Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:13: 4 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: ./BaSeO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 67 39 11 3187 1401 217 Max 68 40 12 3192 1425 220 Sum 2431 1413 409 114815 50743 7839 bravais-lattice index = 14 lattice parameter (alat) = 10.6675 a.u. unit-cell volume = 1166.2871 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.667503 celldm(2)= 0.828521 celldm(3)= 1.213640 celldm(4)= 0.295041 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.828521 0.000000 ) a(3) = ( 0.000000 0.358074 1.159615 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.206970 -0.372697 ) b(3) = ( 0.000000 0.000000 0.862355 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Se 6.00 78.96000 Se( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 257 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 2) = ( 0.0000000 0.0000000 0.0179657), wk = 0.0038911 k( 3) = ( 0.0000000 0.0000000 0.0359315), wk = 0.0038911 k( 4) = ( 0.0000000 0.0000000 0.0538972), wk = 0.0038911 k( 5) = ( 0.0000000 0.0000000 0.0718629), wk = 0.0038911 k( 6) = ( 0.0000000 0.0000000 0.0898287), wk = 0.0038911 k( 7) = ( 0.0000000 0.0000000 0.1077944), wk = 0.0038911 k( 8) = ( 0.0000000 0.0000000 0.1257602), wk = 0.0038911 k( 9) = ( 0.0000000 0.0000000 0.1437259), wk = 0.0038911 k( 10) = ( 0.0000000 0.0000000 0.1616916), wk = 0.0038911 k( 11) = ( 0.0000000 0.0000000 0.1796574), wk = 0.0038911 k( 12) = ( 0.0000000 0.0000000 0.1976231), wk = 0.0038911 k( 13) = ( 0.0000000 0.0000000 0.2155889), wk = 0.0038911 k( 14) = ( 0.0000000 0.0000000 0.2335546), wk = 0.0038911 k( 15) = ( 0.0000000 0.0000000 0.2515203), wk = 0.0038911 k( 16) = ( 0.0000000 0.0000000 0.2694861), wk = 0.0038911 k( 17) = ( 0.0000000 0.0000000 0.2874518), wk = 0.0038911 k( 18) = ( 0.0000000 0.0000000 0.3054175), wk = 0.0038911 k( 19) = ( 0.0000000 0.0000000 0.3233833), wk = 0.0038911 k( 20) = ( 0.0000000 0.0000000 0.3413490), wk = 0.0038911 k( 21) = ( 0.0000000 0.0000000 0.3593148), wk = 0.0038911 k( 22) = ( 0.0000000 0.0000000 0.3772805), wk = 0.0038911 k( 23) = ( 0.0000000 0.0000000 0.3952462), wk = 0.0038911 k( 24) = ( 0.0000000 0.0000000 0.4132120), wk = 0.0038911 k( 25) = ( 0.0000000 0.0000000 0.4311777), wk = 0.0038911 k( 26) = ( 0.0000000 0.0000000 0.4311777), wk = 0.0038911 k( 27) = ( 0.0000000 0.0175962 0.4311777), wk = 0.0038911 k( 28) = ( 0.0000000 0.0351923 0.4311777), wk = 0.0038911 k( 29) = ( 0.0000000 0.0527885 0.4311777), wk = 0.0038911 k( 30) = ( 0.0000000 0.0703847 0.4311777), wk = 0.0038911 k( 31) = ( 