1516 3.5131 3.5131 4.2444 4.2444 4.2468 4.2468 4.3784 4.3784 6.1283 6.1283 9.7923 9.7923 9.7948 9.7948 12.3302 12.3302 13.7300 13.7300 14.4192 14.4192 14.4261 14.4261 20.0470 20.0470 21.9976 21.9976 22.0026 22.0026 23.7908 23.7908 k = 0.2635-0.1863 0.3227 ( 1180 PWs) bands (ev): -8.6197 -8.6197 -2.7144 -2.7144 -1.9573 -1.9573 -1.9568 -1.9568 3.2162 3.2162 3.4325 3.4325 4.3241 4.3241 4.3265 4.3265 4.4395 4.4395 6.0176 6.0176 9.8469 9.8469 9.8494 9.8494 12.1910 12.1910 13.8587 13.8587 14.4186 14.4186 14.4253 14.4253 20.1717 20.1717 22.0443 22.0443 22.0493 22.0493 23.7222 23.7222 k = 0.2703-0.1911 0.3310 ( 1180 PWs) bands (ev): -8.5753 -8.5753 -2.7586 -2.7586 -2.0169 -2.0169 -2.0163 -2.0163 3.2821 3.2821 3.3539 3.3539 4.4046 4.4046 4.4070 4.4070 4.4877 4.4877 5.9185 5.9185 9.8938 9.8938 9.8964 9.8964 12.0516 12.0516 13.9859 13.9859 14.4256 14.4256 14.4322 14.4322 20.3025 20.3025 22.0902 22.0902 22.0952 22.0952 23.6549 23.6549 k = 0.2770-0.1959 0.3393 ( 1180 PWs) bands (ev): -8.5307 -8.5307 -2.8004 -2.8004 -2.0750 -2.0750 -2.0744 -2.0744 3.2774 3.2774 3.3494 3.3494 4.4858 4.4858 4.4884 4.4884 4.5188 4.5188 5.8351 5.8351 9.9326 9.9326 9.9354 9.9354 11.9122 11.9122 14.1114 14.1114 14.4404 14.4404 14.4469 14.4469 20.4389 20.4389 22.1349 22.1349 22.1399 22.1399 23.5892 23.5892 k = 0.2838-0.2007 0.3476 ( 1172 PWs) bands (ev): -8.4863 -8.4863 -2.8397 -2.8397 -2.1316 -2.1316 -2.1310 -2.1310 3.2030 3.2030 3.4180 3.4180 4.5289 4.5289 4.5680 4.5680 4.5705 4.5705 5.7719 5.7719 9.9633 9.9633 9.9661 9.9661 11.7729 11.7729 14.2351 14.2351 14.4633 14.4633 14.4696 14.4696 20.5808 20.5808 22.1785 22.1785 22.1834 22.1834 23.5252 23.5252 k = 0.2905-0.2054 0.3558 ( 1172 PWs) bands (ev): -8.4420 -8.4420 -2.8764 -2.8764 -2.1867 -2.1867 -2.1861 -2.1861 3.1306 3.1306 3.4878 3.4878 4.5143 4.5143 4.6509 4.6509 4.6535 4.6535 5.7324 5.7324 9.9852 9.9852 9.9882 9.9882 11.6338 11.6338 14.3569 14.3569 14.4942 14.4942 14.5004 14.5004 20.7273 20.7273 22.2205 22.2205 22.2255 22.2255 23.4626 23.4626 k = 0.2973-0.2102 0.3641 ( 1172 PWs) bands (ev): -8.3979 -8.3979 -2.9106 -2.9106 -2.2403 -2.2403 -2.2397 -2.2397 3.0604 3.0604 3.5588 3.5588 4.4744 4.4744 4.7346 4.7346 4.7372 4.7372 5.7176 5.7176 9.9986 9.9986 10.0017 10.0017 11.4951 11.4951 14.4767 14.4767 14.5332 14.5332 14.5392 14.5392 20.8779 20.8779 22.2610 22.2610 22.2659 22.2659 23.4015 23.4015 k = 0.3041-0.2150 0.3724 ( 1172 PWs) bands (ev): -8.3543 -8.3543 -2.9421 -2.9421 -2.2922 -2.2922 -2.2916 -2.2916 2.9923 2.9923 3.6309 3.6309 4.4112 4.4112 4.8190 4.8190 4.8217 4.8217 5.7257 5.7257 10.0035 10.0035 10.0066 10.0066 11.3568 11.3568 14.5797 14.5797 14.5857 14.5857 14.5946 14.5946 21.0321 21.0321 22.2996 22.2996 22.3046 22.3046 23.3422 23.3422 k = 0.3108-0.2198 0.3807 ( 1172 PWs) bands (ev): -8.3110 -8.3110 -2.9710 -2.9710 -2.3426 -2.3426 -2.3420 -2.3420 2.9264 2.9264 3.7041 3.7041 4.3290 4.3290 4.9042 4.9042 4.9070 4.9070 5.7525 5.7525 9.9999 9.9999 10.0032 10.0032 11.2191 11.2191 14.6339 14.6339 14.6396 14.6396 14.7101 14.7101 21.1890 21.1890 22.3362 22.3362 22.3412 22.3412 23.2845 23.2845 k = 0.3176-0.2246 0.3889 ( 1172 PWs) bands (ev): -8.2684 -8.2684 -2.9973 -2.9973 -2.3914 -2.3914 -2.3907 -2.3907 2.8627 2.8627 3.7783 3.7783 4.2324 4.2324 4.9902 4.9902 4.9930 4.9930 5.7936 5.7936 9.9883 9.9883 9.9917 9.9917 11.0821 11.0821 14.6949 14.6949 14.7006 14.7006 14.8233 14.8233 21.3474 21.3474 22.3706 22.3706 22.3755 22.3755 23.2287 23.2287 k = 0.3243-0.2293 0.3972 ( 1176 PWs) bands (ev): -8.2264 -8.2264 -3.0211 -3.0211 -2.4385 -2.4385 -2.4379 -2.4379 2.8012 2.8012 3.8535 3.8535 4.1257 4.1257 5.0768 5.0768 5.0796 5.0796 5.8446 5.8446 9.9688 9.9688 9.9723 9.9723 10.9460 10.9460 14.7624 14.7624 14.7679 14.7679 14.9341 14.9341 21.5056 21.5056 22.4026 22.4026 22.4075 22.4075 23.1746 23.1746 k = 0.3311-0.2341 0.4055 ( 1176 PWs) bands (ev): -8.1851 -8.1851 -3.0422 -3.0422 -2.4840 -2.4840 -2.4834 -2.4834 2.7418 2.7418 3.9296 3.9296 4.0122 4.0122 5.1640 5.1640 5.1669 5.1669 5.9027 5.9027 9.9422 9.9422 9.9457 9.9457 10.8109 10.8109 14.8358 14.8358 14.8411 14.8411 15.0424 15.0424 21.6613 21.6613 22.4320 22.4320 22.4369 22.4369 23.1223 23.1223 k = 0.3378-0.2389 0.4138 ( 1176 PWs) bands (ev): -8.1447 -8.1447 -3.0607 -3.0607 -2.5278 -2.5278 -2.5272 -2.5272 2.6847 2.6847 3.8946 3.8946 4.0064 4.0064 5.2519 5.2519 5.2548 5.2548 5.9654 5.9654 9.9087 9.9087 9.9123 9.9123 10.6769 10.6769 14.9142 14.9142 14.9195 14.9195 15.1480 15.1480 21.8104 21.8104 22.4587 22.4587 22.4635 22.4635 23.0718 23.0718 k = 0.3446-0.2437 0.4220 ( 1172 PWs) bands (ev): -8.1053 -8.1053 -3.0766 -3.0766 -2.5700 -2.5700 -2.5693 -2.5693 2.6299 2.6299 3.7748 3.7748 4.0839 4.0839 5.3403 5.3403 5.3432 5.3432 6.0309 6.0309 9.8688 9.8688 9.8726 9.8726 10.5442 10.5442 14.9971 14.9971 15.0023 15.0023 15.2509 15.2509 21.9470 21.9470 22.4824 22.4824 22.4872 22.4872 23.0232 23.0232 k = 0.3514-0.2484 0.4303 ( 1172 PWs) bands (ev): -8.0669 -8.0669 -3.0901 -3.0901 -2.6104 -2.6104 -2.6097 -2.6097 2.5773 2.5773 3.6539 3.6539 4.1620 4.1620 5.4292 5.4292 5.4322 5.4322 6.0978 6.0978 9.8232 9.8232 9.8271 9.8271 10.4130 10.4130 15.0837 15.0837 15.0888 15.0888 15.3508 15.3508 22.0601 22.0601 22.5031 22.5031 22.5079 22.5079 22.9766 22.9766 k = 0.3581-0.2532 0.4386 ( 1164 PWs) bands (ev): -8.0297 -8.0297 -3.1012 -3.1012 -2.6491 -2.6491 -2.6485 -2.6485 2.5269 2.5269 3.5332 3.5332 4.2406 4.2406 5.5185 5.5185 5.5215 5.5215 6.1654 6.1654 9.7728 9.7728 9.7767 9.7767 10.2834 10.2834 15.1736 15.1736 15.1785 15.1785 15.4480 15.4480 22.1373 22.1373 22.5207 22.5207 22.5255 22.5255 22.9320 22.9320 k = 0.3649-0.2580 0.4469 ( 1164 PWs) bands (ev): -7.9937 -7.9937 -3.1099 -3.1099 -2.6861 -2.6861 -2.6855 -2.6855 2.4789 2.4789 3.4137 3.4137 4.3195 4.3195 5.6081 5.6081 5.6111 5.6111 6.2326 6.2326 9.7172 9.7172 9.7212 9.7212 10.1556 10.1556 15.2653 15.2653 15.2702 15.2702 15.5418 15.5418 22.1691 22.1691 22.5351 22.5351 22.5399 22.5399 22.8892 22.8892 k = 0.3716-0.2628 0.4551 ( 1164 PWs) bands (ev): -7.9590 -7.9590 -3.1164 -3.1164 -2.7214 -2.7214 -2.7207 -2.7207 2.4331 2.4331 3.2960 3.2960 4.3984 4.3984 5.6979 5.6979 5.7010 5.7010 6.2990 6.2990 9.6574 9.6574 9.6614 9.6614 10.0298 10.0298 15.3585 15.3585 15.3633 15.3633 15.6322 15.6322 22.1575 22.1575 22.5464 22.5464 22.5511 22.5511 22.8484 22.8484 k = 0.3784-0.2676 0.4634 ( 1164 PWs) bands (ev): -7.9257 -7.9257 -3.1208 -3.1208 -2.7549 -2.7549 -2.7543 -2.7543 2.3896 2.3896 3.1808 3.1808 4.4773 4.4773 5.7879 5.7879 5.7910 5.7910 6.3641 6.3641 9.5938 9.5938 9.5979 9.5979 9.9062 9.9062 15.4524 15.4524 15.4572 15.4572 15.7191 15.7191 22.1142 22.1142 22.5545 22.5545 22.5592 22.5592 22.8095 22.8095 k = 0.3851-0.2723 0.4717 ( 1172 PWs) bands (ev): -7.8939 -7.8939 -3.1231 -3.1231 -2.7867 -2.7867 -2.7860 -2.7860 2.3484 2.3484 3.0685 3.0685 4.5560 4.5560 5.8778 5.8778 5.8809 5.8809 6.4275 6.4275 9.5271 9.5271 9.5312 9.5312 9.7851 9.7851 15.5461 15.5461 15.5509 15.5509 15.8025 15.8025 22.0517 22.0517 22.5596 22.5596 22.5643 22.5643 22.7726 22.7726 k = 0.3919-0.2771 0.4800 ( 1172 PWs) bands (ev): -7.8636 -7.8636 -3.1237 -3.1237 -2.8167 -2.8167 -2.8160 -2.8160 2.3095 2.3095 2.9597 2.9597 4.6342 4.6342 5.9676 5.9676 5.9708 5.9708 6.4889 6.4889 9.4576 9.4576 9.4618 9.4618 9.6668 9.6668 15.6393 15.6393 15.6440 15.6440 15.8821 15.8821 21.9790 21.9790 22.5619 22.5619 22.5666 22.5666 22.7378 22.7378 k = 0.3986-0.2819 0.4882 ( 1176 PWs) bands (ev): -7.8349 -7.8349 -3.1226 -3.1226 -2.8449 -2.8449 -2.8443 -2.8443 2.2729 2.2729 2.8548 2.8548 4.7116 4.7116 6.0570 6.0570 6.0602 6.0602 6.5478 6.5478 9.3858 9.3858 9.3900 9.3900 9.5515 9.5515 15.7310 15.7310 15.7358 15.7358 15.9578 15.9578 21.9015 21.9015 22.5616 22.5616 22.5662 22.5662 22.7050 22.7050 k = 0.4054-0.2867 0.4965 ( 1176 PWs) bands (ev): -7.8078 -7.8078 -3.1199 -3.1199 -2.8714 -2.8714 -2.8707 -2.8707 2.2387 2.2387 2.7544 2.7544 4.7879 4.7879 6.1459 6.1459 6.1491 6.1491 6.6043 6.6043 9.3124 9.3124 9.3167 9.3167 9.4396 9.4396 15.8207 15.8207 15.8254 15.8254 16.0295 16.0295 21.8231 21.8231 22.5588 22.5588 22.5635 22.5635 22.6742 22.6742 k = 0.4122-0.2914 0.5048 ( 1180 PWs) bands (ev): -7.7825 -7.7825 -3.1160 -3.1160 -2.8960 -2.8960 -2.8954 -2.8954 2.2067 2.2067 2.6586 2.6586 4.8629 4.8629 6.2339 6.2339 6.2372 6.2372 6.6579 6.6579 9.2376 9.2376 9.2420 9.2420 9.3315 9.3315 15.9075 15.9075 15.9123 15.9123 16.0970 16.0970 21.7457 21.7457 22.5536 22.5536 22.5583 22.5583 22.6456 22.6456 k = 0.4189-0.2962 0.5131 ( 1180 PWs) bands (ev): -7.7589 -7.7589 -3.1109 -3.1109 -2.9189 -2.9189 -2.9182 -2.9182 2.1772 2.1772 2.5681 2.5681 4.9360 4.9360 6.3209 6.3209 6.3242 6.3242 6.7084 6.7084 9.1623 9.1623 9.1667 9.1667 9.2275 9.2275 15.9911 15.9911 15.9958 15.9958 16.1602 16.1602 21.6710 21.6710 22.5470 22.5470 22.5517 22.5517 22.6190 22.6190 k = 0.4257-0.3010 0.5213 ( 1188 PWs) bands (ev): -7.7372 -7.7372 -3.1051 -3.1051 -2.9401 -2.9401 -2.9395 -2.9395 2.1497 2.1497 2.4831 2.4831 5.0069 5.0069 6.4064 6.4064 6.4097 6.4097 6.7557 6.7557 9.0868 9.0868 9.0913 9.0913 9.1282 9.1282 16.0706 16.0706 16.0754 16.0754 16.2189 16.2189 21.5999 21.5999 22.5389 22.5389 22.5437 22.5437 22.5943 22.5943 k = 0.4324-0.3058 0.5296 ( 1188 PWs) bands (ev): -7.7172 -7.7172 -3.0986 -3.0986 -2.9594 -2.9594 -2.9587 -2.9587 2.1249 2.1249 2.4040 2.4040 5.0750 5.0750 6.4900 6.4900 6.4933 6.4933 6.7996 6.7996 9.0117 9.0117 9.0164 9.0164 9.0342 9.0342 16.1456 16.1456 16.1503 16.1503 16.2731 16.2731 21.5333 21.5333 22.5299 22.5299 22.5347 22.5347 22.5720 22.5720 k = 0.4392-0.3106 0.5379 ( 1180 PWs) bands (ev): -7.6991 -7.6991 -3.0918 -3.0918 -2.9768 -2.9768 -2.9761 -2.9761 2.1023 2.1023 2.3312 2.3312 5.1401 5.1401 6.5712 6.5712 6.5745 6.5745 6.8398 6.8398 8.9375 8.9375 8.9428 8.9428 8.9466 8.9466 16.2154 16.2154 16.2202 16.2202 16.3226 16.3226 21.4716 21.4716 22.5203 22.5203 22.5252 22.5252 22.5518 22.5518 k = 0.4459-0.3153 0.5462 ( 1180 PWs) bands (ev): -7.6828 -7.6828 -3.0848 -3.0848 -2.9924 -2.9924 -2.9917 -2.9917 2.0822 2.0822 2.2651 2.2651 5.2009 5.2009 6.6491 6.6491 6.6524 6.6524 6.8762 6.8762 8.8619 8.8619 8.8686 8.8686 8.8713 8.8713 16.2794 16.2794 16.2843 16.2843 16.3672 16.3672 21.4155 21.4155 22.5103 22.5103 22.5153 22.5153 22.5337 22.5337 k = 0.4527-0.3201 0.5544 ( 1180 PWs) bands (ev): -7.6684 -7.6684 -3.0780 -3.0780 -3.0061 -3.0061 -3.0055 -3.0055 2.0644 2.0644 2.2058 2.2058 5.2571 5.2571 6.7229 6.7229 6.7262 6.7262 6.9087 6.9087 8.7879 8.7879 8.7992 8.7992 8.8027 8.8027 16.3373 16.3373 16.3422 16.3422 16.4069 16.4069 21.3652 21.3652 22.5004 22.5004 22.5057 22.5057 22.5178 22.5178 k = 0.4595-0.3249 0.5627 ( 1180 PWs) bands (ev): -7.6559 -7.6559 -3.0715 -3.0715 -3.0181 -3.0181 -3.0174 -3.0174 2.0489 2.0489 2.1538 2.1538 5.3079 5.3079 6.7916 6.7916 6.7949 6.7949 6.9371 6.9371 8.7210 8.7210 8.7347 8.7347 8.7384 8.7384 16.3884 16.3884 16.3934 16.3934 16.4415 16.4415 21.3210 21.3210 22.4910 22.4910 22.4964 22.4965 22.5041 22.5041 k = 0.4662-0.3297 0.5710 ( 1172 PWs) bands (ev): -7.6453 -7.6453 -3.0656 -3.0656 -3.0282 -3.0282 -3.0275 -3.0275 2.0359 2.0359 2.1093 2.1093 5.3528 5.3528 6.8541 6.8541 6.8574 6.8574 6.9614 6.9614 8.6627 8.6627 8.6761 8.6761 8.6797 8.6797 16.4324 16.4324 16.4375 16.4375 16.4711 16.4711 21.2833 21.2833 22.4823 22.4823 22.4881 22.4881 22.4926 22.4926 k = 0.4730-0.3344 0.5793 ( 1168 PWs) bands (ev): -7.6367 -7.6367 -3.0606 -3.0606 -3.0364 -3.0364 -3.0358 -3.0358 2.0252 2.0252 2.0724 2.0724 5.3907 5.3907 6.9087 6.9087 6.9120 6.9120 6.9814 6.9814 8.6136 8.6136 8.6246 8.6246 8.6281 8.6281 16.4691 16.4691 16.4744 16.4744 16.4954 16.4954 21.2521 21.2521 22.4747 22.4747 22.4809 22.4809 22.4833 22.4833 k = 0.4797-0.3392 0.5875 ( 1168 PWs) bands (ev): -7.6300 -7.6300 -3.0565 -3.0565 -3.0429 -3.0429 -3.0422 -3.0422 2.0169 2.0169 2.0435 2.0435 5.4210 5.4210 6.9537 6.9537 6.9569 6.9569 6.9971 6.9971 8.5740 8.5740 8.5823 8.5823 8.5853 8.5853 16.4976 16.4976 16.5032 16.5032 16.5146 16.5146 21.2277 21.2277 22.4685 22.4685 22.4749 22.4749 22.4761 22.4761 k = 0.4865-0.3440 0.5958 ( 1168 PWs) bands (ev): -7.6251 -7.6251 -3.0534 -3.0534 -3.0475 -3.0475 -3.0468 -3.0468 2.0109 2.0109 2.0228 2.0228 5.4431 5.4431 6.9874 6.9874 6.9904 6.9904 7.0085 7.0085 8.5446 8.5446 8.5510 8.5510 8.5531 8.5531 16.5179 16.5179 16.5239 16.5239 16.5286 16.5286 21.2102 21.2102 22.4638 22.4638 22.4706 22.4706 22.4710 22.4710 k = 0.4932-0.3488 0.6041 ( 1168 PWs) bands (ev): -7.6222 -7.6222 -3.0516 -3.0516 -3.0501 -3.0501 -3.0496 -3.0496 2.0074 2.0074 2.0103 2.0103 5.4566 5.4566 7.0083 7.0083 7.0104 7.0104 7.0161 7.0161 8.5259 8.5259 8.5323 8.5323 8.5330 8.5330 16.5296 16.5296 16.5364 16.5364 16.5375 16.5375 21.1997 21.1997 22.4609 22.4609 22.4679 22.4679 22.4680 22.4680 k = 0.5000-0.3536 0.6124 ( 1168 PWs) bands (ev): -7.6213 -7.6213 -3.0515 -3.0515 -3.0506 -3.0506 -3.0505 -3.0505 2.0062 2.0062 2.0062 2.0062 5.4611 5.4611 7.0154 7.0154 7.0155 7.0155 7.0205 7.0205 8.5195 8.5195 8.5262 8.5262 8.5262 8.5262 16.5334 16.5334 16.5406 16.5406 16.5406 16.5406 21.1962 21.1962 22.4600 22.4600 22.4669 22.4669 22.4670 22.4670 k = 0.5000-0.3536 0.6124 ( 1168 PWs) bands (ev): -7.6213 -7.6213 -3.0515 -3.0515 -3.0506 -3.0506 -3.0505 -3.0505 2.0062 2.0062 2.0062 2.0062 5.4611 5.4611 7.0154 7.0154 7.0155 7.0155 7.0205 7.0205 8.5195 8.5195 8.5262 8.5262 8.5262 8.5262 16.5334 16.5334 16.5406 16.5406 16.5406 16.5406 21.1962 21.1962 22.4600 22.4600 22.4669 22.4669 22.4670 22.4670 k = 0.4904-0.3468 0.6124 ( 1168 PWs) bands (ev): -7.6222 -7.6222 -3.0526 -3.0526 -3.0499 -3.0499 -3.0488 -3.0488 2.0081 2.0081 2.0096 2.0096 5.4565 5.4565 7.0066 7.0066 7.0101 7.0101 7.0180 7.0180 8.5236 8.5236 8.5312 8.5312 8.5366 8.5366 16.5296 16.5296 16.5364 16.5364 16.5374 16.5374 21.1997 21.1997 22.4608 22.4608 22.4673 22.4673 22.4688 22.4688 k = 0.4808-0.3400 0.6124 ( 1168 PWs) bands (ev): -7.6252 -7.6252 -3.0576 -3.0576 -3.0471 -3.0471 -3.0430 -3.0430 2.0140 2.0140 2.0200 2.0200 5.4427 5.4427 6.9792 6.9792 6.9895 6.9895 7.0176 7.0176 8.5280 8.5280 8.5510 8.5510 8.5700 8.5700 16.5178 16.5178 16.5239 16.5239 16.5280 16.5280 21.2104 21.2104 22.4618 22.4618 22.4690 22.4690 22.4748 22.4748 k = 0.4712-0.3332 0.6124 ( 1168 PWs) bands (ev): -7.6300 -7.6300 -3.0659 -3.0659 -3.0425 -3.0425 -3.0331 -3.0331 2.0238 2.0238 2.0373 2.0373 5.4195 5.4195 6.9342 6.9342 6.9579 6.9579 7.0178 7.0178 8.5337 8.5337 8.5830 8.5830 8.6240 8.6240 16.4976 16.4976 16.5033 16.5033 16.5131 16.5131 21.2281 21.2281 22.4614 22.4614 22.4730 22.4730 22.4855 22.4855 k = 0.4615-0.3264 0.6124 ( 1168 PWs) bands (ev): -7.6367 -7.6367 -3.0775 -3.0775 -3.0359 -3.0359 -3.0194 -3.0194 2.0375 2.0375 2.0612 2.0612 5.3868 5.3868 6.8742 6.8742 6.9184 6.9184 7.0182 7.0182 8.5414 8.5414 8.6247 8.6247 8.6951 8.6951 16.4689 16.4689 16.4745 16.4745 16.4928 16.4928 21.2528 21.2528 22.4600 22.4600 22.4789 22.4789 22.5007 22.5007 k = 0.4519-0.3196 0.6124 ( 1164 PWs) bands (ev): -7.6453 -7.6453 -3.0922 -3.0922 -3.0276 -3.0276 -3.0017 -3.0017 2.0551 2.0551 2.0920 2.0920 5.3445 5.3445 6.8013 6.8013 6.8745 6.8745 7.0187 7.0187 8.5513 8.5513 8.6740 8.6740 8.7801 8.7801 16.4322 16.4322 16.4380 16.4380 16.4670 16.4670 21.2842 21.2842 22.4579 22.4579 22.4863 22.4863 22.5200 22.5200 k = 0.4423-0.3128 0.6124 ( 1172 PWs) bands (ev): -7.6556 -7.6556 -3.1099 -3.1099 -3.0174 -3.0174 -2.9803 -2.9803 2.0765 2.0765 2.1291 2.1291 5.2924 5.2924 6.7176 6.7176 6.8288 6.8288 7.0193 7.0193 8.5634 8.5634 8.7289 8.7289 8.8757 8.8757 16.3875 16.3875 16.3934 16.3934 16.4357 16.4357 21.3223 21.3223 22.4552 22.4552 22.4948 22.4948 22.5431 22.5431 k = 0.4327-0.3060 0.6124 ( 1180 PWs) bands (ev): -7.6677 -7.6677 -3.1304 -3.1304 -3.0053 -3.0053 -2.9552 -2.9552 2.1018 2.1018 2.1725 2.1725 5.2309 5.2309 6.6248 6.6248 6.7839 6.7839 7.0200 7.0200 8.5776 8.5776 8.7875 8.7875 8.9799 8.9799 16.3353 16.3353 16.3415 16.3415 16.3991 16.3991 21.3668 21.3668 22.4521 22.4521 22.5040 22.5040 22.5696 22.5696 k = 0.4231-0.2992 0.6124 ( 1184 PWs) bands (ev): -7.6813 -7.6813 -3.1536 -3.1536 -2.9914 -2.9914 -2.9265 -2.9265 2.1309 2.1309 2.2220 2.2220 5.1603 5.1603 6.5248 6.5248 6.7413 6.7413 7.0208 7.0208 8.5940 8.5940 8.8485 8.8485 9.0907 9.0907 16.2761 16.2761 16.2825 16.2825 16.3571 16.3571 21.4175 21.4175 22.4487 22.4487 22.5137 22.5137 22.5992 22.5992 k = 0.4135-0.2924 0.6124 ( 1182 PWs) bands (ev): -7.6965 -7.6965 -3.1792 -3.1792 -2.9755 -2.9755 -2.8941 -2.8941 2.1639 2.1639 2.2773 2.2773 5.0810 5.0810 6.4185 6.4185 6.7021 6.7021 7.0217 7.0217 8.6126 8.6126 8.9107 8.9107 9.2064 9.2064 16.2104 16.2104 16.2166 16.2166 16.3100 16.3100 21.4740 21.4740 22.4451 22.4451 22.5236 22.5236 22.6316 22.6316 k = 0.4038-0.2856 0.6124 ( 1190 PWs) bands (ev): -7.7131 -7.7131 -3.2070 -3.2070 -2.9579 -2.9579 -2.8584 -2.8584 2.2006 2.2006 2.3383 2.3383 4.9935 4.9935 6.3069 6.3069 6.6667 6.6667 7.0226 7.0226 8.6333 8.6333 8.9730 8.9730 9.3257 9.3257 16.1382 16.1382 16.1439 16.1439 16.2576 16.2576 21.5360 21.5360 22.4411 22.4411 22.5329 22.5329 22.6662 22.6662 k = 0.3942-0.2788 0.6124 ( 1190 PWs) bands (ev): -7.7310 -7.7310 -3.2368 -3.2368 -2.9385 -2.9385 -2.8193 -2.8193 2.2410 2.2410 2.4046 2.4046 4.8989 4.8989 6.1910 6.1910 6.6354 6.6354 7.0237 7.0237 8.6563 8.6563 9.0349 9.0349 9.4478 9.4478 16.0601 16.0601 16.0651 16.0651 16.2006 16.2006 21.6031 21.6031 22.4370 22.4370 22.5413 22.5413 22.7027 22.7027 k = 0.3846-0.2720 0.6124 ( 1190 PWs) bands (ev): -7.7501 -7.7501 -3.2683 -3.2683 -2.9172 -2.9172 -2.7768 -2.7768 2.2852 2.2852 2.4763 2.4763 4.7977 4.7977 6.0713 6.0713 6.6082 6.6082 7.0248 7.0248 8.6814 8.6814 9.0956 9.0956 9.5716 9.5716 15.9760 15.9760 15.9808 15.9808 16.1389 16.1389 21.6749 21.6749 22.4328 22.4328 22.5480 22.5480 22.7409 22.7409 k = 0.3750-0.2652 0.6124 ( 1190 PWs) bands (ev): -7.7704 -7.7704 -3.3014 -3.3014 -2.8942 -2.8942 -2.7312 -2.7312 2.3330 2.3330 2.5526 2.5526 4.6912 4.6912 5.9484 5.9484 6.5846 6.5846 7.0260 7.0260 8.7088 8.7088 9.1548 9.1548 9.6965 9.6965 15.8860 15.8860 15.8918 15.8918 16.0726 16.0726 21.7509 21.7509 22.4286 22.4286 22.5525 22.5525 22.7802 22.7802 k = 0.3654-0.2584 0.6124 ( 1184 PWs) bands (ev): -7.7915 -7.7915 -3.3359 -3.3359 -2.8693 -2.8693 -2.6826 -2.6826 2.3844 2.3844 2.6336 2.6336 4.5800 4.5800 5.8228 5.8228 6.5645 6.5645 7.0273 7.0273 8.7383 8.7383 9.2121 9.2121 9.8221 9.8221 15.7902 15.7902 15.7988 15.7988 16.0019 16.0019 21.8308 21.8308 22.4245 22.4245 22.5540 22.5540 22.8203 22.8203 k = 0.3558-0.2516 0.6124 ( 1184 PWs) bands (ev): -7.8136 -7.8136 -3.3716 -3.3716 -2.8427 -2.8427 -2.6310 -2.6310 2.4393 2.4393 2.7188 2.7188 4.4648 4.4648 5.6948 5.6948 6.5474 6.5474 7.0286 7.0286 8.7700 8.7700 9.2669 9.2669 9.9477 9.9477 15.6892 15.6892 15.7018 15.7018 15.9269 15.9269 21.9135 21.9135 22.4204 22.4204 22.5517 22.5517 22.8609 22.8609 k = 0.3462-0.2448 0.6124 ( 1184 PWs) bands (ev): -7.8364 -7.8364 -3.4081 -3.4081 -2.8144 -2.8144 -2.5766 -2.5766 2.4977 2.4977 2.8082 2.8082 4.3464 4.3464 5.5647 5.5647 6.5329 6.5329 7.0299 7.0299 8.8038 8.8038 9.3191 9.3191 10.0729 10.0729 15.5835 15.5835 15.6011 15.6011 15.8478 15.8478 21.9985 21.9985 22.4165 22.4165 22.5449 22.5449 22.9016 22.9016 k = 0.3365-0.2380 0.6124 ( 1182 PWs) bands (ev): -7.8598 -7.8598 -3.4454 -3.4454 -2.7842 -2.7842 -2.5195 -2.5195 2.5595 2.5595 2.9013 2.9013 4.2254 4.2254 5.4329 5.4329 6.5208 6.5208 7.0312 7.0312 8.8398 8.8398 9.3685 9.3685 10.1974 10.1974 15.4738 15.4738 15.4971 15.4971 15.7649 15.7649 22.0852 22.0852 22.4128 22.4128 22.5331 22.5331 22.9423 22.9423 k = 0.3269-0.2312 0.6124 ( 1182 PWs) bands (ev): -7.8838 -7.8838 -3.4833 -3.4833 -2.7524 -2.7524 -2.4597 -2.4597 2.6247 2.6247 2.9980 2.9980 4.1024 4.1024 5.2995 5.2995 6.5107 6.5107 7.0325 7.0325 8.8780 8.8780 9.4147 9.4147 10.3209 10.3209 15.3604 15.3604 15.3899 15.3899 15.6782 15.6782 22.1725 22.1725 22.4095 22.4095 22.5149 22.5149 22.9826 22.9826 k = 0.3173-0.2244 0.6124 ( 1174 PWs) bands (ev): -7.9081 -7.9081 -3.5215 -3.5215 -2.7188 -2.7188 -2.3974 -2.3974 2.6932 2.6932 3.0981 3.0981 3.9778 3.9778 5.1648 5.1648 6.5025 6.5025 7.0338 7.0338 8.9183 8.9183 9.4577 9.4577 10.4431 10.4431 15.2439 15.2439 15.2803 15.2803 15.5880 15.5880 22.2597 22.2597 22.4068 22.4068 22.4902 22.4902 23.0228 23.0228 k = 0.3077-0.2176 0.6124 ( 1182 PWs) bands (ev): -7.9328 -7.9328 -3.5600 -3.5600 -2.6835 -2.6835 -2.3326 -2.3326 2.7648 2.7648 3.2011 3.2011 3.8521 3.8521 5.0290 5.0290 6.4956 6.4956 7.0348 7.0348 8.9604 8.9604 9.4970 9.4970 10.5636 10.5636 15.1248 15.1248 15.1679 15.1679 15.4942 15.4942 22.3455 22.3455 22.4042 22.4042 22.4586 22.4586 23.0613 23.0613 k = 0.2981-0.2108 0.6124 ( 1182 PWs) bands (ev): -7.9576 -7.9576 -3.5985 -3.5985 -2.6466 -2.6466 -2.2654 -2.2654 2.8395 2.8395 3.3070 3.3070 3.7256 3.7256 4.8923 4.8923 6.4901 6.4901 7.0359 7.0359 9.0050 9.0050 9.5328 9.5328 10.6823 10.6823 15.0035 15.0035 15.0534 15.0534 15.3974 15.3974 22.4019 22.4019 22.4198 22.4198 22.4292 22.4292 23.0992 23.0992 k = 0.2885-0.2040 0.6124 ( 1172 PWs) bands (ev): -7.9825 -7.9825 -3.6368 -3.6368 -2.6080 -2.6080 -2.1958 -2.1958 2.9172 2.9172 3.4155 3.4155 3.5987 3.5987 4.7549 4.7549 6.4858 6.4858 7.0371 7.0371 9.0517 9.0517 9.5648 9.5648 10.7990 10.7990 14.8806 14.8806 14.9371 14.9371 15.2978 15.2978 22.3746 22.3746 22.4008 22.4008 22.5092 22.5092 23.1360 23.1360 k = 0.2788-0.1972 0.6124 ( 1174 PWs) bands (ev): -8.0075 -8.0075 -3.6750 -3.6750 -2.5678 -2.5678 -2.1242 -2.1242 2.9977 2.9977 3.4716 3.4716 3.5262 3.5262 4.6169 4.6169 6.4824 6.4824 7.0379 7.0379 9.1005 9.1005 9.5928 9.5928 10.9133 10.9133 14.7567 14.7567 14.8191 14.8191 15.1953 15.1953 22.3226 22.3226 22.3998 22.3998 22.5842 22.5842 23.1715 23.1715 k = 0.2692-0.1904 0.6124 ( 1174 PWs) bands (ev): -8.0323 -8.0323 -3.7128 -3.7128 -2.5261 -2.5261 -2.0503 -2.0503 3.0809 3.0809 3.3448 3.3448 3.6390 3.6390 4.4785 4.4785 6.4799 6.4799 7.0386 7.0386 9.1513 9.1513 9.6166 9.6166 11.0250 11.0250 14.6322 14.6322 14.6996 14.6996 15.0904 15.0904 22.2648 22.2648 22.3994 22.3994 22.6533 22.6533 23.2057 23.2057 k = 0.2596-0.1836 0.6124 ( 1176 PWs) bands (ev): -8.0570 -8.0570 -3.7501 -3.7501 -2.4829 -2.4829 -1.9745 -1.9745 3.1666 3.1666 3.2183 3.2183 3.7536 3.7536 4.3398 4.3398 6.4781 6.4781 7.0392 7.0392 9.2043 9.2043 9.6360 9.6360 11.1341 11.1341 14.5078 14.5078 14.5790 14.5790 14.9831 14.9831 22.2020 22.2020 22.3997 22.3997 22.7155 22.7155 23.2384 23.2384 k = 0.2500-0.1768 0.6124 ( 1176 PWs) bands (ev): -8.0814 -8.0814 -3.7868 -3.7868 -2.4381 -2.4381 -1.8965 -1.8965 3.0924 3.0924 3.2547 3.2547 3.8698 3.8698 4.2011 4.2011 6.4769 6.4769 7.0395 7.0395 9.2594 9.2594 9.6509 9.6509 11.2404 11.2404 14.3840 14.3840 14.4574 14.4574 14.8739 14.8739 22.1355 22.1355 22.4006 22.4006 22.7701 22.7701 23.2697 23.2697 k = 0.2404-0.1700 0.6124 ( 1176 PWs) bands (ev): -8.1055 -8.1055 -3.8228 -3.8228 -2.3920 -2.3920 -1.8167 -1.8167 2.9673 2.9673 3.3449 3.3449 3.9873 3.9873 4.0626 4.0626 6.4762 6.4762 7.0395 7.0395 9.3165 9.3165 9.6611 9.6611 11.3436 11.3436 14.2614 14.2614 14.3349 14.3349 14.7629 14.7629 22.0662 22.0662 22.4022 22.4022 22.8166 22.8166 23.2995 23.2995 k = 0.2308-0.1632 0.6124 ( 1176 PWs) bands (ev): -8.1291 -8.1291 -3.8580 -3.8580 -2.3444 -2.3444 -1.7350 -1.7350 2.8432 2.8432 3.4365 3.4365 3.9248 3.9248 4.1058 4.1058 6.4760 6.4760 7.0393 7.0393 9.3757 9.3757 9.6664 9.6664 11.4437 11.4437 14.1405 14.1405 14.2119 14.2119 14.6505 14.6505 21.9950 21.9950 22.4044 22.4044 22.8547 22.8547 23.3278 23.3278 k = 0.2212-0.1564 0.6124 ( 1176 PWs) bands (ev): -8.1523 -8.1523 -3.8923 -3.8923 -2.2956 -2.2956 -1.6514 -1.6514 2.7202 2.7202 3.5273 3.5273 3.7899 3.7899 4.2252 4.2252 6.4762 6.4762 7.0387 7.0387 9.4370 9.4370 9.6667 9.6667 11.5405 11.5405 14.0220 14.0220 14.0885 14.0885 14.5369 14.5369 21.9229 21.9229 22.4072 22.4072 22.8849 22.8849 23.3545 23.3545 k = 0.2115-0.1496 0.6124 ( 1176 PWs) bands (ev): -8.1749 -8.1749 -3.9256 -3.9256 -2.2455 -2.2455 -1.5660 -1.5660 2.5987 2.5987 3.5899 3.5899 3.6852 3.6852 4.3450 4.3450 6.4768 6.4768 7.0378 7.0378 9.5002 9.5002 9.6618 9.6618 11.6338 11.6338 13.9063 13.9063 13.9647 13.9647 14.4225 14.4225 21.8506 21.8506 22.4107 22.4107 22.9077 22.9077 23.3798 23.3798 k = 0.2019-0.1428 0.6124 ( 1176 PWs) bands (ev): -8.1969 -8.1969 -3.9579 -3.9579 -2.1942 -2.1942 -1.4789 -1.4789 2.4786 2.4786 3.4940 3.4940 3.7409 3.7409 4.4651 4.4651 6.4776 6.4776 7.0364 7.0364 9.5655 9.5655 9.6516 9.6516 11.7236 11.7236 13.7941 13.7941 13.8409 13.8409 14.3076 14.3076 21.7790 21.7790 22.4147 22.4147 22.9237 22.9237 23.4035 23.4035 k = 0.1923-0.1360 0.6124 ( 1178 PWs) bands (ev): -8.2182 -8.2182 -3.9891 -3.9891 -2.1419 -2.1419 -1.3901 -1.3901 2.3603 2.3603 3.3604 3.3604 3.8360 3.8360 4.5853 4.5853 6.4786 6.4786 7.0346 7.0346 9.6320 9.6320 9.6369 9.6369 11.8095 11.8095 13.6857 13.6857 13.7170 13.7170 14.1927 14.1927 21.7085 21.7085 22.4192 22.4192 22.9340 22.9340 23.4257 23.4257 k = 0.1827-0.1292 0.6124 ( 1182 PWs) bands (ev): -8.2389 -8.2389 -4.0191 -4.0191 -2.0887 -2.0887 -1.2997 -1.2997 2.2437 2.2437 3.2240 3.2240 3.9352 3.9352 4.7049 4.7049 6.4799 6.4799 7.0322 7.0322 9.6150 9.6150 9.7022 9.7022 11.8919 11.8919 13.5816 13.5816 13.5935 13.5935 14.0780 14.0780 21.6398 21.6398 22.4243 22.4243 22.9393 22.9393 23.4464 23.4464 k = 0.1731-0.1224 0.6124 ( 1182 PWs) bands (ev): -8.2587 -8.2587 -4.0479 -4.0479 -2.0347 -2.0347 -1.2076 -1.2076 2.1294 2.1294 3.0876 3.0876 4.0359 4.0359 4.8238 4.8238 6.4812 6.4812 7.0293 7.0293 9.5888 9.5888 9.7735 9.7735 11.9704 11.9704 13.4692 13.4692 13.4834 13.4834 13.9641 13.9641 21.5732 21.5732 22.4297 22.4297 22.9406 22.9406 23.4657 23.4657 k = 0.1635-0.1156 0.6124 ( 1182 PWs) bands (ev): -8.2777 -8.2777 -4.0755 -4.0755 -1.9799 -1.9799 -1.1138 -1.1138 2.0174 2.0174 2.9515 2.9515 4.1373 4.1373 4.9417 4.9417 6.4827 6.4827 7.0256 7.0256 9.5573 9.5573 9.8467 9.8467 12.0451 12.0451 13.3463 13.3463 13.3894 13.3894 13.8514 13.8514 21.5089 21.5089 22.4355 22.4355 22.9386 22.9386 23.4836 23.4836 k = 0.1538-0.1088 0.6124 ( 1174 PWs) bands (ev): -8.2958 -8.2958 -4.1016 -4.1016 -1.9247 -1.9247 -1.0186 -1.0186 1.9080 1.9080 2.8160 2.8160 4.2390 4.2390 5.0582 5.0582 6.4843 6.4843 7.0213 7.0213 9.5209 9.5209 9.9220 9.9220 12.1157 12.1157 13.2237 13.2237 13.3014 13.3014 13.7406 13.7406 21.4476 21.4476 22.4417 22.4417 22.9344 22.9344 23.5003 23.5003 k = 0.1442-0.1020 0.6124 ( 1174 PWs) bands (ev): -8.3131 -8.3131 -4.1264 -4.1264 -1.8692 -1.8692 -0.9220 -0.9220 1.8013 1.8013 2.6812 2.6812 4.3403 4.3403 5.1729 5.1729 6.4859 6.4859 7.0161 7.0161 9.4797 9.4797 9.9991 9.9991 12.1823 12.1823 13.1017 13.1017 13.2190 13.2190 13.6318 13.6318 21.3894 21.3894 22.4480 22.4480 22.9282 22.9282 23.5156 23.5156 k = 0.1346-0.0952 0.6124 ( 1174 PWs) bands (ev): -8.3293 -8.3293 -4.1497 -4.1497 -1.8136 -1.8136 -0.8240 -0.8240 1.6977 1.6977 2.5472 2.5472 4.4409 4.4409 5.2854 5.2854 6.4875 6.4875 7.0100 7.0100 9.4343 9.4343 10.0782 10.0782 12.2447 12.2447 12.9803 12.9803 13.1426 13.1426 13.5258 13.5258 21.3344 21.3344 22.4543 22.4543 22.9208 22.9208 23.5296 23.5296 k = 0.1250-0.0884 0.6124 ( 1172 PWs) bands (ev): -8.3446 -8.3446 -4.1716 -4.1716 -1.7580 -1.7580 -0.7244 -0.7244 1.5975 1.5975 2.4142 2.4142 4.5401 4.5401 5.3952 5.3952 6.4891 6.4891 7.0029 7.0029 9.3851 9.3851 10.1591 10.1591 12.3028 12.3028 12.8596 12.8596 13.0723 13.0723 13.4230 13.4230 21.2828 21.2828 22.4609 22.4609 22.9125 22.9125 23.5425 23.5425 k = 0.1154-0.0816 0.6124 ( 1176 PWs) bands (ev): -8.3589 -8.3589 -4.1920 -4.1920 -1.7032 -1.7032 -0.6237 -0.6237 1.5010 1.5010 2.2821 2.2821 4.6373 4.6373 5.5019 5.5019 6.4906 6.4906 6.9947 6.9947 9.3329 9.3329 10.2418 10.2418 12.3569 12.3569 12.7399 12.7399 13.0081 13.0081 13.3242 13.3242 21.2347 21.2347 22.4671 22.4671 22.9038 22.9038 23.5541 23.5541 k = 0.1058-0.0748 0.6124 ( 1176 PWs) bands (ev): -8.3722 -8.3722 -4.2109 -4.2109 -1.6493 -1.6493 -0.5217 -0.5217 1.4086 1.4086 2.1513 2.1513 4.7318 4.7318 5.6051 5.6051 6.4921 6.4921 6.9853 6.9853 9.2785 9.2785 10.3264 10.3264 12.4067 12.4067 12.6210 12.6210 12.9499 12.9499 13.2299 13.2299 21.1902 21.1902 22.4733 22.4733 22.8949 22.8949 23.5647 23.5647 k = 0.0962-0.0680 0.6124 ( 1176 PWs) bands (ev): -8.3844 -8.3844 -4.2282 -4.2282 -1.5967 -1.5967 -0.4186 -0.4186 1.3208 1.3208 2.0217 2.0217 4.8230 4.8230 5.7041 5.7041 6.4936 6.4936 6.9748 6.9748 9.2228 9.2228 10.4128 10.4128 12.4522 12.4522 12.5033 12.5033 12.8977 12.8977 13.1408 13.1408 21.1495 21.1495 22.4793 22.4793 22.8862 22.8862 23.5742 23.5742 k = 0.0865-0.0612 0.6124 ( 1176 PWs) bands (ev): -8.3955 -8.3955 -4.2439 -4.2439 -1.5459 -1.5459 -0.3145 -0.3145 1.2381 1.2381 1.8935 1.8935 4.9100 4.9100 5.7985 5.7985 6.4949 6.4949 6.9629 6.9629 9.1669 9.1669 10.5009 10.5009 12.3865 12.3865 12.4936 12.4936 12.8513 12.8513 13.0575 13.0575 21.1125 21.1125 22.4850 22.4850 22.8778 22.8778 23.5826 23.5826 k = 0.0769-0.0544 0.6124 ( 1176 PWs) bands (ev): -8.4055 -8.4055 -4.2581 -4.2581 -1.4975 -1.4975 -0.2096 -0.2096 1.1611 1.1611 1.7671 1.7671 4.9919 4.9919 5.8876 5.8876 6.4962 6.4962 6.9499 6.9499 9.1119 9.1119 10.5906 10.5906 12.2711 12.2711 12.5305 12.5305 12.8106 12.8106 12.9807 12.9807 21.0794 21.0794 22.4904 22.4904 22.8700 22.8700 23.5901 23.5901 k = 0.0673-0.0476 0.6124 ( 1172 PWs) bands (ev): -8.4143 -8.4143 -4.2706 -4.2706 -1.4521 -1.4521 -0.1040 -0.1040 1.0904 1.0904 1.6425 1.6425 5.0679 5.0679 5.9708 5.9708 6.4973 6.4973 6.9359 6.9359 9.0590 9.0590 10.6820 10.6820 12.1568 12.1568 12.5631 12.5631 12.7752 12.7752 12.9110 12.9110 21.0501 21.0501 22.4952 22.4952 22.8629 22.8629 23.5968 23.5968 k = 0.0577-0.0408 0.6124 ( 1172 PWs) bands (ev): -8.4220 -8.4220 -4.2814 -4.2814 -1.4105 -1.4105 0.0015 0.0015 1.0268 1.0268 1.5204 1.5204 5.1366 5.1366 6.0470 6.0470 6.4983 6.4983 6.9207 6.9207 9.0096 9.0096 10.7749 10.7749 12.0442 12.0442 12.5913 12.5913 12.7451 12.7451 12.8491 12.8491 21.0247 21.0247 22.4996 22.4996 22.8564 22.8564 23.6023 23.6023 k = 0.0481-0.0340 0.6124 ( 1172 PWs) bands (ev): -8.4285 -8.4285 -4.2907 -4.2907 -1.3734 -1.3734 0.1064 0.1064 0.9711 0.9711 1.4014 1.4014 5.1972 5.1972 6.1155 6.1155 6.4991 6.4991 6.9051 6.9051 8.9648 8.9648 10.8690 10.8690 11.9333 11.9333 12.6152 12.6152 12.7201 12.7201 12.7956 12.7956 21.0031 21.0031 22.5034 22.5034 22.8508 22.8508 23.6070 23.6070 k = 0.0385-0.0272 0.6124 ( 1172 PWs) bands (ev): -8.4339 -8.4339 -4.2982 -4.2982 -1.3416 -1.3416 0.2095 0.2095 0.9241 0.9241 1.2868 1.2868 5.2486 5.2486 6.1749 6.1749 6.4998 6.4998 6.8896 6.8896 8.9261 8.9261 10.9640 10.9640 11.8245 11.8245 12.6347 12.6347 12.6999 12.6999 12.7510 12.7510 20.9855 20.9855 22.5066 22.5066 22.8462 22.8462 23.6108 23.6108 k = 0.0288-0.0204 0.6124 ( 1172 PWs) bands (ev): -8.4381 -8.4381 -4.3041 -4.3041 -1.3159 -1.3159 0.3082 0.3082 0.8864 0.8864 1.1792 1.1792 5.2897 5.2897 6.2241 6.2241 6.5004 6.5004 6.8753 6.8753 8.8945 8.8945 11.0593 11.0593 11.7185 11.7185 12.6498 12.6498 12.6845 12.6845 12.7158 12.7158 20.9717 20.9717 22.5091 22.5091 22.8425 22.8425 23.6138 23.6138 k = 0.0192-0.0136 0.6124 ( 1180 PWs) bands (ev): -8.4411 -8.4411 -4.3083 -4.3083 -1.2969 -1.2969 0.3973 0.3973 0.8590 0.8590 1.0837 1.0837 5.3198 5.3198 6.2610 6.2610 6.5008 6.5008 6.8632 6.8632 8.8709 8.8709 11.1528 11.1528 11.6173 11.6173 12.6600 12.6600 12.6740 12.6740 12.6902 12.6902 20.9619 20.9619 22.5109 22.5109 22.8398 22.8398 23.6158 23.6158 k = 0.0096-0.0068 0.6124 ( 1180 PWs) bands (ev): -8.4429 -8.4429 -4.3109 -4.3109 -1.2853 -1.2853 0.4653 0.4653 0.8422 0.8422 1.0118 1.0118 5.3382 5.3382 6.2841 6.2841 6.5010 6.5010 6.8552 6.8552 8.8566 8.8566 11.2375 11.2375 11.5280 11.5280 12.6634 12.6634 12.6705 12.6705 12.6748 12.6748 20.9560 20.9560 22.5120 22.5120 22.8382 22.8382 23.6171 23.6171 k = 0.0000 0.0000 0.6124 ( 1180 PWs) bands (ev): -8.4435 -8.4435 -4.3117 -4.3117 -1.2814 -1.2814 0.4923 0.4923 0.8366 0.8366 0.9835 0.9835 5.3443 5.3443 6.2920 6.2920 6.5011 6.5011 6.8524 6.8524 8.8517 8.8517 11.2813 11.2813 11.4827 11.4827 12.6626 12.6626 12.6697 12.6697 12.6714 12.6714 20.9540 20.9540 22.5123 22.5123 22.8376 22.8376 23.6175 23.6175 k = 0.0000 0.0000 0.6124 ( 1180 PWs) bands (ev): -8.4435 -8.4435 -4.3117 -4.3117 -1.2814 -1.2814 0.4923 0.4923 0.8366 0.8366 0.9835 0.9835 5.3443 5.3443 6.2920 6.2920 6.5011 6.5011 6.8524 6.8524 8.8517 8.8517 11.2813 11.2813 11.4827 11.4827 12.6626 12.6626 12.6697 12.6697 12.6714 12.6714 20.9540 20.9540 22.5123 22.5123 22.8376 22.8376 23.6175 23.6175 k = 0.0000 0.0000 0.6006 ( 1180 PWs) bands (ev): -8.4452 -8.4452 -4.3085 -4.3085 -1.2805 -1.2805 0.4930 0.4930 0.8374 0.8374 0.9831 0.9831 5.3439 5.3439 6.2920 6.2920 6.4955 6.4955 6.8489 6.8489 8.8530 8.8530 11.2874 11.2874 11.4694 11.4694 12.6223 12.6223 12.6819 12.6819 12.7144 12.7144 20.9495 20.9495 22.5080 22.5080 22.8052 22.8052 23.6225 23.6225 k = 0.0000 0.0000 0.5888 ( 1180 PWs) bands (ev): -8.4503 -8.4503 -4.2988 -4.2988 -1.2777 -1.2777 0.4950 0.4950 0.8396 0.8396 0.9822 0.9822 5.3425 5.3425 6.2922 6.2922 6.4787 6.4787 6.8383 6.8383 8.8570 8.8570 11.3056 11.3056 11.4312 11.4312 12.5803 12.5803 12.7173 12.7173 12.7643 12.7643 20.9360 20.9360 22.4952 22.4952 22.7186 22.7186 23.6374 23.6374 k = 0.0000 0.0000 0.5770 ( 1182 PWs) bands (ev): -8.4587 -8.4587 -4.2829 -4.2829 -1.2732 -1.2732 0.4984 0.4984 0.8432 0.8432 0.9806 0.9806 5.3401 5.3401 6.2925 6.2925 6.4510 6.4510 6.8208 6.8208 8.8636 8.8636 11.3357 11.3357 11.3719 11.3719 12.5404 12.5404 12.7719 12.7719 12.8173 12.8173 20.9139 20.9139 22.4745 22.4745 22.5981 22.5981 23.6615 23.6615 k = 0.0000 0.0000 0.5653 ( 1170 PWs) bands (ev): -8.4703 -8.4703 -4.2606 -4.2606 -1.2667 -1.2667 0.5032 0.5032 0.8485 0.8485 0.9785 0.9785 5.3369 5.3369 6.2931 6.2931 6.4129 6.4129 6.7968 6.7968 8.8730 8.8730 11.2962 11.2962 11.3772 11.3772 12.5024 12.5024 12.8411 12.8411 12.8736 12.8736 20.8837 20.8837 22.4468 22.4468 22.4599 22.4599 23.6940 23.6940 k = 0.0000 0.0000 0.5535 ( 1174 PWs) bands (ev): -8.4851 -8.4851 -4.2322 -4.2322 -1.2586 -1.2586 0.5092 0.5092 0.8551 0.8551 0.9756 0.9756 5.3323 5.3323 6.2939 6.2939 6.3649 6.3649 6.7664 6.7664 8.8844 8.8844 11.2081 11.2081 11.4295 11.4295 12.4658 12.4658 12.9204 12.9204 12.9333 12.9333 20.8459 20.8459 22.3126 22.3126 22.4137 22.4137 23.7333 23.7333 k = 0.0000 0.0000 0.5417 ( 1174 PWs) bands (ev): -8.5028 -8.5028 -4.1978 -4.1978 -1.2487 -1.2487 0.5165 0.5165 0.8631 0.8631 0.9722 0.9722 5.3264 5.3264 6.2949 6.2949 6.3076 6.3076 6.7303 6.7303 8.8982 8.8982 11.1109 11.1109 11.4919 11.4919 12.4301 12.4301 12.9943 12.9943 13.0088 13.0088 20.8014 20.8014 22.1619 22.1619 22.3756 22.3756 23.7788 23.7788 k = 0.0000 0.0000 0.5299 ( 1170 PWs) bands (ev): -8.5233 -8.5233 -4.1576 -4.1576 -1.2369 -1.2369 0.5251 0.5251 0.8726 0.8726 0.9681 0.9681 5.3191 5.3191 6.2420 6.2420 6.2964 6.2964 6.6888 6.6888 8.9141 8.9141 11.0071 11.0071 11.5639 11.5639 12.3952 12.3952 13.0603 13.0603 13.1004 13.1004 20.7510 20.7510 22.0106 22.0106 22.3338 22.3338 23.8294 23.8294 k = 0.0000 0.0000 0.5182 ( 1170 PWs) bands (ev): -8.5464 -8.5464 -4.1119 -4.1119 -1.2234 -1.2234 0.5350 0.5350 0.8835 0.8835 0.9635 0.9635 5.3101 5.3101 6.1685 6.1685 6.2983 6.2983 6.6427 6.6427 8.9320 8.9320 10.8983 10.8983 11.6443 11.6443 12.3605 12.3605 13.1288 13.1288 13.1954 13.1954 20.6958 20.6958 21.8606 21.8606 22.2890 22.2890 23.8842 23.8842 k = 0.0000 0.0000 0.5064 ( 1170 PWs) bands (ev): -8.5718 -8.5718 -4.0608 -4.0608 -1.2081 -1.2081 0.5460 0.5460 0.8958 0.8958 0.9582 0.9582 5.2989 5.2989 6.0880 6.0880 6.3008 6.3008 6.5927 6.5927 8.9515 8.9515 10.7859 10.7859 11.7324 11.7324 12.3257 12.3257 13.2002 13.2002 13.2924 13.2924 20.6365 20.6365 21.7130 21.7130 22.2419 22.2419 23.9425 23.9425 k = 0.0000 0.0000 0.4946 ( 1170 PWs) bands (ev): -8.5994 -8.5994 -4.0046 -4.0046 -1.1910 -1.1910 0.5582 0.5582 0.9095 0.9095 0.9525 0.9525 5.2854 5.2854 6.0014 6.0014 6.3038 6.3038 6.5396 6.5396 8.9726 8.9726 10.6708 10.6708 11.8275 11.8275 12.2903 12.2903 13.2741 13.2741 13.3905 13.3905 20.5743 20.5743 21.5688 21.5688 22.1932 22.1932 24.0036 24.0036 k = 0.0000 0.0000 0.4828 ( 1172 PWs) bands (ev): -8.6289 -8.6289 -3.9436 -3.9436 -1.1721 -1.1721 0.5716 0.5716 0.9245 0.9245 0.9461 0.9461 5.2688 5.2688 5.9092 5.9092 6.3076 6.3076 6.4845 6.4845 8.9950 8.9950 10.5537 10.5537 11.9287 11.9287 12.2536 12.2536 13.3504 13.3504 13.4890 13.4890 20.5101 20.5101 21.4287 21.4287 22.1430 22.1430 24.0671 24.0671 k = 0.0000 0.0000 0.4711 ( 1172 PWs) bands (ev): -8.6601 -8.6601 -3.8779 -3.8779 -1.1514 -1.1514 0.5860 0.5860 0.9393 0.9393 0.9409 0.9409 5.2488 5.2488 5.8122 5.8122 6.3123 6.3123 6.4283 6.4283 9.0185 9.0185 10.4351 10.4351 12.0355 12.0355 12.2158 12.2158 13.4291 13.4291 13.5873 13.5873 20.4448 20.4448 21.2930 21.2930 22.0922 22.0922 24.1325 24.1325 k = 0.0000 0.0000 0.4593 ( 1172 PWs) bands (ev): -8.6927 -8.6927 -3.8078 -3.8078 -1.1289 -1.1289 0.6015 0.6015 0.9320 0.9320 0.9586 0.9586 5.2245 5.2245 5.7111 5.7111 6.3178 6.3178 6.3722 6.3722 9.0427 9.0427 10.3155 10.3155 12.1471 12.1471 12.1762 12.1762 13.5097 13.5097 13.6851 13.6851 20.3793 20.3793 21.1623 21.1623 22.0409 22.0409 24.1996 24.1996 k = 0.0000 0.0000 0.4475 ( 1172 PWs) bands (ev): -8.7266 -8.7266 -3.7336 -3.7336 -1.1047 -1.1047 0.6179 0.6179 0.9242 0.9242 0.9775 0.9775 5.1952 5.1952 5.6063 5.6063 6.3174 6.3174 6.3243 6.3243 9.0674 9.0674 10.1953 10.1953 12.1344 12.1344 12.2628 12.2628 13.5921 13.5921 13.7821 13.7821 20.3145 20.3145 21.0369 21.0369 21.9892 21.9892 24.2679 24.2679 k = 0.0000 0.0000 0.4357 ( 1164 PWs) bands (ev): -8.7615 -8.7615 -3.6555 -3.6555 -1.0787 -1.0787 0.6353 0.6353 0.9160 0.9160 0.9978 0.9978 5.1600 5.1600 5.4985 5.4985 6.2654 6.2654 6.3318 6.3318 9.0925 9.0925 10.0748 10.0748 12.0902 12.0902 12.3823 12.3823 13.6761 13.6761 13.8784 13.8784 20.2514 20.2514 20.9173 20.9173 21.9378 21.9378 24.3372 24.3372 k = 0.0000 0.0000 0.4240 ( 1160 PWs) bands (ev): -8.7972 -8.7972 -3.5736 -3.5736 -1.0509 -1.0509 0.6535 0.6535 0.9073 0.9073 1.0192 1.0192 5.1182 5.1182 5.3879 5.3879 6.2173 6.2173 6.3407 6.3407 9.1175 9.1175 9.9543 9.9543 12.0431 12.0431 12.5046 12.5046 13.7613 13.7613 13.9731 13.9731 20.1904 20.1904 20.8035 20.8035 21.8861 21.8861 24.4073 24.4073 k = 0.0000 0.0000 0.4122 ( 1158 PWs) bands (ev): -8.8336 -8.8336 -3.4884 -3.4884 -1.0214 -1.0214 0.6725 0.6725 0.8983 0.8983 1.0418 1.0418 5.0691 5.0691 5.2752 5.2752 6.1741 6.1741 6.3505 6.3505 9.1422 9.1422 9.8339 9.8339 11.9929 11.9929 12.6294 12.6294 13.8474 13.8474 14.0663 14.0663 20.1323 20.1323 20.6959 20.6959 21.8347 21.8347 24.4780 24.4780 k = 0.0000 0.0000 0.4004 ( 1158 PWs) bands (ev): -8.8704 -8.8704 -3.3999 -3.3999 -0.9902 -0.9902 0.6922 0.6922 0.8890 0.8890 1.0655 1.0655 5.0121 5.0121 5.1607 5.1607 6.1368 6.1368 6.3617 6.3617 9.1664 9.1664 9.7139 9.7139 11.9393 11.9393 12.7562 12.7562 13.9343 13.9343 14.1580 14.1580 20.0778 20.0778 20.5949 20.5949 21.7835 21.7835 24.5490 24.5490 k = 0.0000 0.0000 0.3886 ( 1162 PWs) bands (ev): -8.9076 -8.9076 -3.3083 -3.3083 -0.9572 -0.9572 0.7124 0.7124 0.8792 0.8792 1.0903 1.0903 4.9473 4.9473 5.0447 5.0447 6.1059 6.1059 6.3740 6.3740 9.1897 9.1897 9.5945 9.5945 11.8820 11.8820 12.8846 12.8846 14.0216 14.0216 14.2480 14.2480 20.0273 20.0273 20.5005 20.5005 21.7328 21.7328 24.6201 24.6201 k = 0.0000 0.0000 0.3768 ( 1158 PWs) bands (ev): -8.9448 -8.9448 -3.2138 -3.2138 -0.9224 -0.9224 0.7333 0.7333 0.8693 0.8693 1.1162 1.1162 4.8745 4.8745 4.9275 4.9275 6.0819 6.0819 6.3878 6.3878 9.2119 9.2119 9.4760 9.4760 11.8210 11.8210 13.0142 13.0142 14.1091 14.1091 14.3363 14.3363 19.9815 19.9815 20.4131 20.4131 21.6826 21.6826 24.6914 24.6914 k = 0.0000 0.0000 0.3651 ( 1158 PWs) bands (ev): -8.9820 -8.9820 -3.1167 -3.1167 -0.8860 -0.8860 0.7545 0.7545 0.8591 0.8591 1.1429 1.1429 4.7944 4.7944 4.8095 4.8095 6.0645 6.0645 6.4030 6.4030 9.2329 9.2329 9.3583 9.3583 11.7560 11.7560 13.1445 13.1445 14.1966 14.1966 14.4226 14.4226 19.9407 19.9407 20.3328 20.3328 21.6330 21.6330 24.7625 24.7625 k = 0.0000 0.0000 0.3533 ( 1170 PWs) bands (ev): -9.0191 -9.0191 -3.0170 -3.0170 -0.8479 -0.8479 0.7761 0.7761 0.8484 0.8484 1.1705 1.1705 4.6905 4.6905 4.7073 4.7073 6.0537 6.0537 6.4195 6.4195 9.2415 9.2415 9.2524 9.2524 11.6869 11.6869 13.2752 13.2752 14.2836 14.2836 14.5064 14.5064 19.9053 19.9053 20.2597 20.2597 21.5839 21.5839 24.8333 24.8333 k = 0.0000 0.0000 0.3415 ( 1162 PWs) bands (ev): -9.0558 -9.0558 -2.9148 -2.9148 -0.8081 -0.8081 0.7980 0.7980 0.8379 0.8379 1.1991 1.1991 4.5716 4.5716 4.6142 4.6142 6.0491 6.0491 6.4375 6.4375 9.1265 9.1265 9.2700 9.2700 11.6138 11.6138 13.4061 13.4061 14.3704 14.3704 14.5887 14.5887 19.8757 19.8757 20.1942 20.1942 21.5356 21.5356 24.9038 24.9038 k = 0.0000 0.0000 0.3297 ( 1162 PWs) bands (ev): -9.0922 -9.0922 -2.8106 -2.8106 -0.7667 -0.7667 0.8200 0.8200 0.8272 0.8272 1.2284 1.2284 4.4524 4.4524 4.5156 4.5156 6.0502 6.0502 6.4568 6.4568 9.0127 9.0127 9.2858 9.2858 11.5366 11.5366 13.5367 13.5367 14.4564 14.4564 14.6690 14.6690 19.8519 19.8519 20.1362 20.1362 21.4880 21.4880 24.9737 24.9737 k = 0.0000 0.0000 0.3180 ( 1166 PWs) bands (ev): -9.1280 -9.1280 -2.7043 -2.7043 -0.7236 -0.7236 0.8163 0.8163 0.8420 0.8420 1.2583 1.2583 4.3332 4.3332 4.4122 4.4122 6.0566 6.0566 6.4775 6.4775 8.9004 8.9004 9.2994 9.2994 11.4552 11.4552 13.6666 13.6666 14.5414 14.5414 14.7470 14.7470 19.8342 19.8342 20.0859 20.0859 21.4412 21.4412 25.0427 25.0427 k = 0.0000 0.0000 0.3062 ( 1164 PWs) bands (ev): -9.1632 -9.1632 -2.5961 -2.5961 -0.6789 -0.6789 0.8055 0.8055 0.8639 0.8639 1.2889 1.2889 4.2143 4.2143 4.3049 4.3049 6.0680 6.0680 6.4996 6.4996 8.7901 8.7901 9.3108 9.3108 11.3700 11.3700 13.7956 13.7956 14.6253 14.6253 14.8229 14.8229 19.8227 19.8227 20.0434 20.0434 21.3951 21.3951 25.1109 25.1109 k = 0.0000 0.0000 0.2944 ( 1164 PWs) bands (ev): -9.1977 -9.1977 -2.4862 -2.4862 -0.6327 -0.6327 0.7946 0.7946 0.8856 0.8856 1.3201 1.3201 4.0957 4.0957 4.1942 4.1942 6.0840 6.0840 6.5229 6.5229 8.6817 8.6817 9.3198 9.3198 11.2809 11.2809 13.9234 13.9234 14.7078 14.7078 14.8965 14.8965 19.8173 19.8173 20.0086 20.0086 21.3500 21.3500 25.1781 25.1781 k = 0.0000 0.0000 0.2826 ( 1166 PWs) bands (ev): -9.2314 -9.2314 -2.3746 -2.3746 -0.5848 -0.5848 0.7838 0.7838 0.9068 0.9068 1.3516 1.3516 3.9776 3.9776 4.0806 4.0806 6.1043 