0.0000000 0.0879808 0.4311777), wk = 0.0038911 k( 32) = ( 0.0000000 0.1055770 0.4311777), wk = 0.0038911 k( 33) = ( 0.0000000 0.1231732 0.4311777), wk = 0.0038911 k( 34) = ( 0.0000000 0.1407693 0.4311777), wk = 0.0038911 k( 35) = ( 0.0000000 0.1583655 0.4311777), wk = 0.0038911 k( 36) = ( 0.0000000 0.1759617 0.4311777), wk = 0.0038911 k( 37) = ( 0.0000000 0.1935578 0.4311777), wk = 0.0038911 k( 38) = ( 0.0000000 0.2111540 0.4311777), wk = 0.0038911 k( 39) = ( 0.0000000 0.2287502 0.4311777), wk = 0.0038911 k( 40) = ( 0.0000000 0.2463464 0.4311777), wk = 0.0038911 k( 41) = ( 0.0000000 0.2639425 0.4311777), wk = 0.0038911 k( 42) = ( 0.0000000 0.2815387 0.4311777), wk = 0.0038911 k( 43) = ( 0.0000000 0.2991349 0.4311777), wk = 0.0038911 k( 44) = ( 0.0000000 0.3167310 0.4311777), wk = 0.0038911 k( 45) = ( 0.0000000 0.3343272 0.4311777), wk = 0.0038911 k( 46) = ( 0.0000000 0.3519233 0.4311777), wk = 0.0038911 k( 47) = ( 0.0000000 0.3695195 0.4311777), wk = 0.0038911 k( 48) = ( 0.0000000 0.3871157 0.4311777), wk = 0.0038911 k( 49) = ( 0.0000000 0.4047119 0.4311777), wk = 0.0038911 k( 50) = ( 0.0000000 0.4223080 0.4311777), wk = 0.0038911 k( 51) = ( 0.0000000 0.4399042 0.4311777), wk = 0.0038911 k( 52) = ( 0.0000000 0.4575004 0.4311777), wk = 0.0038911 k( 53) = ( 0.0000000 0.4750965 0.4311777), wk = 0.0038911 k( 54) = ( 0.0000000 0.4926927 0.4311777), wk = 0.0038911 k( 55) = ( 0.0000000 0.5102889 0.4311777), wk = 0.0038911 k( 56) = ( 0.0000000 0.5278850 0.4311777), wk = 0.0038911 k( 57) = ( 0.0000000 0.5278850 0.4311777), wk = 0.0038911 k( 58) = ( 0.0000000 0.5341850 0.4156487), wk = 0.0038911 k( 59) = ( 0.0000000 0.5404850 0.4001197), wk = 0.0038911 k( 60) = ( 0.0000000 0.5467851 0.3845906), wk = 0.0038911 k( 61) = ( 0.0000000 0.5530851 0.3690616), wk = 0.0038911 k( 62) = ( 0.0000000 0.5593851 0.3535326), wk = 0.0038911 k( 63) = ( 0.0000000 0.5656851 0.3380036), wk = 0.0038911 k( 64) = ( 0.0000000 0.5719851 0.3224745), wk = 0.0038911 k( 65) = ( 0.0000000 0.5782851 0.3069455), wk = 0.0038911 k( 66) = ( 0.0000000 0.5845851 0.2914165), wk = 0.0038911 k( 67) = ( 0.0000000 0.5908851 0.2758875), wk = 0.0038911 k( 68) = ( 0.0000000 0.5971851 0.2603585), wk = 0.0038911 k( 69) = ( 0.0000000 0.6034851 0.2448294), wk = 0.0038911 k( 70) = ( 0.0000000 0.6034851 0.2448294), wk = 0.0038911 k( 71) = ( 0.0178571 0.6034851 0.2448294), wk = 0.0038911 k( 72) = ( 0.0357143 0.6034851 0.2448294), wk = 0.0038911 k( 73) = ( 0.0535714 0.6034851 0.2448294), wk = 0.0038911 k( 74) = ( 0.0714286 0.6034851 0.2448294), wk = 0.0038911 k( 75) = ( 0.0892857 0.6034851 0.2448294), wk = 0.0038911 k( 76) = ( 0.1071429 0.6034851 0.2448294), wk = 0.0038911 k( 77) = ( 0.1250000 0.6034851 0.2448294), wk = 0.0038911 k( 78) = ( 0.1428571 0.6034851 0.2448294), wk = 0.0038911 k( 79) = ( 0.1607143 0.6034851 0.2448294), wk = 0.0038911 k( 80) = ( 0.1785714 0.6034851 0.2448294), wk = 0.0038911 k( 81) = ( 0.1964286 0.6034851 0.2448294), wk = 0.0038911 k( 82) = ( 0.2142857 0.6034851 0.2448294), wk = 0.0038911 k( 83) = ( 0.2321429 0.6034851 0.2448294), wk = 0.0038911 k( 84) = ( 0.2500000 0.6034851 0.2448294), wk = 0.0038911 k( 85) = ( 0.2678571 0.6034851 0.2448294), wk = 0.0038911 k( 86) = ( 0.2857143 0.6034851 0.2448294), wk = 0.0038911 k( 87) = ( 0.3035714 0.6034851 0.2448294), wk = 0.0038911 k( 88) = ( 0.3214286 0.6034851 0.2448294), wk = 0.0038911 k( 89) = ( 0.3392857 0.6034851 0.2448294), wk = 0.0038911 k( 90) = ( 0.3571429 0.6034851 0.2448294), wk = 0.0038911 k( 91) = ( 0.3750000 0.6034851 0.2448294), wk = 0.0038911 k( 92) = ( 0.3928571 0.6034851 0.2448294), wk = 0.0038911 k( 93) = ( 0.4107143 0.6034851 0.2448294), wk = 0.0038911 k( 94) = ( 0.4285714 0.6034851 0.2448294), wk = 0.0038911 k( 95) = ( 0.4464286 0.6034851 0.2448294), wk = 0.0038911 k( 96) = ( 0.4642857 0.6034851 0.2448294), wk = 0.0038911 k( 97) = ( 0.4821429 0.6034851 0.2448294), wk = 0.0038911 k( 98) = ( 0.5000000 0.6034851 0.2448294), wk = 0.0038911 k( 99) = ( 0.5000000 0.6034851 0.2448294), wk = 0.0038911 k( 100) = ( 0.5000000 0.6097852 0.2293004), wk = 0.0038911 k( 101) = ( 0.5000000 0.6160852 0.2137714), wk = 0.0038911 k( 102) = ( 0.5000000 0.6223852 0.1982424), wk = 0.0038911 k( 103) = ( 0.5000000 0.6286852 0.1827133), wk = 0.0038911 k( 104) = ( 0.5000000 0.6349852 0.1671843), wk = 0.0038911 k( 105) = ( 0.5000000 0.6412852 0.1516553), wk = 0.0038911 k( 106) = ( 0.5000000 0.6475852 0.1361263), wk = 0.0038911 k( 107) = ( 0.5000000 0.6538852 0.1205973), wk = 0.0038911 k( 108) = ( 0.5000000 0.6601852 0.1050682), wk = 0.0038911 k( 109) = ( 0.5000000 0.6664852 0.0895392), wk = 0.0038911 k( 110) = ( 0.5000000 0.6727852 0.0740102), wk = 0.0038911 k( 111) = ( 0.5000000 0.6790853 0.0584812), wk = 0.0038911 k( 112) = ( 0.5000000 0.6790853 0.0584812), wk = 0.0038911 k( 113) = ( 0.5000000 0.6740452 0.0421592), wk = 0.0038911 k( 114) = ( 0.5000000 0.6690052 0.0258372), wk = 0.0038911 k( 115) = ( 0.5000000 0.6639652 0.0095153), wk = 0.0038911 k( 116) = ( 0.5000000 0.6589252 -0.0068067), wk = 0.0038911 k( 117) = ( 0.5000000 0.6538852 -0.0231286), wk = 0.0038911 k( 118) = ( 0.5000000 0.6488452 -0.0394506), wk = 0.0038911 k( 119) = ( 