6.1043 6.5475 6.5475 8.5754 8.5754 9.3263 9.3263 11.1881 11.1881 14.0497 14.0497 14.7887 14.7887 14.9678 14.9678 19.8179 19.8179 19.9813 19.9813 21.3057 21.3057 25.2442 25.2442 k = 0.0000 0.0000 0.2709 ( 1166 PWs) bands (ev): -9.2642 -9.2642 -2.2615 -2.2615 -0.5354 -0.5354 0.7730 0.7730 0.9277 0.9277 1.3835 1.3835 3.8603 3.8603 3.9648 3.9648 6.1287 6.1287 6.5733 6.5733 8.4714 8.4714 9.3304 9.3304 11.0920 11.0920 14.1741 14.1741 14.8678 14.8678 15.0367 15.0367 19.8248 19.8248 19.9621 19.9621 21.2624 21.2624 25.3090 25.3090 k = 0.0000 0.0000 0.2591 ( 1166 PWs) bands (ev): -9.2961 -9.2961 -2.1470 -2.1470 -0.4846 -0.4846 0.7624 0.7624 0.9478 0.9478 1.4156 1.4156 3.7437 3.7437 3.8471 3.8471 6.1570 6.1570 6.6002 6.6002 8.3698 8.3698 9.3320 9.3320 10.9927 10.9927 14.2964 14.2964 14.9450 14.9450 15.1032 15.1032 19.8377 19.8377 19.9505 19.9505 21.2201 21.2201 25.3724 25.3724 k = 0.0000 0.0000 0.2473 ( 1162 PWs) bands (ev): -9.3269 -9.3269 -2.0312 -2.0312 -0.4323 -0.4323 0.7519 0.7519 0.9672 0.9672 1.4479 1.4479 3.6282 3.6282 3.7280 3.7280 6.1888 6.1888 6.6281 6.6281 8.2709 8.2709 9.3310 9.3310 10.8906 10.8906 14.4166 14.4166 15.0199 15.0199 15.1674 15.1674 19.8563 19.8563 19.9465 19.9465 21.1788 21.1788 25.2927 25.2927 k = 0.0000 0.0000 0.2355 ( 1162 PWs) bands (ev): -9.3566 -9.3566 -1.9143 -1.9143 -0.3786 -0.3786 0.7416 0.7416 0.9856 0.9856 1.4801 1.4801 3.5137 3.5137 3.6078 3.6078 6.2242 6.2242 6.6570 6.6570 8.1747 8.1747 9.3276 9.3276 10.7860 10.7860 14.5338 14.5338 15.0925 15.0925 15.2289 15.2289 19.8804 19.8804 19.9499 19.9499 21.1386 21.1386 25.2537 25.2537 k = 0.0000 0.0000 0.2238 ( 1166 PWs) bands (ev): -9.3852 -9.3852 -1.7963 -1.7963 -0.3236 -0.3236 0.7315 0.7315 1.0028 1.0028 1.5122 1.5122 3.4003 3.4003 3.4870 3.4870 6.2629 6.2629 6.6866 6.6866 8.0815 8.0815 9.3218 9.3218 10.6792 10.6792 14.6478 14.6478 15.1624 15.1624 15.2878 15.2878 19.9098 19.9098 19.9604 19.9604 21.0996 21.0996 25.2152 25.2152 k = 0.0000 0.0000 0.2120 ( 1166 PWs) bands (ev): -9.4125 -9.4125 -1.6773 -1.6773 -0.2673 -0.2673 0.7218 0.7218 1.0186 1.0186 1.5440 1.5440 3.2885 3.2885 3.3659 3.3659 6.3047 6.3047 6.7168 6.7168 7.9914 7.9914 9.3137 9.3137 10.5707 10.5707 14.7586 14.7586 15.2298 15.2298 15.3441 15.3441 19.9440 19.9440 19.9777 19.9777 21.0617 21.0617 25.1776 25.1776 k = 0.0000 0.0000 0.2002 ( 1165 PWs) bands (ev): -9.4387 -9.4387 -1.5575 -1.5575 -0.2099 -0.2099 0.7123 0.7123 1.0328 1.0328 1.5754 1.5754 3.1782 3.1782 3.2450 3.2450 6.3495 6.3495 6.7476 6.7476 7.9047 7.9047 9.3034 9.3034 10.4609 10.4609 14.8658 14.8658 15.2944 15.2944 15.3978 15.3978 19.9827 19.9827 20.0017 20.0017 21.0251 21.0251 25.1409 25.1409 k = 0.0000 0.0000 0.1884 ( 1169 PWs) bands (ev): -9.4635 -9.4635 -1.4371 -1.4371 -0.1514 -0.1514 0.7030 0.7030 1.0450 1.0450 1.6062 1.6062 3.0695 3.0695 3.1246 3.1246 6.3971 6.3971 6.7787 6.7787 7.8214 7.8214 9.2912 9.2912 10.3503 10.3503 14.9691 14.9691 15.3558 15.3558 15.4484 15.4484 20.0251 20.0251 20.0320 20.0320 20.9898 20.9898 25.1054 25.1054 k = 0.0000 0.0000 0.1766 ( 1169 PWs) bands (ev): -9.4870 -9.4870 -1.3160 -1.3160 -0.0919 -0.0919 0.6943 0.6943 1.0551 1.0551 1.6363 1.6363 2.9627 2.9627 3.0052 3.0052 6.4472 6.4472 6.8099 6.8099 7.7419 7.7419 9.2773 9.2773 10.2393 10.2393 15.0682 15.0682 15.4143 15.4143 15.4966 15.4966 20.0663 20.0663 20.0727 20.0727 20.9559 20.9559 25.0713 25.0713 k = 0.0000 0.0000 0.1649 ( 1173 PWs) bands (ev): -9.5092 -9.5092 -1.1944 -1.1944 -0.0317 -0.0317 0.6859 0.6859 1.0625 1.0625 1.6656 1.6656 2.8580 2.8580 2.8874 2.8874 6.4996 6.4996 6.8410 6.8410 7.6663 7.6663 9.2619 9.2619 10.1285 10.1285 15.1626 15.1626 15.4695 15.4695 15.5415 15.5415 20.1073 20.1073 20.1217 20.1217 20.9235 20.9235 25.0386 25.0386 k = 0.0000 0.0000 0.1531 ( 1169 PWs) bands (ev): -9.5299 -9.5299 -1.0726 -1.0726 0.0291 0.0291 0.6780 0.6780 1.0668 1.0668 1.6938 1.6938 2.7556 2.7556 2.7716 2.7716 6.5540 6.5540 6.8718 6.8718 7.5948 7.5948 9.2454 9.2454 10.0185 10.0185 15.2524 15.2524 15.5213 15.5213 15.5840 15.5840 20.1525 20.1525 20.1734 20.1734 20.8928 20.8928 25.0074 25.0074 k = 0.0000 0.0000 0.1413 ( 1169 PWs) bands (ev): -9.5493 -9.5493 -0.9505 -0.9505 0.0903 0.0903 0.6705 0.6705 1.0675 1.0675 1.7208 1.7208 2.6558 2.6558 2.6586 2.6586 6.6100 6.6100 6.9021 6.9021 7.5275 7.5275 9.2279 9.2279 9.9099 9.9099 15.3368 15.3368 15.5696 15.5696 15.6235 15.6235 20.2014 20.2014 20.2270 20.2270 20.8637 20.8637 24.9778 24.9779 k = 0.0000 0.0000 0.1295 ( 1177 PWs) bands (ev): -9.5671 -9.5671 -0.8285 -0.8285 0.1516 0.1516 0.6635 0.6635 1.0638 1.0638 1.7465 1.7465 2.5493 2.5493 2.5588 2.5588 6.6670 6.6670 6.9315 6.9315 7.4646 7.4646 9.2098 9.2098 9.8033 9.8033 15.4152 15.4152 15.6142 15.6142 15.6600 15.6600 20.2531 20.2531 20.2813 20.2813 20.8363 20.8363 24.9498 24.9498 k = 0.0000 0.0000 0.1178 ( 1177 PWs) bands (ev): -9.5835 -9.5835 -0.7067 -0.7067 0.2126 0.2126 0.6571 0.6571 1.0549 1.0549 1.7706 1.7706 2.4447 2.4447 2.4652 2.4652 6.7247 6.7247 6.9599 6.9599 7.4066 7.4066 9.1915 9.1915 9.6997 9.6997 15.4887 15.4887 15.6553 15.6553 15.6936 15.6936 20.3068 20.3068 20.3360 20.3360 20.8108 20.8108 24.9233 24.9233 k = 0.0000 0.0000 0.1060 ( 1179 PWs) bands (ev): -9.5984 -9.5984 -0.5854 -0.5854 0.2728 0.2728 0.6512 0.6512 1.0399 1.0399 1.7930 1.7930 2.3458 2.3458 2.3753 2.3753 6.7823 6.7823 6.9869 6.9869 7.3534 7.3534 9.1734 9.1734 9.5999 9.5999 15.5555 15.5555 15.6926 15.6926 15.7242 15.7242 20.3614 20.3614 20.3901 20.3901 20.7873 20.7873 24.8982 24.8982 k = 0.0000 0.0000 0.0942 ( 1179 PWs) bands (ev): -9.6118 -9.6118 -0.4648 -0.4648 0.3317 0.3317 0.6459 0.6459 1.0178 1.0178 1.8136 1.8136 2.2541 2.2541 2.2899 2.2899 6.8390 6.8390 7.0122 7.0122 7.3052 7.3052 9.1558 9.1558 9.5048 9.5048 15.6166 15.6166 15.7262 15.7262 15.7518 15.7518 20.4157 20.4157 20.4424 20.4424 20.7660 20.7660 24.8742 24.8742 k = 0.0000 0.0000 0.0824 ( 1179 PWs) bands (ev): -9.6237 -9.6237 -0.3453 -0.3453 0.3886 0.3886 0.6411 0.6411 0.9876 0.9876 1.8322 1.8322 2.1710 2.1710 2.2095 2.2095 6.8939 6.8939 7.0355 7.0355 7.2622 7.2622 9.1390 9.1390 9.4156 9.4156 15.6712 15.6712 15.7559 15.7559 15.7763 15.7763 20.4685 20.4685 20.4921 20.4921 20.7468 20.7468 24.8509 24.8509 k = 0.0000 0.0000 0.0707 ( 1179 PWs) bands (ev): -9.6339 -9.6339 -0.2275 -0.2275 0.4425 0.4425 0.6370 0.6370 0.9484 0.9484 1.8486 1.8486 2.0977 2.0977 2.1353 2.1353 6.9459 6.9459 7.0564 7.0564 7.2247 7.2247 9.1236 9.1236 9.3335 9.3335 15.7189 15.7189 15.7817 15.7817 15.7978 15.7978 20.5184 20.5184 20.5382 20.5382 20.7299 20.7299 24.8276 24.8276 k = 0.0000 0.0000 0.0589 ( 1179 PWs) bands (ev): -9.6427 -9.6427 -0.1121 -0.1121 0.4922 0.4922 0.6334 0.6334 0.8999 0.8999 1.8627 1.8627 2.0353 2.0353 2.0683 2.0683 6.9937 6.9937 7.0748 7.0748 7.1926 7.1926 9.1099 9.1099 9.2601 9.2601 15.7595 15.7595 15.8036 15.8036 15.8162 15.8162 20.5639 20.5639 20.5795 20.5795 20.7155 20.7155 24.8036 24.8036 k = 0.0000 0.0000 0.0471 ( 1179 PWs) bands (ev): -9.6498 -9.6498 -0.0001 -0.0001 0.5364 0.5364 0.6305 0.6305 0.8426 0.8426 1.8745 1.8745 1.9843 1.9843 2.0099 2.0099 7.0357 7.0357 7.0903 7.0903 7.1662 7.1662 9.0981 9.0981 9.1969 9.1969 15.7927 15.7927 15.8217 15.8217 15.8315 15.8315 20.6036 20.6036 20.6152 20.6152 20.7036 20.7036 24.7786 24.7786 k = 0.0000 0.0000 0.0353 ( 1179 PWs) bands (ev): -9.6554 -9.6554 0.1063 0.1063 0.5734 0.5734 0.6282 0.6282 0.7783 0.7783 1.8837 1.8837 1.9452 1.9452 1.9619 1.9619 7.0706 7.0706 7.1026 7.1026 7.1456 7.1456 9.0886 9.0886 9.1455 9.1455 15.8179 15.8179 15.8363 15.8363 15.8437 15.8437 20.6358 20.6358 20.6443 20.6443 20.6943 20.6943 24.7540 24.7540 k = 0.0000 0.0000 0.0236 ( 1179 PWs) bands (ev): -9.6594 -9.6594 0.2031 0.2031 0.6016 0.6016 0.6266 0.6266 0.7112 0.7112 1.8904 1.8904 1.9176 1.9176 1.9259 1.9259 7.0967 7.0967 7.1116 7.1116 7.1308 7.1308 9.0816 9.0816 9.1074 9.1074 15.8344 15.8344 15.8482 15.8482 15.8526 15.8526 20.6592 20.6592 20.6662 20.6662 20.6878 20.6878 24.7328 24.7328 k = 0.0000 0.0000 0.0118 ( 1171 PWs) bands (ev): -9.6618 -9.6618 0.2799 0.2799 0.6192 0.6192 0.6257 0.6257 0.6520 0.6520 1.8944 1.8944 1.9012 1.9012 1.9037 1.9037 7.1125 7.1125 7.1174 7.1174 7.1224 7.1224 9.0774 9.0774 9.0840 9.0840 15.8429 15.8429 15.8568 15.8568 15.8580 15.8580 20.6726 20.6726 20.6800 20.6800 20.6850 20.6850 24.7185 24.7239 k = 0.0000 0.0000 0.0000 ( 1157 PWs) bands (ev): -9.6625 -9.6625 0.3126 0.3126 0.6249 0.6249 0.6249 0.6249 0.6264 0.6264 1.8953 1.8953 1.8954 1.8954 1.8970 1.8970 7.1161 7.1161 7.1205 7.1205 7.1205 7.1205 9.0761 9.0761 9.0761 9.0761 15.8455 15.8455 15.8600 15.8600 15.8600 15.8600 20.6763 20.6763 20.6850 20.6850 20.6850 20.6850 24.7135 24.7135 k = 0.0000 0.0000 0.0000 ( 1157 PWs) bands (ev): -9.6625 -9.6625 0.3126 0.3126 0.6249 0.6249 0.6249 0.6249 0.6264 0.6264 1.8953 1.8953 1.8954 1.8954 1.8970 1.8970 7.1161 7.1161 7.1205 7.1205 7.1205 7.1205 9.0761 9.0761 9.0761 9.0761 15.8455 15.8455 15.8600 15.8600 15.8600 15.8600 20.6763 20.6763 20.6850 20.6850 20.6850 20.6850 24.7135 24.7135 k = 0.0039 0.0055 0.0096 ( 1178 PWs) bands (ev): -9.6618 -9.6618 0.2800 0.2800 0.6230 0.6230 0.6240 0.6240 0.6499 0.6499 1.8962 1.8962 1.8972 1.8972 1.9057 1.9057 7.1140 7.1140 7.1176 7.1176 7.1205 7.1205 9.0806 9.0806 9.0806 9.0806 15.8429 15.8429 15.8567 15.8567 15.8581 15.8581 20.6733 20.6733 20.6818 20.6818 20.6822 20.6822 24.7211 24.7211 k = 0.0078 0.0110 0.0191 ( 1178 PWs) bands (ev): -9.6594 -9.6594 0.2026 0.2026 0.6176 0.6176 0.6186 0.6186 0.7039 0.7039 1.8989 1.8989 1.8999 1.8999 1.9348 1.9348 7.1065 7.1065 7.1096 7.1096 7.1231 7.1231 9.0944 9.0944 9.0944 9.0944 15.8343 15.8343 15.8484 15.8484 15.8528 15.8528 20.6652 20.6652 20.6731 20.6731 20.6751 20.6751 24.7444 24.7444 k = 0.0117 0.0166 0.0287 ( 1181 PWs) bands (ev): -9.6555 -9.6555 0.1039 0.1039 0.6086 0.6086 0.6097 0.6097 0.7643 0.7643 1.9033 1.9033 1.9044 1.9044 1.9826 1.9826 7.0937 7.0937 7.0966 7.0966 7.1280 7.1280 9.1170 9.1170 9.1171 9.1171 15.8173 15.8173 15.8371 15.8371 15.8441 15.8441 20.6517 20.6517 20.6590 20.6590 20.6637 20.6637 24.7828 24.7829 k = 0.0156 0.0221 0.0383 ( 1181 PWs) bands (ev): -9.6500 -9.6500 -0.0054 -0.0054 0.5962 0.5962 0.5972 0.5972 0.8218 0.8218 1.9097 1.9097 1.9107 1.9107 2.0479 2.0479 7.0764 7.0764 7.0791 7.0791 7.1350 7.1350 9.1479 9.1479 9.1481 9.1481 15.7914 15.7914 15.8237 15.8237 15.8319 15.8319 20.6333 20.6333 20.6401 20.6401 20.6483 20.6483 24.8359 24.8360 k = 0.0195 0.0276 0.0478 ( 1181 PWs) bands (ev): -9.6429 -9.6429 -0.1208 -0.1208 0.5801 0.5801 0.5812 0.5812 0.8734 0.8734 1.9178 1.9178 1.9188 1.9188 2.1290 2.1290 7.0551 7.0551 7.0577 7.0577 7.1441 7.1441 9.1864 9.1864 9.1867 9.1867 15.7572 15.7572 15.8075 15.8075 15.8162 15.8162 20.6104 20.6104 20.6169 20.6169 20.6290 20.6290 24.9030 24.9031 k = 0.0234 0.0331 0.0574 ( 1181 PWs) bands (ev): -9.6342 -9.6342 -0.2400 -0.2400 0.5606 0.5606 0.5616 0.5616 0.9186 0.9186 1.9279 1.9279 1.9289 1.9289 2.2239 2.2239 7.0305 7.0305 7.0330 7.0330 7.1552 7.1552 9.2317 9.2317 9.2322 9.2322 15.7154 15.7154 15.7882 15.7882 15.7971 15.7971 20.5840 20.5840 20.5902 20.5902 20.6062 20.6062 24.9832 24.9834 k = 0.0273 0.0387 0.0670 ( 1181 PWs) bands (ev): -9.6241 -9.6241 -0.3614 -0.3614 0.5375 0.5375 0.5386 0.5386 0.9582 0.9582 1.9399 1.9399 1.9408 1.9408 2.3306 2.3306 7.0033 7.0033 7.0056 7.0056 7.1683 7.1683 9.2832 9.2832 9.2837 9.2837 15.6661 15.6661 15.7655 15.7655 15.7746 15.7746 20.5550 20.5550 20.5610 20.5610 20.5800 20.5800 25.0758 25.0761 k = 0.0312 0.0442 0.0765 ( 1181 PWs) bands (ev): -9.6123 -9.6123 -0.4841 -0.4841 0.5110 0.5110 0.5121 0.5121 0.9932 0.9932 1.9538 1.9538 1.9548 1.9548 2.4469 2.4469 6.9740 6.9740 6.9762 6.9762 7.1834 7.1834 9.3399 9.3399 9.3405 9.3405 15.6097 15.6097 15.7396 15.7396 15.7487 15.7487 20.5242 20.5242 20.5300 20.5300 20.5506 20.5506 25.1452 25.1452 k = 0.0352 0.0497 0.0861 ( 1178 PWs) bands (ev): -9.5991 -9.5991 -0.6075 -0.6075 0.4811 0.4811 0.4822 0.4822 1.0246 1.0246 1.9698 1.9698 1.9707 1.9707 2.5711 2.5711 6.9435 6.9435 6.9455 6.9455 7.2006 7.2006 9.4010 9.4010 9.4018 9.4018 15.5467 15.5467 15.7104 15.7104 15.7195 15.7195 20.4925 20.4925 20.4982 20.4982 20.5185 20.5185 25.2076 25.2076 k = 0.0391 0.0552 0.0957 ( 1184 PWs) bands (ev): -9.5844 -9.5844 -0.7309 -0.7309 0.4479 0.4479 0.4489 0.4489 1.0534 1.0534 1.9877 1.9877 1.9886 1.9886 2.7017 2.7017 6.9120 6.9120 6.9139 6.9139 7.2197 7.2197 9.4658 9.4658 9.4667 9.4667 15.4767 15.4767 15.6779 15.6779 15.6870 15.6870 20.4608 20.4608 20.4664 20.4664 20.4836 20.4836 25.2757 25.2757 k = 0.0430 0.0608 0.1053 ( 1178 PWs) bands (ev): -9.5682 -9.5682 -0.8540 -0.8540 0.4114 0.4114 0.4124 0.4124 1.0803 1.0803 2.0078 2.0078 2.0086 2.0086 2.8376 2.8376 6.8802 6.8802 6.8819 6.8819 7.2409 7.2409 9.5336 9.5336 9.5347 9.5347 15.4007 15.4007 15.6423 15.6423 15.6514 15.6514 20.4297 20.4297 20.4354 20.4354 20.4469 20.4469 25.3490 25.3490 k = 0.0469 0.0663 0.1148 ( 1178 PWs) bands (ev): -9.5505 -9.5505 -0.9765 -0.9765 0.3717 0.3717 0.3727 0.3727 1.1061 1.1061 2.0298 2.0298 2.0307 2.0307 2.9773 2.9773 6.8484 6.8484 6.8500 6.8500 7.2640 7.2640 9.6038 9.6038 9.6050 9.6050 15.3180 15.3180 15.6035 15.6035 15.6126 15.6126 20.3997 20.3997 20.4059 20.4059 20.4087 20.4087 25.4272 25.4272 k = 0.0508 0.0718 0.1244 ( 1169 PWs) bands (ev): -9.5314 -9.5314 -1.0979 -1.0979 0.3289 0.3289 0.3299 0.3299 1.1312 1.1312 2.0541 2.0541 2.0549 2.0549 3.1202 3.1202 6.8171 6.8171 6.8185 6.8185 7.2892 7.2892 9.6757 9.6757 9.6771 9.6771 15.2299 15.2299 15.5619 15.5619 15.5709 15.5709 20.3657 20.3657 20.3752 20.3752 20.3788 20.3788 25.5097 25.5097 k = 0.0547 0.0773 0.1340 ( 1169 PWs) bands (ev): -9.5108 -9.5108 -1.2183 -1.2183 0.2832 0.2832 0.2842 0.2842 1.1560 1.1560 2.0804 2.0804 2.0812 2.0812 3.2657 3.2657 6.7864 6.7864 6.7877 6.7877 7.3163 7.3163 9.7487 9.7487 9.7502 9.7502 15.1356 15.1356 15.5170 15.5170 15.5260 15.5260 20.3248 20.3248 20.3502 20.3502 20.3544 20.3544 25.5961 25.5961 k = 0.0586 0.0829 0.1435 ( 1169 PWs) bands (ev): -9.4890 -9.4890 -1.3372 -1.3372 0.2346 0.2346 0.2356 0.2356 1.1807 1.1807 2.1088 2.1088 2.1096 2.1096 3.4130 3.4130 6.7566 6.7566 6.7578 6.7578 7.3454 7.3454 9.8224 9.8224 9.8240 9.8240 15.0359 15.0359 15.4691 15.4691 15.4780 15.4780 20.2822 20.2822 20.3292 20.3292 20.3335 20.3335 25.6860 25.6860 k = 0.0625 0.0884 0.1531 ( 1163 PWs) bands (ev): -9.4657 -9.4657 -1.4546 -1.4546 0.1834 0.1834 0.1843 0.1843 1.2056 1.2056 2.1393 2.1393 2.1400 2.1400 3.5619 3.5619 6.7280 6.7280 6.7290 6.7290 7.3765 7.3765 9.8962 9.8962 9.8979 9.8979 14.9315 14.9315 15.4187 15.4187 15.4275 15.4275 20.2388 20.2388 20.3123 20.3123 20.3167 20.3167 25.7790 25.7790 k = 0.0664 0.0939 0.1627 ( 1169 PWs) bands (ev): -9.4412 -9.4412 -1.5703 -1.5703 0.1295 0.1295 0.1304 0.1304 1.2310 1.2310 2.1719 2.1719 2.1726 2.1726 3.7118 3.7118 6.7005 6.7005 6.7014 6.7014 7.4095 7.4095 9.9696 9.9696 9.9714 9.9714 14.8220 14.8220 15.3652 15.3652 15.3739 15.3739 20.1948 20.1948 20.2998 20.2998 20.3040 20.3040 25.8745 25.8745 k = 0.0703 0.0994 0.1722 ( 1169 PWs) bands (ev): -9.4154 -9.4154 -1.6841 -1.6841 0.0732 0.0732 0.0741 0.0741 1.2568 1.2568 2.2066 2.2066 2.2073 2.2073 3.8623 3.8623 6.6745 6.6745 6.6753 6.6753 7.4445 7.4445 10.0423 10.0423 10.0443 10.0443 14.7081 14.7081 15.3089 15.3089 15.3176 15.3176 20.1507 20.1507 20.2920 20.2920 20.2962 20.2962 25.9194 25.9199 k = 0.0742 0.1050 0.1818 ( 1169 PWs) bands (ev): -9.3884 -9.3884 -1.7959 -1.7959 0.0147 0.0147 0.0155 0.0155 1.2833 1.2833 2.2434 2.2434 2.2441 2.2441 4.0131 4.0131 6.6499 6.6499 6.6506 6.6506 7.4814 7.4814 10.1141 10.1141 10.1162 10.1162 14.5901 14.5901 15.2501 15.2501 15.2587 15.2587 20.1067 20.1067 20.2893 20.2893 20.2933 20.2933 25.8854 25.8861 k = 0.0781 0.1105 0.1914 ( 1163 PWs) bands (ev): -9.3602 -9.3602 -1.9056 -1.9056 -0.0460 -0.0460 -0.0452 -0.0452 1.3104 1.3104 2.2823 2.2823 2.2830 2.2830 4.1640 4.1640 6.6268 6.6268 6.6274 6.6274 7.5202 7.5202 10.1844 10.1844 10.1866 10.1866 14.4684 14.4684 15.1890 15.1890 15.1976 15.1976 20.0629 20.0629 20.2918 20.2918 20.2958 20.2958 25.8479 25.8488 k = 0.0820 0.1160 0.2009 ( 1163 PWs) bands (ev): -9.3309 -9.3309 -2.0130 -2.0130 -0.1086 -0.1086 -0.1078 -0.1078 1.3383 1.3383 2.3232 2.3232 2.3239 2.3239 4.3144 4.3144 6.6052 6.6052 6.6057 6.6057 7.5609 7.5609 10.2531 10.2531 10.2554 10.2554 14.3432 14.3432 15.1252 15.1252 15.1336 15.1336 20.0197 20.0197 20.2999 20.2999 20.3038 20.3038 25.8061 25.8072 k = 0.0859 0.1215 0.2105 ( 1163 PWs) bands (ev): -9.3005 -9.3005 -2.1182 -2.1182 -0.1730 -0.1730 -0.1723 -0.1723 1.3670 1.3670 2.3661 2.3661 2.3668 2.3668 4.4642 4.4642 6.5851 6.5851 6.5855 6.5855 7.6036 7.6036 10.3198 10.3198 10.3223 10.3223 14.2150 14.2150 15.0590 15.0590 15.0674 15.0674 19.9772 19.9772 20.3135 20.3135 20.3173 20.3173 25.7609 25.7621 k = 0.0898 0.1271 0.2201 ( 1169 PWs) bands (ev): -9.2691 -9.2691 -2.2208 -2.2208 -0.2391 -0.2391 -0.2384 -0.2384 1.3965 1.3965 2.4111 2.4111 2.4117 2.4117 4.6131 4.6131 6.5665 6.5665 6.5668 6.5668 7.6481 7.6481 10.3844 10.3844 10.3869 10.3869 14.0837 14.0837 14.9904 14.9904 14.9987 14.9987 19.9355 19.9355 20.3327 20.3327 20.3364 20.3364 25.7116 25.7132 k = 0.0938 0.1326 0.2296 ( 1169 PWs) bands (ev): -9.2368 -9.2368 -2.3209 -2.3209 -0.3066 -0.3066 -0.3060 -0.3060 1.4268 1.4268 2.4580 2.4580 2.4587 2.4587 4.7606 4.7606 6.5495 6.5495 6.5496 6.5496 7.6946 7.6946 10.4466 10.4466 10.4492 10.4492 13.9503 13.9503 14.9197 14.9197 14.9279 14.9279 19.8952 19.8952 20.3576 20.3576 20.3612 20.3612 25.6589 25.6607 k = 0.0977 0.1381 0.2392 ( 1169 PWs) bands (ev): -9.2035 -9.2035 -2.4183 -2.4183 -0.3755 -0.3755 -0.3749 -0.3749 1.4580 1.4580 2.5069 2.5069 2.5075 2.5075 4.9066 4.9066 6.5338 6.5338 6.5339 6.5339 7.7429 7.7429 10.5064 10.5064 10.5091 10.5091 13.8149 13.8149 14.8469 14.8469 14.8550 14.8550 19.8562 19.8562 20.3880 20.3880 20.3916 20.3916 25.6027 25.6041 k = 0.1016 0.1436 0.2488 ( 1169 PWs) bands (ev): -9.1695 -9.1695 -2.5129 -2.5129 -0.4456 -0.4456 -0.4449 -0.4449 1.4900 1.4900 2.5577 2.5577 2.5583 2.5583 5.0506 5.0506 6.5195 6.5195 6.5196 6.5196 7.7930 7.7930 10.5635 10.5635 10.5663 10.5663 13.6779 13.6779 14.7721 14.7721 14.7801 14.7801 19.8188 19.8188 20.4239 20.4239 20.4274 20.4274 25.5428 25.5430 k = 0.1055 0.1492 0.2583 ( 1169 PWs) bands (ev): -9.1347 -9.1347 -2.6046 -2.6046 -0.5166 -0.5166 -0.5161 -0.5161 1.5229 1.5229 2.6103 2.6103 2.6110 2.6110 5.1924 5.1924 6.5066 6.5066 6.5067 6.5067 7.8450 7.8450 10.6178 10.6178 10.6207 10.6207 13.5397 13.5397 14.6953 14.6953 14.7033 14.7033 19.7832 19.7832 20.4650 20.4650 20.4684 20.4684 25.4801 25.4824 k = 0.1094 0.1547 0.2679 ( 1169 PWs) bands (ev): -9.0993 -9.0993 -2.6933 -2.6933 -0.5886 -0.5886 -0.5880 -0.5880 1.5566 1.5566 2.6649 2.6649 2.6656 2.6656 5.3314 5.3314 6.4949 6.4949 6.4950 6.4950 7.8988 7.8988 10.6694 10.6694 10.6724 10.6724 13.4008 13.4008 14.6167 14.6167 14.6245 14.6245 19.7495 19.7495 20.5110 20.5110 20.5143 20.5143 25.4148 25.4171 k = 0.1133 0.1602 0.2775 ( 1163 PWs) bands (ev): -9.0633 -9.0633 -2.7790 -2.7790 -0.6614 -0.6614 -0.6609 -0.6609 1.5911 1.5911 2.7213 2.7213 2.7220 2.7220 5.4674 5.4674 6.4844 6.4844 6.4846 6.4846 7.9546 7.9546 10.7182 10.7182 10.7213 10.7213 13.2616 13.2616 14.5368 14.5368 14.5446 14.5446 19.7178 19.7178 20.5615 20.5615 20.5647 20.5647 25.3477 25.3492 k = 0.1172 0.1657 0.2870 ( 1163 PWs) bands (ev): -9.0269 -9.0269 -2.8613 -2.8613 -0.7347 -0.7347 -0.7342 -0.7342 1.6265 1.6265 2.7794 2.7794 2.7801 2.7801 5.5999 5.5999 6.4751 6.4751 6.4754 6.4754 8.0121 8.0121 10.7642 10.7642 10.7673 10.7673 13.1225 13.1225 14.4546 14.4546 14.4623 14.4623 19.6884 19.6884 20.6160 20.6160 20.6192 20.6192 25.2780 25.2780 k = 0.1211 0.1713 0.2966 ( 1148 PWs) bands (ev): -8.9900 -8.9900 -2.9402 -2.9402 -0.8084 -0.8084 -0.8080 -0.8080 1.6628 1.6628 2.8394 2.8394 2.8401 2.8401 5.7285 5.7285 6.4671 6.4671 6.4674 6.4674 8.0713 8.0713 10.8076 10.8076 10.8108 10.8108 12.9841 12.9841 14.3708 14.3708 14.3783 14.3783 19.6616 19.6616 20.6744 20.6744 20.6775 20.6775 25.2082 25.2083 k = 0.1250 0.1768 0.3062 ( 1148 PWs) bands (ev): -8.9529 -8.9529 -3.0156 -3.0156 -0.8825 -0.8825 -0.8821 -0.8821 1.6997 1.6997 2.9009 2.9009 2.9016 2.9016 5.8525 5.8525 6.4599 6.4599 6.4603 6.4603 8.1323 8.1323 10.8479 10.8479 10.8512 10.8512 12.8469 12.8469 14.2853 14.2853 14.2928 14.2928 19.6372 19.6372 20.7351 20.7351 20.7382 20.7382 25.1383 25.1407 k = 0.1289 0.1823 0.3158 ( 1148 PWs) bands (ev): -8.9157 -8.9157 -3.0874 -3.0874 -0.9569 -0.9569 -0.9565 -0.9565 1.7373 1.7373 2.9640 2.9640 2.9647 2.9647 5.9715 5.9715 6.4537 6.4537 6.4541 6.4541 8.1950 8.1950 10.8856 10.8856 10.8889 10.8889 12.7115 12.7115 14.1983 14.1983 14.2057 14.2057 19.6154 19.6154 20.7978 20.7978 20.8008 20.8008 25.0691 25.0691 k = 0.1328 0.1878 0.3253 ( 1160 PWs) bands (ev): -8.8784 -8.8784 -3.1555 -3.1555 -1.0314 -1.0314 -1.0311 -1.0311 1.7756 1.7756 3.0286 3.0286 3.0294 3.0294 6.0847 6.0847 6.4482 6.4482 6.4487 6.4487 8.2594 8.2594 10.9205 10.9205 10.9239 10.9239 12.5784 12.5784 14.1098 14.1098 14.1171 14.1171 19.5963 19.5963 20.8615 20.8615 20.8645 20.8645 25.0018 25.0020 k = 0.1367 0.1933 0.3349 ( 1166 PWs) bands (ev): -8.8412 -8.8412 -3.2197 -3.2197 -1.1058 -1.1058 -1.1055 -1.1055 1.8147 1.8147 3.0948 3.0948 3.0956 3.0956 6.1917 6.1917 6.4437 6.4437 6.4442 6.4442 8.3256 8.3256 10.9530 10.9530 10.9564 10.9564 12.4483 12.4483 14.0197 14.0197 14.0269 14.0269 19.5802 19.5802 20.9254 20.9254 20.9283 20.9283 24.9378 24.9379 k = 0.1406 0.1989 0.3445 ( 1166 PWs) bands (ev): -8.8042 -8.8042 -3.2798 -3.2798 -1.1801 -1.1801 -1.1798 -1.1798 1.8544 1.8544 3.1624 3.1624 3.1633 3.1633 6.2918 6.2918 6.4400 6.4400 6.4405 6.4405 8.3934 8.3934 10.9831 10.9831 10.9866 10.9866 12.3221 12.3221 13.9285 13.9285 13.9357 13.9357 19.5672 19.5672 20.9881 20.9881 20.9910 20.9910 24.8784 24.8784 k = 0.1445 0.2044 0.3540 ( 1160 PWs) bands (ev): -8.7675 -8.7675 -3.3357 -3.3357 -1.2542 -1.2542 -1.2539 -1.2539 1.8947 1.8947 3.2314 3.2314 3.2323 3.2323 6.3843 6.3843 6.4370 6.4370 6.4376 6.4376 8.4630 8.4630 11.0109 11.0109 11.0144 11.0144 12.2004 12.2004 13.8361 13.8361 13.8432 13.8432 19.5574 19.5574 21.0485 21.0485 21.0513 21.0513 24.8251 24.8279 k = 0.1484 0.2099 0.3636 ( 1166 PWs) bands (ev): -8.7314 -8.7314 -3.3874 -3.3874 -1.3279 -1.3279 -1.3277 -1.3277 1.9355 1.9355 3.3017 3.3017 3.3026 3.3026 6.4347 6.4347 6.4353 6.4353 6.4684 6.4684 8.5341 8.5341 11.0365 11.0365 11.0400 11.0400 12.0840 12.0840 13.7425 13.7425 13.7495 13.7495 19.5508 19.5508 21.1051 21.1051 21.1079 21.1079 24.7789 24.7790 k = 0.1523 0.2154 0.3732 ( 1169 PWs) bands (ev): -8.6958 -8.6958 -3.4346 -3.4346 -1.4013 -1.4013 -1.4010 -1.4010 1.9769 1.9769 3.3732 3.3732 3.3741 3.3741 6.4329 6.4329 6.4335 6.4335 6.5433 6.5433 8.6069 8.6069 11.0600 11.0600 11.0635 11.0635 11.9736 11.9736 13.6478 13.6478 13.6547 13.6547 19.5475 19.5475 21.1567 21.1567 21.1595 21.1595 24.7416 24.7416 k = 0.1562 0.2210 0.3827 ( 1169 PWs) bands (ev): -8.6609 -8.6609 -3.4771 -3.4771 -1.4741 -1.4741 -1.4739 -1.4739 2.0188 2.0188 3.4459 3.4459 3.4468 3.4468 6.4318 6.4318 6.4324 6.4324 6.6083 6.6083 8.6812 8.6812 11.0815 11.0815 11.0851 11.0851 11.8700 11.8700 13.5521 13.5521 13.5589 13.5589 19.5476 19.5476 21.2019 21.2019 21.2047 21.2047 24.7146 24.7146 k = 0.1602 0.2265 0.3923 ( 1175 PWs) bands (ev): -8.6269 -8.6269 -3.5150 -3.5150 -1.5463 -1.5463 -1.5462 -1.5462 2.0611 2.0611 3.5195 3.5195 3.5205 3.5205 6.4311 6.4311 6.4318 6.4318 6.6624 6.6624 8.7571 8.7571 11.1010 11.1010 11.1046 11.1046 11.7741 11.7741 13.4554 13.4554 13.4622 13.4622 19.5511 19.5511 21.2395 21.2395 21.2423 21.2423 24.6992 24.6992 k = 0.1641 0.2320 0.4019 ( 1175 PWs) bands (ev): -8.5938 -8.5938 -3.5480 -3.5480 -1.6179 -1.6179 -1.6178 -1.6178 2.1039 2.1039 3.5941 3.5941 3.5952 3.5952 6.4310 6.4310 6.4316 6.4316 6.7052 6.7052 8.8345 8.8345 11.1189 11.1189 11.1226 11.1226 11.6865 11.6865 13.3580 13.3580 13.3647 13.3647 19.5582 19.5582 21.2683 21.2683 21.2711 21.2711 24.6966 24.6966 k = 0.1680 0.2375 0.4114 ( 1175 PWs) bands (ev): -8.5619 -8.5619 -3.5760 -3.5760 -1.6888 -1.6888 -1.6886 -1.6886 2.1469 2.1469 3.6696 3.6696 3.6707 3.6707 6.4314 6.4314 6.4320 6.4320 6.7360 6.7360 8.9135 8.9135 11.1351 11.1351 11.1388 11.1388 11.6079 11.6079 13.2600 13.2600 13.2665 13.2665 19.5687 19.5687 21.2875 21.2875 21.2903 21.2903 24.7075 24.7075 k = 0.1719 0.2431 0.4210 ( 1175 PWs) bands (ev): -8.5313 -8.5313 -3.5988 -3.5988 -1.7588 -1.7588 -1.7587 -1.7587 2.1901 2.1901 3.7457 3.7457 3.7469 3.7469 6.4322 6.4322 6.4328 6.4328 6.7542 6.7542 8.9940 8.9940 11.1497 11.1497 11.1534 11.1534 11.5389 11.5389 13.1614 13.1614 13.1679 13.1679 19.5828 19.5828 21.2968 21.2968 21.2996 21.2996 24.7324 24.7324 k = 0.1758 0.2486 0.4306 ( 1169 PWs) bands (ev): -8.5020 -8.5020 -3.6164 -3.6164 -1.8279 -1.8279 -1.8278 -1.8278 2.2336 2.2336 3.8226 3.8226 3.8238 3.8238 6.4334 6.4334 6.4340 6.4340 6.7596 6.7596 9.0762 9.0762 11.1628 11.1628 11.1665 11.1665 11.4799 11.4799 13.0624 13.0624 13.0689 13.0689 19.6004 19.6004 21.2959 21.2959 21.2988 21.2988 24.7714 24.7714 k = 0.1797 0.2541 0.4401 ( 1169 PWs) bands (ev): -8.4742 -8.4742 -3.6287 -3.6287 -1.8961 -1.8961 -1.8960 -1.8960 2.2771 2.2771 3.8998 3.8998 3.9010 3.9010 6.4351 6.4351 6.4357 6.4357 6.7518 6.7518 9.1596 9.1596 11.1743 11.1743 11.1780 11.1780 11.4308 11.4308 12.9633 12.9633 12.9697 12.9697 19.6216 19.6216 21.2852 21.2852 21.2881 21.2881 24.8239 24.8239 k = 0.1836 0.2596 0.4497 ( 1169 PWs) bands (ev): -8.4479 -8.4479 -3.6355 -3.6355 -1.9634 -1.9634 -1.9633 -1.9633 2.3206 2.3206 3.9773 3.9773 3.9786 3.9786 6.4372 6.4372 6.4378 6.4378 6.7309 6.7309 9.2444 9.2444 11.1842 11.1842 11.1879 11.1879 11.3920 11.3920 12.8643 12.8643 12.8706 12.8706 19.6462 19.6462 21.2653 21.2653 21.2682 21.2682 24.8892 24.8892 k = 0.1875 0.2652 0.4593 ( 1175 PWs) bands (ev): -8.4233 -8.4233 -3.6368 -3.6368 -2.0295 -2.0295 -2.0294 -2.0294 2.3640 2.3640 4.0550 4.0550 4.0563 4.0563 6.4397 6.4397 6.4402 6.4402 6.6972 6.6972 9.3306 9.3306 11.1925 11.1925 11.1961 11.1961 11.3626 11.3626 12.7655 12.7655 12.7717 12.7717 19.6743 19.6743 21.2370 21.2370 21.2400 21.2400 24.9661 24.9661 k = 0.1914 0.2707 0.4688 ( 1169 PWs) bands (ev): -8.4003 -8.4003 -3.6325 -3.6325 -2.0945 -2.0945 -2.0944 -2.0944 2.4073 2.4073 4.1327 4.1327 4.1341 4.1341 6.4427 6.4427 6.4432 6.4432 6.6513 6.6513 9.4182 9.4182 11.1991 11.1991 11.2027 11.2027 11.3432 11.3432 12.6676 12.6676 12.6738 12.6738 19.7057 19.7057 21.2016 21.2016 21.2046 21.2046 25.0536 25.0537 k = 0.1953 0.2762 0.4784 ( 1169 PWs) bands (ev): -8.3792 -8.3792 -3.6225 -3.6225 -2.1584 -2.1584 -2.1583 -2.1583 2.4501 2.4501 4.2101 4.2101 4.2116 4.2116 6.4460 6.4460 6.4465 6.4465 6.5938 6.5938 9.5072 9.5072 11.2038 11.2038 11.2074 11.2074 11.3327 11.3327 12.5705 12.5705 12.5766 12.5766 19.7404 19.7404 21.1601 21.1601 21.1630 21.1630 25.1497 25.1497 k = 0.1992 0.2817 0.4880 ( 1169 PWs) bands (ev): -8.3598 -8.3598 -3.6069 -3.6069 -2.2211 -2.2211 -2.2210 -2.2210 2.4925 2.4925 4.2872 4.2872 4.2887 4.2887 6.4498 6.4498 6.4502 6.4502 6.5254 6.5254 9.5974 9.5974 11.2065 11.2065 11.2101 11.2101 11.3304 11.3304 12.4748 12.4748 12.4809 12.4809 19.7783 19.7783 21.1136 21.1136 21.1166 21.1166 25.2530 25.2530 k = 0.2031 0.2873 0.4976 ( 1169 PWs) bands (ev): -8.3423 -8.3423 -3.5857 -3.5857 -2.2825 -2.2825 -2.2824 -2.2824 2.5342 2.5342 4.3636 4.3636 4.3653 4.3653 6.4472 6.4472 6.4539 6.4539 6.4543 6.4543 9.6889 9.6889 11.2068 11.2068 11.2104 11.2104 11.3356 11.3356 12.3810 12.3810 12.3872 12.3872 19.8192 19.8192 21.0634 21.0634 21.0664 21.0664 25.3618 25.3619 k = 0.2070 0.2928 0.5071 ( 1175 PWs) bands (ev): -8.3267 -8.3267 -3.5588 -3.5588 -2.3428 -2.3428 -2.3427 -2.3427 2.5751 2.5751 4.4393 4.4393 4.4410 4.4410 6.3603 6.3603 6.4585 6.4585 6.4588 6.4588 9.7816 9.7816 11.2044 11.2044 11.2080 11.2080 11.3474 11.3474 12.2899 12.2899 12.2960 12.2960 19.8630 19.8630 21.0105 21.0105 21.0135 21.0135 25.4745 25.4745 k = 0.2109 0.2983 0.5167 ( 1175 PWs) bands (ev): -8.3127 -8.3127 -3.5263 -3.5263 -2.4016 -2.4016 -2.4015 -2.4015 2.6149 2.6149 4.5139 4.5139 4.5157 4.5157 6.2656 6.2656 6.4634 6.4634 6.4637 6.4637 9.8755 9.8755 