0.5000000 0.6438052 -0.0557726), wk = 0.0038911 k( 120) = ( 0.5000000 0.6387652 -0.0720945), wk = 0.0038911 k( 121) = ( 0.5000000 0.6337252 -0.0884165), wk = 0.0038911 k( 122) = ( 0.5000000 0.6286852 -0.1047385), wk = 0.0038911 k( 123) = ( 0.5000000 0.6236452 -0.1210604), wk = 0.0038911 k( 124) = ( 0.5000000 0.6186052 -0.1373824), wk = 0.0038911 k( 125) = ( 0.5000000 0.6135652 -0.1537044), wk = 0.0038911 k( 126) = ( 0.5000000 0.6085251 -0.1700263), wk = 0.0038911 k( 127) = ( 0.5000000 0.6034851 -0.1863483), wk = 0.0038911 k( 128) = ( 0.5000000 0.6034851 -0.1863483), wk = 0.0038911 k( 129) = ( 0.4821429 0.6034851 -0.1863483), wk = 0.0038911 k( 130) = ( 0.4642857 0.6034851 -0.1863483), wk = 0.0038911 k( 131) = ( 0.4464286 0.6034851 -0.1863483), wk = 0.0038911 k( 132) = ( 0.4285714 0.6034851 -0.1863483), wk = 0.0038911 k( 133) = ( 0.4107143 0.6034851 -0.1863483), wk = 0.0038911 k( 134) = ( 0.3928571 0.6034851 -0.1863483), wk = 0.0038911 k( 135) = ( 0.3750000 0.6034851 -0.1863483), wk = 0.0038911 k( 136) = ( 0.3571429 0.6034851 -0.1863483), wk = 0.0038911 k( 137) = ( 0.3392857 0.6034851 -0.1863483), wk = 0.0038911 k( 138) = ( 0.3214286 0.6034851 -0.1863483), wk = 0.0038911 k( 139) = ( 0.3035714 0.6034851 -0.1863483), wk = 0.0038911 k( 140) = ( 0.2857143 0.6034851 -0.1863483), wk = 0.0038911 k( 141) = ( 0.2678571 0.6034851 -0.1863483), wk = 0.0038911 k( 142) = ( 0.2500000 0.6034851 -0.1863483), wk = 0.0038911 k( 143) = ( 0.2321429 0.6034851 -0.1863483), wk = 0.0038911 k( 144) = ( 0.2142857 0.6034851 -0.1863483), wk = 0.0038911 k( 145) = ( 0.1964286 0.6034851 -0.1863483), wk = 0.0038911 k( 146) = ( 0.1785714 0.6034851 -0.1863483), wk = 0.0038911 k( 147) = ( 0.1607143 0.6034851 -0.1863483), wk = 0.0038911 k( 148) = ( 0.1428571 0.6034851 -0.1863483), wk = 0.0038911 k( 149) = ( 0.1250000 0.6034851 -0.1863483), wk = 0.0038911 k( 150) = ( 0.1071429 0.6034851 -0.1863483), wk = 0.0038911 k( 151) = ( 0.0892857 0.6034851 -0.1863483), wk = 0.0038911 k( 152) = ( 0.0714286 0.6034851 -0.1863483), wk = 0.0038911 k( 153) = ( 0.0535714 0.6034851 -0.1863483), wk = 0.0038911 k( 154) = ( 0.0357143 0.6034851 -0.1863483), wk = 0.0038911 k( 155) = ( 0.0178571 0.6034851 -0.1863483), wk = 0.0038911 k( 156) = ( 0.0000000 0.6034851 -0.1863483), wk = 0.0038911 k( 157) = ( 0.0000000 0.6034851 -0.1863483), wk = 0.0038911 k( 158) = ( 0.0000000 0.6085251 -0.1700263), wk = 0.0038911 k( 159) = ( 0.0000000 0.6135652 -0.1537044), wk = 0.0038911 k( 160) = ( 0.0000000 0.6186052 -0.1373824), wk = 0.0038911 k( 161) = ( 0.0000000 0.6236452 -0.1210604), wk = 