11.1988 11.1988 11.2023 11.2023 11.3648 11.3648 12.2021 12.2021 12.2082 12.2082 19.9096 19.9096 20.9560 20.9560 20.9591 20.9591 25.5893 25.5894 k = 0.2148 0.3038 0.5263 ( 1175 PWs) bands (ev): -8.3005 -8.3005 -3.4881 -3.4881 -2.4590 -2.4590 -2.4589 -2.4589 2.6534 2.6534 4.5873 4.5873 4.5891 4.5891 6.1645 6.1645 6.4687 6.4687 6.4690 6.4690 9.9706 9.9706 11.1895 11.1895 11.1929 11.1929 11.3870 11.3870 12.1185 12.1185 12.1246 12.1246 19.9588 19.9588 20.9009 20.9009 20.9039 20.9039 25.7045 25.7045 k = 0.2188 0.3094 0.5358 ( 1178 PWs) bands (ev): -8.2900 -8.2900 -3.4445 -3.4445 -2.5150 -2.5150 -2.5149 -2.5149 2.6902 2.6902 4.6591 4.6591 4.6610 4.6610 6.0579 6.0579 6.4743 6.4743 6.4745 6.4745 10.0669 10.0669 11.1756 11.1756 11.1790 11.1790 11.4132 11.4132 12.0402 12.0402 12.0462 12.0462 20.0103 20.0103 20.8459 20.8459 20.8489 20.8489 25.8183 25.8184 k = 0.2227 0.3149 0.5454 ( 1172 PWs) bands (ev): -8.2811 -8.2811 -3.3954 -3.3954 -2.5696 -2.5696 -2.5695 -2.5695 2.7252 2.7252 4.7293 4.7293 4.7313 4.7313 5.9471 5.9471 6.4801 6.4801 6.4803 6.4803 10.1643 10.1643 11.1567 11.1567 11.1601 11.1601 11.4426 11.4426 11.9681 11.9681 11.9741 11.9741 20.0641 20.0641 20.7918 20.7918 20.7948 20.7948 25.9290 25.9290 k = 0.2266 0.3204 0.5550 ( 1172 PWs) bands (ev): -8.2738 -8.2738 -3.3409 -3.3409 -2.6227 -2.6227 -2.6226 -2.6226 2.7577 2.7577 4.7975 4.7975 4.7996 4.7996 5.8332 5.8332 6.4860 6.4860 6.4861 6.4861 10.2627 10.2627 11.1319 11.1319 11.1353 11.1353 11.4744 11.4744 11.9032 11.9032 11.9092 11.9092 20.1198 20.1198 20.7391 20.7391 20.7422 20.7422 26.0349 26.0349 k = 0.2305 0.3259 0.5645 ( 1172 PWs) bands (ev): -8.2678 -8.2678 -3.2813 -3.2813 -2.6744 -2.6744 -2.6742 -2.6742 2.7873 2.7873 4.8635 4.8635 4.8657 4.8657 5.7176 5.7176 6.4917 6.4917 6.4918 6.4918 10.3621 10.3621 11.1009 11.1009 11.1043 11.1043 11.5079 11.5079 11.8464 11.8464 11.8523 11.8523 20.1774 20.1774 20.6886 20.6886 20.6916 20.6916 26.1340 26.1340 k = 0.2344 0.3315 0.5741 ( 1166 PWs) bands (ev): -8.2632 -8.2632 -3.2164 -3.2164 -2.7245 -2.7245 -2.7243 -2.7243 2.8134 2.8134 4.9273 4.9273 4.9295 4.9295 5.6014 5.6014 6.4972 6.4972 6.4973 6.4973 10.4626 10.4626 11.0639 11.0639 11.0673 11.0673 11.5428 11.5428 11.7979 11.7979 11.8038 11.8038 20.2367 20.2367 20.6407 20.6407 20.6438 20.6438 26.2250 26.2252 k = 0.2383 0.3370 0.5837 ( 1160 PWs) bands (ev): -8.2599 -8.2599 -3.1467 -3.1467 -2.7730 -2.7730 -2.7728 -2.7728 2.8353 2.8353 4.9885 4.9885 4.9907 4.9907 5.4857 5.4857 6.5022 6.5022 6.5022 6.5022 10.5640 10.5640 11.0213 11.0213 11.0247 11.0247 11.5780 11.5780 11.7578 11.7578 11.7636 11.7636 20.2971 20.2971 20.5958 20.5958 20.5988 20.5988 26.3057 26.3057 k = 0.2422 0.3425 0.5932 ( 1160 PWs) bands (ev): -8.2577 -8.2577 -3.0721 -3.0721 -2.8200 -2.8200 -2.8198 -2.8198 2.8522 2.8522 5.0469 5.0469 5.0492 5.0492 5.3720 5.3720 6.5062 6.5062 6.5062 6.5062 10.6663 10.6663 10.9741 10.9741 10.9776 10.9776 11.6134 11.6134 11.7255 11.7255 11.7311 11.7311 20.3587 20.3587 20.5544 20.5544 20.5573 20.5573 26.3746 26.3746 k = 0.2461 0.3480 0.6028 ( 1160 PWs) bands (ev): -8.2564 -8.2564 -2.9929 -2.9929 -2.8654 -2.8654 -2.8652 -2.8652 2.8632 2.8632 5.1024 5.1024 5.1048 5.1048 5.2618 5.2618 6.5089 6.5089 6.5089 6.5089 10.7694 10.7694 10.9238 10.9238 10.9273 10.9273 11.6483 11.6483 11.7002 11.7002 11.7056 11.7056 20.4211 20.4211 20.5166 20.5166 20.5195 20.5195 26.4306 26.4347 k = 0.2500 0.3536 0.6124 ( 1160 PWs) bands (ev): -8.2560 -8.2560 -2.9093 -2.9093 -2.9090 -2.9090 -2.9090 -2.9090 2.8671 2.8671 5.1551 5.1551 5.1552 5.1552 5.1588 5.1588 6.5099 6.5099 6.5099 6.5099 10.8700 10.8700 10.8753 10.8753 10.8754 10.8754 11.6774 11.6774 11.6859 11.6859 11.6859 11.6859 20.4813 20.4813 20.4857 20.4857 20.4858 20.4858 26.4706 26.4706 k = 0.2500 0.3536 0.6124 ( 1160 PWs) bands (ev): -8.2560 -8.2560 -2.9093 -2.9093 -2.9090 -2.9090 -2.9090 -2.9090 2.8671 2.8671 5.1551 5.1551 5.1552 5.1552 5.1588 5.1588 6.5099 6.5099 6.5099 6.5099 10.8700 10.8700 10.8753 10.8753 10.8754 10.8754 11.6774 11.6774 11.6859 11.6859 11.6859 11.6859 20.4813 20.4813 20.4857 20.4857 20.4858 20.4858 26.4706 26.4706 k = 0.2539 0.3425 0.6124 ( 1160 PWs) bands (ev): -8.2564 -8.2564 -2.9514 -2.9514 -2.9512 -2.9512 -2.8210 -2.8210 2.8628 2.8628 5.0573 5.0573 5.2049 5.2049 5.2074 5.2074 6.5087 6.5087 6.5087 6.5087 10.8197 10.8197 10.8233 10.8233 10.9785 10.9785 11.6653 11.6653 11.6712 11.6712 11.7168 11.7168 20.4532 20.4532 20.4562 20.4562 20.5479 20.5479 26.4053 26.4053 k = 0.2578 0.3315 0.6124 ( 1160 PWs) bands (ev): -8.2573 -8.2573 -2.9920 -2.9920 -2.9917 -2.9917 -2.7286 -2.7286 2.8491 2.8491 4.9663 4.9663 5.2516 5.2516 5.2541 5.2541 6.5048 6.5048 6.5048 6.5048 10.7689 10.7689 10.7726 10.7726 11.0840 11.0840 11.6550 11.6550 11.6607 11.6607 11.7489 11.7489 20.4281 20.4281 20.4311 20.4311 20.6118 20.6118 26.3366 26.3366 k = 0.2617 0.3204 0.6124 ( 1160 PWs) bands (ev): -8.2588 -8.2588 -3.0309 -3.0309 -3.0306 -3.0306 -2.6321 -2.6321 2.8249 2.8249 4.8847 4.8847 5.2955 5.2955 5.2980 5.2980 6.4975 6.4975 6.4975 6.4975 10.7207 10.7207 10.7244 10.7244 11.1903 11.1903 11.6481 11.6481 11.6537 11.6537 11.7794 11.7794 20.4076 20.4076 20.4105 20.4105 20.6758 20.6758 26.2686 26.2686 k = 0.2656 0.3094 0.6124 ( 1160 PWs) bands (ev): -8.2606 -8.2606 -3.0682 -3.0682 -3.0679 -3.0679 -2.5317 -2.5317 2.7893 2.7893 4.8137 4.8137 5.3365 5.3365 5.3390 5.3390 6.4863 6.4863 6.4863 6.4863 10.6758 10.6758 10.6795 10.6795 11.2973 11.2973 11.6443 11.6443 11.6498 11.6498 11.8083 11.8083 20.3918 20.3918 20.3947 20.3947 20.7397 20.7397 26.2011 26.2011 k = 0.2695 0.2983 0.6124 ( 1169 PWs) bands (ev): -8.2627 -8.2627 -3.1038 -3.1038 -3.1035 -3.1035 -2.4276 -2.4276 2.7415 2.7415 4.7541 4.7541 5.3747 5.3747 5.3773 5.3773 6.4705 6.4705 6.4705 6.4705 10.6351 10.6351 10.6388 10.6388 11.4049 11.4049 11.6432 11.6432 11.6487 11.6487 11.8350 11.8350 20.3807 20.3807 20.3835 20.3835 20.8034 20.8034 26.1339 26.1339 k = 0.2734 0.2873 0.6124 ( 1163 PWs) bands (ev): -8.2648 -8.2648 -3.1377 -3.1377 -3.1375 -3.1375 -2.3196 -2.3196 2.6816 2.6816 4.7064 4.7064 5.4104 5.4104 5.4130 5.4130 6.4498 6.4498 6.4498 6.4498 10.5992 10.5992 10.6028 10.6028 11.5131 11.5131 11.6451 11.6451 11.6506 11.6506 11.8599 11.8599 20.3745 20.3745 20.3774 20.3774 20.8670 20.8670 26.0673 26.0673 k = 0.2773 0.2762 0.6124 ( 1169 PWs) bands (ev): -8.2671 -8.2671 -3.1700 -3.1700 -3.1697 -3.1697 -2.2083 -2.2083 2.6096 2.6096 4.6703 4.6703 5.4437 5.4437 5.4462 5.4462 6.4236 6.4236 6.4236 6.4236 10.5681 10.5681 10.5717 10.5717 11.6218 11.6218 11.6498 11.6498 11.6553 11.6553 11.8823 11.8823 20.3732 20.3732 20.3761 20.3761 20.9301 20.9301 26.0010 26.0010 k = 0.2812 0.2652 0.6124 ( 1169 PWs) bands (ev): -8.2693 -8.2693 -3.2006 -3.2006 -3.2003 -3.2003 -2.0938 -2.0938 2.5265 2.5265 4.6457 4.6457 5.4747 5.4747 5.4772 5.4772 6.3916 6.3916 6.3916 6.3916 10.5421 10.5421 10.5457 10.5457 11.6576 11.6576 11.6631 11.6631 11.7311 11.7311 11.9023 11.9023 20.3769 20.3769 20.3797 20.3797 20.9927 20.9927 25.9350 25.9350 k = 0.2852 0.2541 0.6124 ( 1169 PWs) bands (ev): -8.2714 -8.2714 -3.2295 -3.2295 -3.2291 -3.2291 -1.9762 -1.9762 2.4332 2.4332 4.6315 4.6315 5.5035 5.5035 5.5060 5.5060 6.3536 6.3536 6.3536 6.3536 10.5210 10.5210 10.5245 10.5245 11.6688 11.6688 11.6743 11.6743 11.8408 11.8408 11.9198 11.9198 20.3854 20.3854 20.3882 20.3882 21.0547 21.0547 25.8692 25.8692 k = 0.2891 0.2431 0.6124 ( 1169 PWs) bands (ev): -8.2732 -8.2732 -3.2566 -3.2566 -3.2563 -3.2563 -1.8556 -1.8556 2.3311 2.3311 4.6265 4.6265 5.5304 5.5304 5.5329 5.5329 6.3095 6.3095 6.3095 6.3095 10.5042 10.5042 10.5076 10.5076 11.6838 11.6838 11.6893 11.6893 11.9346 11.9346 11.9510 11.9510 20.3988 20.3988 20.4015 20.4015 21.1162 21.1162 25.8034 25.8034 k = 0.2930 0.2320 0.6124 ( 1169 PWs) bands (ev): -8.2747 -8.2747 -3.2821 -3.2821 -3.2818 -3.2818 -1.7323 -1.7323 2.2214 2.2214 4.6297 4.6297 5.5553 5.5553 5.5578 5.5578 6.2593 6.2593 6.2593 6.2593 10.4912 10.4912 10.4946 10.4946 11.7032 11.7032 11.7087 11.7087 11.9466 11.9466 12.0615 12.0615 20.4169 20.4169 20.4196 20.4196 21.1772 21.1772 25.7376 25.7376 k = 0.2969 0.2210 0.6124 ( 1181 PWs) bands (ev): -8.2758 -8.2758 -3.3060 -3.3060 -3.3057 -3.3057 -1.6064 -1.6064 2.1055 2.1055 4.6398 4.6398 5.5780 5.5780 5.5805 5.5805 6.2032 6.2032 6.2033 6.2033 10.4812 10.4812 10.4845 10.4845 11.7273 11.7273 11.7329 11.7329 11.9557 11.9557 12.1720 12.1720 20.4397 20.4397 20.4424 20.4424 21.2375 21.2375 25.6715 25.6715 k = 0.3008 0.2099 0.6124 ( 1184 PWs) bands (ev): -8.2764 -8.2764 -3.3282 -3.3282 -3.3278 -3.3278 -1.4780 -1.4780 1.9847 1.9847 4.6559 4.6559 5.5990 5.5990 5.6015 5.6015 6.1420 6.1420 6.1420 6.1420 10.4734 10.4734 10.4765 10.4765 11.7572 11.7572 11.7627 11.7627 11.9617 11.9617 12.2830 12.2830 20.4672 20.4672 20.4699 20.4699 21.2973 21.2973 25.6055 25.6055 k = 0.3047 0.1989 0.6124 ( 1184 PWs) bands (ev): -8.2765 -8.2765 -3.3486 -3.3486 -3.3482 -3.3482 -1.3476 -1.3476 1.8601 1.8601 4.6770 4.6770 5.6174 5.6174 5.6199 5.6199 6.0764 6.0764 6.0765 6.0765 10.4667 10.4667 10.4698 10.4698 11.7931 11.7931 11.7987 11.7987 11.9648 11.9648 12.3944 12.3944 20.4992 20.4992 20.5019 20.5019 21.3567 21.3567 25.5392 25.5392 k = 0.3086 0.1878 0.6124 ( 1190 PWs) bands (ev): -8.2760 -8.2760 -3.3674 -3.3674 -3.3670 -3.3670 -1.2153 -1.2153 1.7327 1.7327 4.7022 4.7022 5.6322 5.6322 5.6346 5.6346 6.0080 6.0080 6.0081 6.0081 10.4601 10.4601 10.4631 10.4631 11.8355 11.8355 11.8411 11.8411 11.9646 11.9646 12.5058 12.5058 20.5355 20.5355 20.5382 20.5382 21.4157 21.4157 25.4726 25.4726 k = 0.3125 0.1768 0.6124 ( 1190 PWs) bands (ev): -8.2748 -8.2748 -3.3845 -3.3845 -3.3841 -3.3841 -1.0816 -1.0816 1.6039 1.6039 4.7310 4.7310 5.6408 5.6408 5.6431 5.6431 5.9402 5.9402 5.9402 5.9402 10.4529 10.4529 10.4559 10.4559 11.8850 11.8850 11.8907 11.8907 11.9614 11.9614 12.6174 12.6174 20.5761 20.5761 20.5787 20.5787 21.4744 21.4744 25.4056 25.4056 k = 0.3164 0.1657 0.6124 ( 1190 PWs) bands (ev): -8.2729 -8.2729 -3.3999 -3.3999 -3.3996 -3.3996 -0.9468 -0.9468 1.4745 1.4745 4.7626 4.7626 5.6370 5.6370 5.6391 5.6391 5.8795 5.8795 5.8797 5.8797 10.4442 10.4442 10.4471 10.4471 11.9410 11.9410 11.9476 11.9476 11.9559 11.9559 12.7291 12.7291 20.6207 20.6207 20.6232 20.6232 21.5327 21.5327 25.3382 25.3382 k = 0.3203 0.1547 0.6124 ( 1184 PWs) bands (ev): -8.2703 -8.2703 -3.4137 -3.4137 -3.4134 -3.4134 -0.8117 -0.8117 1.3456 1.3456 4.7967 4.7967 5.6100 5.6100 5.6116 5.6116 5.8373 5.8373 5.8380 5.8380 10.4336 10.4336 10.4364 10.4364 11.9447 11.9447 12.0069 12.0069 12.0121 12.0121 12.8409 12.8409 20.6691 20.6691 20.6717 20.6717 21.5908 21.5908 25.2703 25.2703 k = 0.3242 0.1436 0.6124 ( 1184 PWs) bands (ev): -8.2669 -8.2669 -3.4259 -3.4259 -3.4255 -3.4255 -0.6773 -0.6773 1.2186 1.2186 4.8327 4.8327 5.5539 5.5539 5.5550 5.5550 5.8203 5.8203 5.8214 5.8214 10.4201 10.4201 10.4229 10.4229 11.9316 11.9316 12.0786 12.0786 12.0839 12.0839 12.9526 12.9526 20.7212 20.7212 20.7238 20.7238 21.6487 21.6487 25.2019 25.2019 k = 0.3281 0.1326 0.6124 ( 1184 PWs) bands (ev): -8.2627 -8.2627 -3.4365 -3.4365 -3.4361 -3.4361 -0.5451 -0.5451 1.0954 1.0954 4.8704 4.8704 5.4761 5.4761 5.4768 5.4768 5.8213 5.8213 5.8227 5.8227 10.4037 10.4037 10.4065 10.4065 11.9151 11.9151 12.1577 12.1577 12.1630 12.1630 13.0642 13.0642 20.7767 20.7767 20.7793 20.7793 21.7064 21.7064 25.1328 25.1328 k = 0.3320 0.1215 0.6124 ( 1178 PWs) bands (ev): -8.2576 -8.2576 -3.4454 -3.4454 -3.4450 -3.4450 -0.4175 -0.4175 0.9789 0.9789 4.9095 4.9095 5.3861 5.3861 5.3866 5.3866 5.8317 5.8317 5.8333 5.8333 10.3842 10.3842 10.3869 10.3869 11.8952 11.8952 12.2439 12.2439 12.2492 12.2492 13.1758 13.1758 20.8354 20.8354 20.8379 20.8379 21.7640 21.7640 25.0632 25.0632 k = 0.3359 0.1105 0.6124 ( 1181 PWs) bands (ev): -8.2516 -8.2516 -3.4528 -3.4528 -3.4524 -3.4524 -0.2992 -0.2992 0.8735 0.8735 4.9496 4.9496 5.2890 5.2890 5.2893 5.2893 5.8467 5.8467 5.8484 5.8484 10.3614 10.3614 10.3642 10.3642 11.8717 11.8717 12.3366 12.3366 12.3419 12.3419 13.2871 13.2871 20.8970 20.8970 20.8996 20.8996 21.8214 21.8214 24.9928 24.9928 k = 0.3398 0.0994 0.6124 ( 1181 PWs) bands (ev): -8.2448 -8.2448 -3.4586 -3.4586 -3.4582 -3.4582 -0.1980 -0.1980 0.7875 0.7875 4.9906 4.9906 5.1872 5.1872 5.1875 5.1875 5.8644 5.8644 5.8661 5.8661 10.3355 10.3355 10.3382 10.3382 11.8446 11.8446 12.4355 12.4355 12.4407 12.4407 13.3981 13.3981 20.9614 20.9614 20.9639 20.9639 21.8786 21.8786 24.9218 24.9218 k = 0.3438 0.0884 0.6124 ( 1184 PWs) bands (ev): -8.2371 -8.2371 -3.4629 -3.4629 -3.4625 -3.4625 -0.1268 -0.1268 0.7337 0.7337 5.0323 5.0323 5.0822 5.0822 5.0824 5.0824 5.8838 5.8838 5.8856 5.8856 10.3064 10.3064 10.3091 10.3091 11.8139 11.8139 12.5400 12.5400 12.5452 12.5452 13.5088 13.5088 21.0281 21.0281 21.0306 21.0306 21.9354 21.9354 24.8501 24.8501 k = 0.3477 0.0773 0.6124 ( 1178 PWs) bands (ev): -8.2284 -8.2284 -3.4657 -3.4657 -3.4653 -3.4653 -0.1003 -0.1003 0.7274 0.7274 4.9749 4.9749 4.9751 4.9751 5.0745 5.0745 5.9046 5.9046 5.9063 5.9063 10.2745 10.2745 10.2772 10.2772 11.7798 11.7798 12.6498 12.6498 12.6549 12.6549 13.6192 13.6192 21.0970 21.0970 21.0995 21.0995 21.9919 21.9919 24.7777 24.7777 k = 0.3516 0.0663 0.6124 ( 1184 PWs) bands (ev): -8.2188 -8.2188 -3.4670 -3.4670 -3.4666 -3.4666 -0.1242 -0.1242 0.7740 0.7740 4.8658 4.8658 4.8660 4.8660 5.1172 5.1172 5.9264 5.9264 5.9281 5.9281 10.2396 10.2396 10.2423 10.2423 11.7419 11.7419 12.7641 12.7641 12.7692 12.7692 13.7291 13.7291 21.1675 21.1675 21.1700 21.1700 22.0476 22.0476 24.7045 24.7045 k = 0.3555 0.0552 0.6124 ( 1184 PWs) bands (ev): -8.2083 -8.2083 -3.4669 -3.4669 -3.4664 -3.4664 -0.1882 -0.1882 0.8633 0.8633 4.7556 4.7556 4.7557 4.7557 5.1602 5.1602 5.9491 5.9491 5.9509 5.9509 10.2021 10.2021 10.2048 10.2048 11.7005 11.7005 12.8827 12.8827 12.8877 12.8877 13.8385 13.8385 21.2395 21.2395 21.2421 21.2421 22.1027 22.1027 24.6307 24.6307 k = 0.3594 0.0442 0.6124 ( 1184 PWs) bands (ev): -8.1969 -8.1969 -3.4653 -3.4653 -3.4649 -3.4649 -0.2773 -0.2773 0.9805 0.9805 4.6447 4.6447 4.6447 4.6447 5.2034 5.2034 5.9727 5.9727 5.9745 5.9745 10.1621 10.1621 10.1648 10.1648 11.6555 11.6555 13.0048 13.0048 13.0098 13.0098 13.9474 13.9474 21.3126 21.3126 21.3152 21.3152 22.1565 22.1565 24.5562 24.5562 k = 0.3633 0.0331 0.6124 ( 1178 PWs) bands (ev): -8.1846 -8.1846 -3.4624 -3.4624 -3.4619 -3.4619 -0.3805 -0.3805 1.1147 1.1147 4.5332 4.5332 4.5333 4.5333 5.2468 5.2468 5.9972 5.9972 5.9990 5.9990 10.1199 10.1199 10.1226 10.1226 11.6070 11.6070 13.1302 13.1302 13.1352 13.1352 14.0557 14.0557 21.3865 21.3865 21.3891 21.3891 22.2087 22.2087 24.4812 24.4812 k = 0.3672 0.0221 0.6124 ( 1178 PWs) bands (ev): -8.1714 -8.1714 -3.4581 -3.4581 -3.4576 -3.4576 -0.4915 -0.4915 1.2593 1.2593 4.4217 4.4217 4.4217 4.4217 5.2901 5.2901 6.0225 6.0225 6.0243 6.0243 10.0755 10.0755 10.0782 10.0782 11.5548 11.5548 13.2583 13.2583 13.2632 13.2632 14.1632 14.1632 21.4607 21.4607 21.4633 21.4633 22.2588 22.2588 24.4055 24.4055 k = 0.3711 0.0110 0.6124 ( 1184 PWs) bands (ev): -8.1573 -8.1573 -3.4526 -3.4526 -3.4521 -3.4521 -0.6067 -0.6067 1.4107 1.4107 4.3102 4.3102 4.3102 4.3102 5.3335 5.3335 6.0487 6.0487 6.0505 6.0505 10.0291 10.0291 10.0319 10.0319 11.4989 11.4989 13.3886 13.3886 13.3935 13.3935 14.2700 14.2700 21.5347 21.5347 21.5373 21.5373 22.3061 22.3061 24.3293 24.3293 k = 0.3750-0.0000 0.6124 ( 1184 PWs) bands (ev): -8.1424 -8.1424 -3.4458 -3.4458 -3.4453 -3.4453 -0.7236 -0.7236 1.5667 1.5667 4.1992 4.1992 4.1992 4.1992 5.3768 5.3768 6.0757 6.0757 6.0775 6.0775 9.9810 9.9810 9.9838 9.9838 11.4396 11.4396 13.5208 13.5208 13.5257 13.5257 14.3759 14.3759 21.6082 21.6082 21.6109 21.6109 22.3498 22.3498 24.2527 24.2527 k = 0.3789-0.0110 0.6124 ( 1184 PWs) bands (ev): -8.1266 -8.1266 -3.4377 -3.4377 -3.4372 -3.4372 -0.8410 -0.8410 1.7262 1.7262 4.0889 4.0889 4.0889 4.0889 5.4200 5.4200 6.1035 6.1035 6.1053 6.1053 9.9313 9.9313 9.9341 9.9341 11.3767 11.3767 13.6545 13.6545 13.6593 13.6593 14.4809 14.4809 21.6809 21.6809 21.6835 21.6835 22.3892 22.3892 24.1757 24.1757 k = 0.3828-0.0221 0.6124 ( 1174 PWs) bands (ev): -8.1100 -8.1100 -3.4285 -3.4285 -3.4280 -3.4280 -0.9581 -0.9581 1.8881 1.8881 3.9795 3.9795 3.9795 3.9795 5.4632 5.4632 6.1322 6.1322 6.1340 6.1340 9.8801 9.8801 9.8829 9.8829 11.3104 11.3104 13.7892 13.7892 13.7940 13.7940 14.5849 14.5849 21.7523 21.7523 21.7551 21.7551 22.4231 22.4231 24.0984 24.0984 k = 0.3867-0.0331 0.6124 ( 1174 PWs) bands (ev): -8.0927 -8.0927 -3.4183 -3.4183 -3.4178 -3.4178 -1.0743 -1.0743 2.0518 2.0518 3.8711 3.8711 3.8712 3.8712 5.5061 5.5061 6.1617 6.1617 6.1635 6.1635 9.8276 9.8276 9.8305 9.8305 11.2405 11.2405 13.9246 13.9246 13.9294 13.9294 14.6878 14.6878 21.8217 21.8217 21.8245 21.8245 22.4503 22.4503 24.0209 24.0209 k = 0.3906-0.0442 0.6124 ( 1174 PWs) bands (ev): -8.0747 -8.0747 -3.4070 -3.4070 -3.4065 -3.4065 -1.1891 -1.1891 2.2169 2.2169 3.7641 3.7641 3.7641 3.7641 5.5488 5.5488 6.1920 6.1920 6.1938 6.1938 9.7740 9.7740 9.7768 9.7768 11.1672 11.1672 14.0603 14.0603 14.0650 14.0650 14.7894 14.7894 21.8887 21.8887 21.8916 21.8916 22.4699 22.4699 23.9433 23.9433 k = 0.3945-0.0552 0.6124 ( 1174 PWs) bands (ev): -8.0559 -8.0559 -3.3948 -3.3948 -3.3943 -3.3943 -1.3023 -1.3023 2.3829 2.3829 3.6586 3.6586 3.6586 3.6586 5.5914 5.5914 6.2231 6.2231 6.2249 6.2249 9.7193 9.7193 9.7222 9.7222 11.0904 11.0904 14.1959 14.1959 14.2006 14.2006 14.8898 14.8898 21.9530 21.9530 21.9559 21.9559 22.4804 22.4804 23.8658 23.8658 k = 0.3984-0.0663 0.6124 ( 1174 PWs) bands (ev): -8.0366 -8.0366 -3.3817 -3.3817 -3.3811 -3.3811 -1.4134 -1.4134 2.5495 2.5495 3.5547 3.5547 3.5548 3.5548 5.6338 5.6338 6.2550 6.2550 6.2568 6.2568 9.6638 9.6638 9.6666 9.6666 11.0104 11.0104 14.3310 14.3310 14.3357 14.3357 14.9887 14.9887 22.0141 22.0141 22.0171 22.0171 22.4810 22.4810 23.7884 23.7884 k = 0.4023-0.0773 0.6124 ( 1177 PWs) bands (ev): -8.0167 -8.0167 -3.3677 -3.3677 -3.3672 -3.3672 -1.5225 -1.5225 2.7164 2.7164 3.4527 3.4527 3.4528 3.4528 5.6760 5.6760 6.2874 6.2874 6.2892 6.2892 9.6074 9.6074 9.6103 9.6103 10.9270 10.9270 14.4653 14.4653 14.4700 14.4700 15.0860 15.0860 22.0714 22.0714 22.0745 22.0745 22.4708 22.4708 23.7106 23.7106 k = 0.4062-0.0884 0.6124 ( 1177 PWs) bands (ev): -7.9963 -7.9963 -3.3531 -3.3531 -3.3525 -3.3525 -1.6291 -1.6291 2.8833 2.8833 3.3528 3.3528 3.3529 3.3529 5.7182 5.7182 6.3208 6.3208 6.3226 6.3226 9.5506 9.5506 9.5535 9.5535 10.8404 10.8404 14.5985 14.5985 14.6032 14.6032 15.1817 15.1817 22.1251 22.1251 22.1283 22.1283 22.4495 22.4495 23.6340 23.6340 k = 0.4102-0.0994 0.6124 ( 1177 PWs) bands (ev): -7.9756 -7.9756 -3.3378 -3.3378 -3.3372 -3.3372 -1.7330 -1.7330 3.0498 3.0498 3.2552 3.2552 3.2552 3.2552 5.7603 5.7603 6.3548 6.3548 6.3566 6.3566 9.4933 9.4933 9.4962 9.4962 10.7506 10.7506 14.7302 14.7302 14.7349 14.7349 15.2757 15.2757 22.1747 22.1747 22.1779 22.1779 22.4172 22.4172 23.5579 23.5579 k = 0.4141-0.1105 0.6124 ( 1177 PWs) bands (ev): -7.9544 -7.9544 -3.3219 -3.3219 -3.3213 -3.3213 -1.8343 -1.8343 3.1600 3.1600 3.1600 3.1600 3.2156 3.2156 5.8024 5.8024 6.3894 6.3894 6.3913 6.3913 9.4356 9.4356 9.4386 9.4386 10.6578 10.6578 14.8600 14.8600 14.8647 14.8647 15.3677 15.3677 22.2200 22.2200 22.2233 22.2233 22.3744 22.3744 23.4826 23.4826 k = 0.4180-0.1215 0.6124 ( 1177 PWs) bands (ev): -7.9330 -7.9330 -3.3055 -3.3055 -3.3050 -3.3050 -1.9326 -1.9326 3.0673 3.0673 3.0674 3.0674 3.3803 3.3803 5.8447 5.8447 6.4246 6.4246 6.4265 6.4265 9.3779 9.3779 9.3809 9.3809 10.5620 10.5620 14.9875 14.9875 14.9922 14.9922 15.4577 15.4577 22.2608 22.2608 22.2643 22.2643 22.3221 22.3221 23.4083 23.4083 k = 0.4219-0.1326 0.6124 ( 1189 PWs) bands (ev): -7.9115 -7.9115 -3.2888 -3.2888 -3.2883 -3.2883 -2.0278 -2.0278 2.9774 2.9774 2.9774 2.9774 3.5435 3.5435 5.8872 5.8872 6.4602 6.4602 6.4622 6.4622 9.3200 9.3200 9.3230 9.3230 10.4631 10.4631 15.1124 15.1124 15.1171 15.1171 15.5453 15.5453 22.2612 22.2612 22.2971 22.2971 22.3004 22.3004 23.3346 23.3346 k = 0.4258-0.1436 0.6124 ( 1189 PWs) bands (ev): -7.8898 -7.8898 -3.2718 -3.2718 -3.2713 -3.2713 -2.1197 -2.1197 2.8905 2.8905 2.8905 2.8905 3.7048 3.7048 5.9303 5.9303 6.4964 6.4964 6.4984 6.4984 9.2624 9.2624 9.2654 9.2654 10.3616 10.3616 15.2344 15.2344 15.2391 15.2391 15.6306 15.6306 22.1943 22.1943 22.3290 22.3290 22.3326 22.3326 23.2628 23.2628 k = 0.4297-0.1547 0.6124 ( 1189 PWs) bands (ev): -7.8682 -7.8682 -3.2547 -3.2547 -3.2541 -3.2541 -2.2083 -2.2083 2.8066 2.8066 2.8067 2.8067 3.8637 3.8637 5.9742 5.9742 6.5329 6.5329 6.5349 6.5349 9.2050 9.2050 9.2082 9.2082 10.2575 10.2575 15.3531 15.3531 15.3578 15.3578 15.7135 15.7135 22.1224 22.1224 22.3569 22.3569 22.3605 22.3605 23.1925 23.1925 k = 0.4336-0.1657 0.6124 ( 1189 PWs) bands (ev): -7.8468 -7.8468 -3.2375 -3.2375 -3.2369 -3.2369 -2.2933 -2.2933 2.7261 2.7261 2.7261 2.7261 4.0195 4.0195 6.0192 6.0192 6.5696 6.5696 6.5717 6.5717 9.1482 9.1482 9.1514 9.1514 10.1509 10.1509 15.4681 15.4681 15.4728 15.4728 15.7935 15.7935 22.0470 22.0470 22.3807 22.3807 22.3845 22.3845 23.1241 23.1241 k = 0.4375-0.1768 0.6124 ( 1195 PWs) bands (ev): -7.8256 -7.8256 -3.2204 -3.2204 -3.2198 -3.2198 -2.3748 -2.3748 2.6489 2.6489 2.6489 2.6489 4.1716 4.1716 6.0654 6.0654 6.6064 6.6064 6.6085 6.6085 9.0920 9.0920 9.0952 9.0952 10.0418 10.0418 15.5790 15.5790 15.5837 15.5837 15.8707 15.8707 21.9693 21.9693 22.4007 22.4007 22.4046 22.4046 23.0576 23.0576 k = 0.4414-0.1878 0.6124 ( 1195 PWs) bands (ev): -7.8048 -7.8048 -3.2034 -3.2034 -3.2028 -3.2028 -2.4522 -2.4522 2.5754 2.5754 2.5754 2.5754 4.3192 4.3192 6.1136 6.1136 6.6432 6.6432 6.6454 6.6454 9.0367 9.0367 9.0400 9.0400 9.9307 9.9307 15.6855 15.6855 15.6903 15.6903 15.9447 15.9447 21.8914 21.8914 22.4173 22.4173 22.4213 22.4213 22.9934 22.9934 k = 0.4453-0.1989 0.6124 ( 1189 PWs) bands (ev): -7.7844 -7.7844 -3.1868 -3.1868 -3.1862 -3.1862 -2.5256 -2.5256 2.5056 2.5056 2.5056 2.5056 4.4615 4.4615 6.1644 6.1644 6.6799 6.6799 6.6821 6.6821 8.9828 8.9828 8.9862 8.9862 9.8178 9.8178 15.7873 15.7873 15.7921 15.7921 16.0159 16.0159 21.8142 21.8142 22.4306 22.4306 22.4347 22.4347 22.9317 22.9317 k = 0.4492-0.2099 0.6124 ( 1189 PWs) bands (ev): -7.7647 -7.7647 -3.1706 -3.1706 -3.1699 -3.1699 -2.5949 -2.5949 2.4398 2.4398 2.4398 2.4398 4.5974 4.5974 6.2179 6.2179 6.7161 6.7161 6.7184 6.7184 8.9300 8.9300 8.9335 8.9335 9.7034 9.7034 15.8840 15.8840 15.8888 15.8888 16.0831 16.0831 21.7387 21.7387 22.4412 22.4412 22.4454 22.4454 22.8727 22.8727 k = 0.4531-0.2210 0.6124 ( 1189 PWs) bands (ev): -7.7457 -7.7457 -3.1549 -3.1549 -3.1543 -3.1543 -2.6598 -2.6598 2.3781 2.3781 2.3781 2.3781 4.7258 4.7258 6.2750 6.2750 6.7517 6.7517 6.7541 6.7541 8.8789 8.8789 8.8824 8.8824 9.5878 9.5878 15.9752 15.9752 15.9800 15.9800 16.1465 16.1465 21.6658 21.6658 22.4494 22.4494 22.4536 22.4536 22.8167 22.8167 k = 0.4570-0.2320 0.6124 ( 1189 PWs) bands (ev): -7.7276 -7.7276 -3.1399 -3.1399 -3.1393 -3.1393 -2.7203 -2.7203 2.3206 2.3206 2.3206 2.3206 4.8458 4.8458 6.3361 6.3361 6.7864 6.7864 6.7890 6.7890 8.8296 8.8296 8.8332 8.8332 9.4715 9.4715 16.0605 16.0605 16.0653 16.0653 16.2059 16.2059 21.5964 21.5964 22.4554 22.4554 22.4597 22.4597 22.7640 22.7640 k = 0.4609-0.2431 0.6124 ( 1189 PWs) bands (ev): -7.7106 -7.7106 -3.1257 -3.1257 -3.1251 -3.1251 -2.7761 -2.7761 2.2675 2.2675 2.2675 2.2675 4.9562 4.9562 6.4016 6.4016 6.8201 6.8201 6.8227 6.8227 8.7825 8.7825 8.7863 8.7863 9.3550 9.3550 16.1397 16.1397 16.1446 16.1446 16.2611 16.2611 21.5310 21.5310 22.4596 22.4596 22.4640 22.4640 22.7148 22.7148 k = 0.4648-0.2541 0.6124 ( 1183 PWs) bands (ev): -7.6946 -7.6946 -3.1125 -3.1125 -3.1118 -3.1118 -2.8271 -2.8271 2.2190 2.2190 2.2190 2.2190 5.0562 5.0562 6.4718 6.4718 6.8524 6.8524 6.8551 6.8551 8.7381 8.7381 8.7419 8.7419 9.2392 9.2392 16.2127 16.2127 16.2176 16.2176 16.3119 16.3119 21.4703 21.4703 22.4624 22.4624 22.4669 22.4669 22.6694 22.6694 k = 0.4688-0.2652 0.6124 ( 1189 PWs) bands (ev): -7.6801 -7.6801 -3.1004 -3.1004 -3.0997 -3.0997 -2.8733 -2.8733 2.1750 2.1750 2.1750 2.1750 5.1450 5.1450 6.5459 6.5459 6.8828 6.8828 6.8856 6.8856 8.6966 8.6966 8.7005 8.7005 9.1249 9.1249 16.2787 16.2787 16.2836 16.2836 16.3581 16.3581 21.4147 21.4147 22.4640 22.4640 22.4685 22.4685 22.6278 22.6278 k = 0.4727-0.2762 0.6124 ( 1177 PWs) bands (ev): -7.6668 -7.6668 -3.0893 -3.0893 -3.0886 -3.0886 -2.9143 -2.9143 2.1360 2.1360 2.1360 2.1360 5.2226 5.2226 6.6235 6.6235 6.9112 6.9112 6.9141 6.9141 8.6586 8.6586 8.6626 8.6626 9.0135 9.0135 16.3379 16.3379 16.3429 16.3429 16.3994 16.3994 21.3649 21.3649 22.4648 22.4648 22.4694 22.4694 22.5906 22.5906 k = 0.4766-0.2873 0.6124 ( 1171 PWs) bands (ev): -7.6551 -7.6551 -3.0794 -3.0794 -3.0788 -3.0788 -2.9502 -2.9502 2.1019 2.1019 2.1019 2.1019 5.2883 5.2883 6.7024 6.7024 6.9370 6.9370 6.9401 6.9401 8.6242 8.6242 8.6284 8.6284 8.9066 8.9066 16.3896 16.3896 16.3947 16.3947 16.4359 16.4359 21.3210 21.3210 22.4649 22.4649 22.4695 22.4695 22.5580 22.5580 k = 0.4805-0.2983 0.6124 ( 1165 PWs) bands (ev): -7.6449 -7.6449 -3.0710 -3.0710 -3.0703 -3.0703 -2.9807 -2.9807 2.0729 2.0729 2.0729 2.0729 5.3429 5.3429 6.7804 6.7804 6.9599 6.9599 6.9630 6.9630 8.5941 8.5941 8.5984 8.5984 8.8062 8.8062 16.4337 16.4337 16.4389 16.4389 16.4669 16.4669 21.2833 21.2833 22.4645 22.4645 22.4692 22.4692 22.5300 22.5300 k = 0.4844-0.3094 0.6124 ( 1168 PWs) bands (ev): -7.6365 -7.6365 -3.0640 -3.0640 -3.0633 -3.0633 -3.0059 -3.0059 2.0490 2.0490 2.0490 2.0490 5.3864 5.3864 6.8541 6.8541 6.9793 6.9793 6.9825 6.9825 8.5687 8.5687 8.5731 8.5731 8.7151 8.7151 16.4699 16.4699 16.4753 16.4753 16.4927 16.4927 21.2522 21.2522 22.4637 22.4637 22.4686 22.4686 22.5068 22.5068 k = 0.4883-0.3204 0.6124 ( 1168 PWs) bands (ev): -7.6299 -7.6299 -3.0584 -3.0584 -3.0577 -3.0577 -3.0255 -3.0255 2.0303 2.0303 2.0303 2.0303 5.4195 5.4195 6.9194 6.9194 6.9948 6.9948 6.9981 6.9981 8.5484 8.5484 8.5529 8.5529 8.6370 8.6370 16.4981 16.4981 16.5037 16.5037 16.5131 16.5131 21.2278 21.2278 22.4629 22.4629 22.4680 22.4680 22.4888 22.4888 k = 0.4922-0.3315 0.6124 ( 1168 PWs) bands (ev): -7.6251 -7.6251 -3.0544 -3.0544 -3.0537 -3.0537 -3.0396 -3.0396 2.0169 2.0169 2.0169 2.0169 5.4428 5.4428 6.9713 6.9713 7.0062 7.0062 7.0097 7.0097 8.5335 8.5335 8.5381 8.5381 8.5764 8.5764 16.5180 16.5180 16.5242 16.5242 16.5280 16.5280 21.2103 21.2103 22.4620 22.4620 22.4674 22.4674 22.4760 22.4760 k = 0.4961-0.3425 0.6124 ( 1168 PWs) bands (ev): -7.6222 -7.6222 -3.0520 -3.0520 -3.0513 -3.0513 -3.0480 -3.0480 2.0089 2.0089 2.0089 2.0089 5.4565 5.4565 7.0048 7.0048 7.0132 7.0132 7.0170 7.0170 8.5240 8.5240 8.5292 8.5292 8.5381 8.5381 16.5296 16.5296 16.5365 16.5365 16.5374 16.5374 21.1997 21.1997 22.4607 22.4607 22.4671 22.4671 22.4690 22.4690 k = 0.5000-0.3536 0.6124 ( 1168 PWs) bands (ev): -7.6213 -7.6213 -3.0515 -3.0515 -3.0506 -3.0506 -3.0505 -3.0505 2.0062 2.0062 2.0062 2.0062 5.4611 5.4611 7.0154 7.0154 7.0155 7.0155 7.0205 7.0205 8.5195 8.5195 8.5262 8.5262 8.5262 8.5262 16.5334 16.5334 16.5406 16.5406 16.5406 16.5406 21.1962 21.1962 22.4600 22.4600 22.4669 22.4669 22.4670 22.4670 k = 0.2500 0.3536 0.6124 ( 1160 PWs) bands (ev): -8.2560 -8.2560 -2.9093 -2.9093 -2.9090 -2.9090 -2.9090 -2.9090 2.8671 2.8671 5.1551 5.1551 5.1552 5.1552 5.1588 5.1588 6.5099 6.5099 6.5099 6.5099 10.8700 10.8700 10.8753 10.8753 10.8754 10.8754 11.6774 11.6774 11.6859 11.6859 11.6859 11.6859 20.4813 20.4813 20.4857 20.4857 20.4858 20.4858 26.4706 26.4706 k = 0.2432 0.3440 0.6124 ( 1160 PWs) bands (ev): -8.2564 -8.2564 -2.9825 -2.9825 -2.9072 -2.9072 -2.8339 -2.8339 2.8630 2.8630 5.0667 5.0667 5.1586 5.1586 5.2440 5.2440 6.5082 6.5082 6.5095 6.5095 10.7828 10.7828 10.8746 10.8746 10.9635 10.9635 11.6542 11.6542 11.6858 11.6858 11.7137 11.7137 20.4311 20.4311 20.4855 20.4855 20.5407 20.5407 26.4116 26.4116 k = 0.2365 0.3344 0.6124 ( 1160 PWs) bands (ev): -8.2575 -8.2575 -3.0541 -3.0541 -2.9013 -2.9013 -2.7567 -2.7567 2.8508 2.8508 4.9750 4.9750 5.1655 5.1655 5.3294 5.3294 6.5029 6.5029 6.5082 6.5082 10.6920 10.6920 10.8779 10.8779 11.0518 11.0518 11.6282 11.6282 11.6938 11.6938 11.7451 11.7451 20.3814 20.3814 20.4891 20.4891 20.6002 20.6002 26.3434 26.3434 k = 0.2297 0.3249 0.6124 ( 1160 PWs) bands (ev): -8.2593 -8.2593 -3.1238 -3.1238 -2.8916 -2.8916 -2.6778 -2.6778 2.8307 2.8307 4.8814 4.8814 5.1766 5.1766 5.4128 5.4128 6.4943 6.4943 6.5061 6.5061 10.6013 10.6013 10.8833 10.8833 11.1374 11.1374 11.6053 11.6053 11.7071 11.7071 11.7778 11.7778 20.3354 20.3354 20.4952 20.4952 20.6625 20.6625 26.2704 26.2704 k = 0.2230 0.3153 0.6124 ( 1160 PWs) bands (ev): -8.2618 -8.2618 -3.1917 -3.1917 -2.8780 -2.8780 -2.5970 -2.5970 2.8030 2.8030 4.7858 4.7858 5.1918 5.1918 5.4941 5.4941 6.4826 6.4826 6.5031 6.5031 10.5111 10.5111 10.8908 10.8908 11.2184 11.2184 11.5873 11.5873 11.7255 11.7255 11.8115 11.8115 20.2933 20.2933 20.5039 20.5039 20.7275 20.7275 26.1933 26.1933 k = 0.2162 0.3058 0.6124 ( 1170 PWs) bands (ev): -8.2651 -8.2651 -3.2577 -3.2577 -2.8606 -2.8606 -2.5145 -2.5145 2.7678 2.7678 4.6882 4.6882 5.2104 5.2104 5.5731 5.5731 6.4677 6.4677 6.4993 6.4993 10.4218 10.4218 10.9003 10.9003 11.2905 11.2905 11.5780 11.5780 11.7484 11.7484 11.8460 11.8460 20.2552 20.2552 20.5152 20.5152 20.7948 20.7948 26.1122 26.1122 k = 0.2095 0.2962 0.6124 ( 1170 PWs) bands (ev): -8.2689 -8.2689 -3.3217 -3.3217 -2.8394 -2.8394 -2.4302 -2.4302 2.7260 2.7260 4.5887 4.5887 5.2321 5.2321 5.6500 5.6500 6.4507 6.4507 6.4948 6.4948 10.3335 10.3335 10.9119 10.9119 11.3466 11.3466 11.5849 11.5849 11.7758 11.7758 11.8812 11.8812 20.2215 20.2215 20.5294 20.5294 20.8645 20.8645 26.0282 26.0282 k = 0.2027 0.2867 0.6124 ( 1172 PWs) bands (ev): -8.2733 -8.2733 -3.3838 -3.3838 -2.8145 -2.8145 -2.3441 -2.3441 2.6777 2.6777 4.4873 4.4873 5.2564 5.2564 5.7248 5.7248 6.4316 6.4316 6.4896 6.4896 10.2465 10.2465 10.9252 10.9252 11.3779 11.3779 11.6160 11.6160 11.8072 11.8072 11.9169 11.9169 20.1922 20.1922 20.5468 20.5468 20.9362 20.9362 25.9413 25.9413 k = 0.1959 0.2771 0.6124 ( 1168 PWs) bands (ev): -8.2784 -8.2784 -3.4439 -3.4439 -2.7859 -2.7859 -2.2563 -2.2563 2.6235 2.6235 4.3842 4.3842 5.2824 5.2824 5.7973 5.7973 6.4110 6.4110 6.4837 6.4837 10.1612 10.1612 10.9405 10.9405 11.3862 11.3862 11.6695 11.6695 11.8421 11.8421 11.9531 11.9531 20.1676 20.1676 20.5675 20.5675 21.0097 21.0097 25.8520 25.8520 k = 0.1892 0.2676 0.6124 ( 1172 PWs) bands (ev): -8.2840 -8.2840 -3.5022 -3.5022 -2.7538 -2.7538 -2.1669 -2.1669 2.5638 2.5638 4.2793 4.2793 5.3096 5.3096 5.8675 5.8675 6.3895 6.3895 6.4771 6.4771 10.0775 10.0775 10.9574 10.9574 11.3816 11.3816 11.7350 11.7350 11.8798 11.8798 11.9895 11.9895 20.1477 20.1477 20.5916 20.5916 21.0848 21.0848 25.7606 25.7606 k = 0.1824 0.2580 0.6124 ( 1172 PWs) bands (ev): -8.2901 -8.2901 -3.5585 -3.5585 -2.7182 -2.7182 -2.0757 -2.0757 2.4992 2.4992 4.1727 4.1727 5.3373 5.3373 5.9356 5.9356 6.3677 6.3677 6.4700 6.4700 9.9959 9.9959 10.9759 10.9759 11.3713 11.3713 11.8050 11.8050 11.9201 11.9201 12.0261 12.0261 20.1329 20.1329 20.6195 20.6195 21.1614 21.1614 25.6676 25.6676 k = 0.1757 0.2484 0.6124 ( 1172 PWs) bands (ev): -8.2966 -8.2966 -3.6128 -3.6128 -2.6792 -2.6792 -1.9829 -1.9829 2.4301 2.4301 4.0644 4.0644 5.3647 5.3647 6.0013 6.0013 6.3463 6.3463 6.4624 6.4624 9.9163 9.9163 10.9958 10.9958 11.3588 11.3588 11.8759 11.8759 11.9624 11.9624 12.0627 12.0627 20.1232 20.1232 20.6513 20.6513 21.2392 21.2392 25.5732 25.5732 k = 0.1689 0.2389 0.6124 ( 1172 PWs) bands (ev): -8.3035 -8.3035 -3.6651 -3.6651 -2.6369 -2.6369 -1.8885 -1.8885 2.3569 2.3569 3.9545 3.9545 5.3911 5.3911 6.0647 6.0647 6.3259 6.3259 6.4543 6.4543 9.8390 9.8390 11.0171 11.0171 11.3459 11.3459 11.9456 11.9456 12.0061 12.0061 12.0993 12.0993 20.1186 20.1186 20.6874 20.6874 21.3182 21.3182 25.4777 25.4777 k = 0.1622 0.2293 0.6124 ( 1176 PWs) bands (ev): -8.3106 -8.3106 -3.7154 -3.7154 -2.5914 -2.5914 -1.7923 -1.7923 2.2800 2.2800 3.8431 3.8431 5.4156 5.4156 6.1258 6.1258 6.3073 6.3073 6.4458 6.4458 9.7641 9.7641 11.0394 11.0394 11.3333 11.3333 12.0130 12.0130 12.0506 12.0506 12.1356 12.1356 20.1193 20.1193 20.7279 20.7279 21.3981 21.3981 25.3813 25.3813 k = 0.1554 0.2198 0.6124 ( 1176 PWs) bands (ev): -8.3181 -8.3181 -3.7638 -3.7638 -2.5429 -2.5429 -1.6947 -1.6947 2.1999 2.1999 3.7302 3.7302 5.4378 5.4378 6.1846 6.1846 6.2913 6.2913 6.4371 6.4371 9.6917 9.6917 11.0628 11.0628 11.3215 11.3215 12.0778 12.0778 12.0956 12.0956 12.1718 12.1718 20.1254 20.1254 20.7731 20.7731 21.4785 21.4785 25.2844 25.2844 k = 0.1486 0.2102 0.6124 ( 1180 PWs) bands (ev): -8.3258 -8.3258 -3.8101 -3.8101 -2.4915 -2.4915 -1.5955 -1.5955 2.1168 2.1168 3.6157 3.6157 5.4568 5.4568 6.2409 6.2409 6.2785 6.2785 6.4282 6.4282 9.6218 9.6218 11.0870 11.0870 11.3106 11.3106 12.1393 12.1393 12.1405 12.1405 12.2074 12.2074 20.1367 20.1367 20.8232 20.8232 21.5594 21.5594 25.1871 25.1871 k = 0.1419 0.2007 0.6124 ( 1176 PWs) bands (ev): -8.3337 -8.3337 -3.8544 -3.8544 -2.4374 -2.4374 -1.4948 -1.4948 2.0312 2.0312 3.5001 3.5001 5.4722 5.4722 6.2694 6.2694 6.2951 6.2951 6.4190 6.4190 9.5547 9.5547 11.1119 11.1119 11.3009 11.3009 12.1850 12.1850 12.1977 12.1977 12.2426 12.2426 20.1533 20.1533 20.8783 20.8783 21.6406 21.6406 25.0897 25.0897 k = 0.1351 0.1911 0.6124 ( 1174 PWs) bands (ev): -8.3416 -8.3416 -3.8967 -3.8967 -2.3807 -2.3807 -1.3926 -1.3926 1.9436 1.9436 3.3832 3.3832 5.4835 5.4835 6.2645 6.2645 6.3467 6.3467 6.4098 6.4098 9.4904 9.4904 11.1373 11.1373 11.2924 11.2924 12.2286 12.2286 12.2522 12.2522 12.2772 12.2772 20.1749 20.1749 20.9385 20.9385 21.7219 21.7219 24.9925 24.9925 k = 0.1284 0.1816 0.6124 ( 1170 PWs) bands (ev): -8.3496 -8.3496 -3.9370 -3.9370 -2.3216 -2.3216 -1.2890 -1.2890 1.8540 1.8540 3.2651 3.2651 5.4906 5.4906 6.2640 6.2640 6.3958 6.3958 6.4006 6.4006 9.4290 9.4290 11.1629 11.1629 11.2853 11.2853 12.2711 12.2711 12.3029 12.3029 12.3112 12.3112 20.2015 20.2015 21.0039 21.0039 21.8028 21.8028 24.8955 24.8955 k = 0.1216 0.1720 0.6124 ( 1170 PWs) bands (ev): -8.3575 -8.3575 -3.9752 -3.9752 -2.2603 -2.2603 -1.1839 -1.1839 1.7631 1.7631 3.1460 3.1460 5.4933 5.4933 6.2678 6.2678 6.3914 6.3914 6.4425 6.4425 9.3705 9.3705 11.1887 11.1887 11.2792 11.2792 12.3118 12.3118 12.3436 12.3436 12.3502 12.3502 20.2328 20.2328 21.0745 21.0745 21.8834 21.8834 24.7991 24.7991 k = 0.1149 0.1624 0.6124 ( 1172 PWs) bands (ev): -8.3653 -8.3653 -4.0115 -4.0115 -2.1970 -2.1970 -1.0774 -1.0774 1.6710 1.6710 3.0258 3.0258 5.4921 5.4921 6.2756 6.2756 6.3823 6.3823 6.4868 6.4868 9.3149 9.3149 11.2145 11.2145 11.2743 11.2743 12.3507 12.3507 12.3756 12.3756 12.3932 12.3932 20.2686 20.2686 21.1502 21.1502 21.9632 21.9632 24.7034 24.7034 k = 0.1081 0.1529 0.6124 ( 1172 PWs) bands (ev): -8.3731 -8.3731 -4.0456 -4.0456 -2.1319 -2.1319 -0.9695 -0.9695 1.5782 1.5782 2.9047 2.9047 5.4874 5.4874 6.2869 6.2869 6.3733 6.3733 6.5285 6.5285 9.2624 9.2624 11.2400 11.2400 11.2706 11.2706 12.3876 12.3876 12.4065 12.4065 12.4324 12.4324 20.3086 20.3086 21.2309 21.2309 22.0421 22.0421 24.6088 24.6088 k = 0.1014 0.1433 0.6124 ( 1174 PWs) bands (ev): -8.3806 -8.3806 -4.0778 -4.0778 -2.0654 -2.0654 -0.8604 -0.8604 1.4849 1.4849 2.7828 2.7828 5.4798 5.4798 6.3011 6.3011 6.3646 6.3646 6.5677 6.5677 9.2130 9.2130 11.2650 11.2650 11.2679 11.2679 12.4221 12.4221 12.4363 12.4363 12.4679 12.4679 20.3522 20.3522 21.3161 21.3161 22.1197 22.1197 24.5151 24.5151 k = 0.0946 0.1338 0.6124 ( 1174 PWs) bands (ev): -8.3879 -8.3879 -4.1079 -4.1079 -1.9976 -1.9976 -0.7499 -0.7499 1.3918 1.3918 2.6601 2.6601 5.4700 5.4700 6.3176 6.3176 6.3562 6.3562 6.6044 6.6044 9.1666 9.1666 11.2661 11.2661 11.2895 11.2895 12.4543 12.4543 12.4648 12.4648 12.4998 12.4998 20.3991 20.3991 21.4060 21.4060 22.1956 22.1956 24.4234 24.4234 k = 0.0878 0.1242 0.6124 ( 1178 PWs) bands (ev): -8.3949 -8.3949 -4.1359 -4.1359 -1.9291 -1.9291 -0.6382 -0.6382 1.2992 1.2992 2.5368 2.5368 5.4585 5.4585 6.3355 6.3355 6.3481 6.3481 6.6386 6.6386 9.1234 9.1234 11.2653 11.2653 11.3131 11.3131 12.4838 12.4838 12.4920 12.4920 12.5281 12.5281 20.4486 20.4486 21.4998 21.4998 22.2696 22.2696 24.3336 24.3336 k = 0.0811 0.1147 0.6124 ( 1178 PWs) bands (ev): -8.4015 -8.4015 -4.1619 -4.1619 -1.8601 -1.8601 -0.5253 -0.5253 1.2076 1.2076 2.4129 2.4129 5.4461 5.4461 6.3404 6.3404 6.3544 6.3544 6.6703 6.6703 9.0833 9.0833 11.2652 11.2652 11.3359 11.3359 12.5108 12.5108 12.5179 12.5179 12.5532 12.5532 20.5002 20.5002 21.5970 21.5970 22.3413 22.3413 24.2462 24.2462 k = 0.0743 0.1051 0.6124 ( 1170 PWs) bands (ev): -8.4078 -8.4078 -4.1858 -4.1858 -1.7911 -1.7911 -0.4113 -0.4113 1.1177 1.1177 2.2886 2.2886 5.4331 5.4331 6.3331 6.3331 6.3737 6.3737 6.6994 6.6994 9.0465 9.0465 11.2659 11.2659 11.3575 11.3575 12.5354 12.5354 12.5422 12.5422 12.5753 12.5753 20.5532 20.5532 21.6974 21.6974 22.4103 22.4103 24.1616 24.1616 k = 0.0676 0.0956 0.6124 ( 1170 PWs) bands (ev): -8.4137 -8.4137 -4.2076 -4.2076 -1.7227 -1.7227 -0.2961 -0.2961 1.0298 1.0298 2.1640 2.1640 5.4201 5.4201 6.3263 6.3263 6.3927 6.3927 6.7261 6.7261 9.0128 9.0128 11.2670 11.2670 11.3778 11.3778 12.5577 12.5577 12.5646 12.5646 12.5944 12.5944 20.6067 20.6067 21.7989 21.7989 22.4761 22.4761 24.0804 24.0804 k = 0.0608 0.0860 0.6124 ( 1170 PWs) bands (ev): -8.4191 -8.4191 -4.2274 -4.2274 -1.6556 -1.6556 -0.1800 -0.1800 0.9449 0.9449 2.0390 2.0390 5.4074 5.4074 6.3201 6.3201 6.4111 6.4111 6.7501 6.7501 8.9823 8.9823 11.2685 11.2685 11.3967 11.3967 12.5779 12.5779 12.5848 12.5848 12.6107 12.6107 20.6598 20.6598 21.9009 21.9009 22.5381 22.5381 24.0032 24.0032 k = 0.0541 0.0764 0.6124 ( 1170 PWs) bands (ev): -8.4241 -8.4241 -4.2451 -4.2451 -1.5905 -1.5905 -0.0627 -0.0627 0.8637 0.8637 1.9139 1.9139 5.3953 5.3953 6.3143 6.3143 6.4285 6.4285 6.7717 6.7717 8.9549 8.9549 11.2703 11.2703 11.4141 11.4141 12.5960 12.5960 12.6029 12.6029 12.6247 12.6247 20.7117 20.7117 22.0020 22.0020 22.5959 22.5959 23.9305 23.9305 k = 0.0473 0.0669 0.6124 ( 1170 PWs) bands (ev): -8.4285 -8.4285 -4.2607 -4.2607 -1.5284 -1.5284 0.0553 0.0553 0.7873 0.7873 1.7888 1.7888 5.3841 5.3841 6.3092 6.3092 6.4445 6.4445 6.7907 6.7907 8.9308 8.9308 11.2723 11.2723 11.4297 11.4297 12.6119 12.6119 12.6188 12.6188 12.6363 12.6363 20.7613 20.7613 22.1006 22.1006 22.6489 22.6489 23.8633 23.8633 k = 0.0405 0.0573 0.6124 ( 1174 PWs) bands (ev): -8.4324 -8.4324 -4.2742 -4.2742 -1.4703 -1.4703 0.1741 0.1741 0.7166 0.7166 1.6637 1.6637 5.3740 5.3740 6.3047 6.3047 6.4589 6.4589 6.8071 6.8071 8.9098 8.9098 11.2742 11.2742 11.4434 11.4434 12.6255 12.6255 12.6325 12.6325 12.6458 12.6458 20.8075 20.8075 22.1945 22.1945 22.6964 22.6964 23.8019 23.8019 k = 0.0338 0.0478 0.6124 ( 1178 PWs) bands (ev): -8.4358 -8.4358 -4.2857 -4.2857 -1.4175 -1.4175 0.2936 0.2936 0.6531 0.6531 1.5389 1.5389 5.3652 5.3652 6.3008 6.3008 6.4714 6.4714 6.8209 6.8209 8.8919 8.8919 11.2761 11.2761 11.4553 11.4553 12.6369 12.6369 12.6442 12.6442 12.6535 12.6535 20.8491 20.8491 22.2814 22.2814 22.7380 22.7380 23.7482 23.7482 k = 0.0270 0.0382 0.6124 ( 1178 PWs) bands (ev): -8.4385 -8.4385 -4.2951 -4.2951 -1.3713 -1.3713 0.4136 0.4136 0.5982 0.5982 1.4145 1.4145 5.3579 5.3579 6.2976 6.2976 6.4819 6.4819 6.8322 6.8322 8.8774 8.8774 11.2778 11.2778 11.4651 11.4651 12.6462 12.6462 12.6539 12.6539 12.6595 12.6595 20.8851 20.8851 22.3585 22.3585 22.7730 22.7730 23.7026 23.7026 k = 0.0203 0.0287 0.6124 ( 1178 PWs) bands (ev): -8.4407 -8.4407 -4.3023 -4.3023 -1.3333 -1.3333 0.5336 0.5336 0.5533 0.5533 1.2911 1.2911 5.3520 5.3520 6.2952 6.2952 6.4902 6.4902 6.8411 6.8411 8.8662 8.8662 11.2793 11.2793 11.4727 11.4727 12.6533 12.6533 12.6615 12.6615 12.6641 12.6641 20.9145 20.9145 22.4228 22.4228 22.8009 22.8009 23.6662 23.6662 k = 0.0135 0.0191 0.6124 ( 1180 PWs) bands (ev): -8.4422 -8.4422 -4.3075 -4.3075 -1.3050 -1.3050 0.5199 0.5199 0.6526 0.6526 1.1694 1.1694 5.3477 5.3477 6.2934 6.2934 6.4963 6.4963 6.8474 6.8474 8.8581 8.8581 11.2804 11.2804 11.4782 11.4782 12.6585 12.6585 12.6669 12.6669 12.6673 12.6673 20.9362 20.9362 22.4716 22.4716 22.8212 22.8212 23.6393 23.6393 k = 0.0068 0.0096 0.6124 ( 1180 PWs) bands (ev): -8.4432 -8.4432 -4.3107 -4.3107 -1.2873 -1.2873 0.4993 0.4993 0.7663 0.7663 1.0543 1.0543 5.3452 5.3452 6.2923 6.2923 6.4999 6.4999 6.8512 6.8512 8.8533 8.8533 11.2810 11.2810 11.4816 11.4816 12.6616 12.6616 12.6690 12.6690 12.6703 12.6703 20.9495 20.9495 22.5020 22.5020 22.8335 22.8335 23.6230 23.6230 k = 0.0000 0.0000 0.6124 ( 1180 PWs) bands (ev): -8.4435 -8.4435 -4.3117 -4.3117 -1.2814 -1.2814 0.4923 0.4923 0.8366 0.8366 0.9835 0.9835 5.3443 5.3443 6.2920 6.2920 6.5011 6.5011 6.8524 6.8524 8.8517 8.8517 11.2813 11.2813 11.4827 11.4827 12.6626 12.6626 12.6697 12.6697 12.6714 12.6714 20.9540 20.9540 22.5123 22.5123 22.8376 22.8376 23.6175 23.6175 Writing output data file C.save init_run : 0.11s CPU 0.33s WALL ( 1 calls) electrons : 60.03s CPU 62.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 60.02s CPU 62.16s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 349 calls) cegterg : 54.60s CPU 55.63s WALL ( 482 calls) Called by sum_band: Called by *egterg: h_psi : 24.69s CPU 25.24s WALL ( 7863 calls) s_psi : 1.18s CPU 1.24s WALL ( 7863 calls) g_psi : 0.05s CPU 0.05s WALL ( 7032 calls) cdiaghg : 29.24s CPU 29.37s WALL ( 7381 calls) cegterg:over : 1.42s CPU 1.67s WALL ( 7032 calls) cegterg:upda : 1.11s CPU 1.08s WALL ( 7032 calls) cegterg:last : 0.60s CPU 0.68s WALL ( 1180 calls) cdiaghg:chol : 1.29s CPU 1.45s WALL ( 7381 calls) cdiaghg:inve : 0.74s CPU 0.67s WALL ( 7381 calls) cdiaghg:para : 1.89s CPU 1.79s WALL ( 14762 calls) Called by h_psi: h_psi:vloc : 21.18s CPU 21.89s WALL ( 7863 calls) h_psi:vnl : 3.49s CPU 3.32s WALL ( 7863 calls) add_vuspsi : 1.37s CPU 1.31s WALL ( 7863 calls) General routines calbec : 2.10s CPU 1.98s WALL ( 7863 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 19.53s CPU 20.17s WALL ( 576736 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.04s CPU 0.08s WALL ( 698 calls) Parallel routines fft_scatter : 10.24s CPU 10.73s WALL ( 576759 calls) PWSCF : 1m 8.23s CPU 1m36.81s WALL This run was terminated on: 17:14:28 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=