0.0038911 k( 162) = ( 0.0000000 0.6286852 -0.1047385), wk = 0.0038911 k( 163) = ( 0.0000000 0.6337252 -0.0884165), wk = 0.0038911 k( 164) = ( 0.0000000 0.6387652 -0.0720945), wk = 0.0038911 k( 165) = ( 0.0000000 0.6438052 -0.0557726), wk = 0.0038911 k( 166) = ( 0.0000000 0.6488452 -0.0394506), wk = 0.0038911 k( 167) = ( 0.0000000 0.6538852 -0.0231286), wk = 0.0038911 k( 168) = ( 0.0000000 0.6589252 -0.0068067), wk = 0.0038911 k( 169) = ( 0.0000000 0.6639652 0.0095153), wk = 0.0038911 k( 170) = ( 0.0000000 0.6690052 0.0258372), wk = 0.0038911 k( 171) = ( 0.0000000 0.6740452 0.0421592), wk = 0.0038911 k( 172) = ( 0.0000000 0.6790853 0.0584812), wk = 0.0038911 k( 173) = ( 0.5000000 0.5278850 0.4311777), wk = 0.0038911 k( 174) = ( 0.5000000 0.5102889 0.4311777), wk = 0.0038911 k( 175) = ( 0.5000000 0.4926927 0.4311777), wk = 0.0038911 k( 176) = ( 0.5000000 0.4750965 0.4311777), wk = 0.0038911 k( 177) = ( 0.5000000 0.4575004 0.4311777), wk = 0.0038911 k( 178) = ( 0.5000000 0.4399042 0.4311777), wk = 0.0038911 k( 179) = ( 0.5000000 0.4223080 0.4311777), wk = 0.0038911 k( 180) = ( 0.5000000 0.4047119 0.4311777), wk = 0.0038911 k( 181) = ( 0.5000000 0.3871157 0.4311777), wk = 0.0038911 k( 182) = ( 0.5000000 0.3695195 0.4311777), wk = 0.0038911 k( 183) = ( 0.5000000 0.3519233 0.4311777), wk = 0.0038911 k( 184) = ( 0.5000000 0.3343272 0.4311777), wk = 0.0038911 k( 185) = ( 0.5000000 0.3167310 0.4311777), wk = 0.0038911 k( 186) = ( 0.5000000 0.2991349 0.4311777), wk = 0.0038911 k( 187) = ( 0.5000000 0.2815387 0.4311777), wk = 0.0038911 k( 188) = ( 0.5000000 0.2639425 0.4311777), wk = 0.0038911 k( 189) = ( 0.5000000 0.2463464 0.4311777), wk = 0.0038911 k( 190) = ( 0.5000000 0.2287502 0.4311777), wk = 0.0038911 k( 191) = ( 0.5000000 0.2111540 0.4311777), wk = 0.0038911 k( 192) = ( 0.5000000 0.1935578 0.4311777), wk = 0.0038911 k( 193) = ( 0.5000000 0.1759617 0.4311777), wk = 0.0038911 k( 194) = ( 0.5000000 0.1583655 0.4311777), wk = 0.0038911 k( 195) = ( 0.5000000 0.1407693 0.4311777), wk = 0.0038911 k( 196) = ( 0.5000000 0.1231732 0.4311777), wk = 0.0038911 k( 197) = ( 0.5000000 0.1055770 0.4311777), wk = 0.0038911 k( 198) = ( 0.5000000 0.0879808 0.4311777), wk = 0.0038911 k( 199) = ( 0.5000000 0.0703847 0.4311777), wk = 0.0038911 k( 200) = ( 0.5000000 0.0527885 0.4311777), wk = 0.0038911 k( 201) = ( 0.5000000 0.0351923 0.4311777), wk = 0.0038911 k( 202) = ( 0.5000000 0.0175962 0.4311777), wk = 0.0038911 k( 203) = ( 0.5000000 -0.0000000 0.4311777), wk = 0.0038911 k( 204) = ( 0.5000000 -0.0000000 0.4311777), wk = 0.0038911 k( 205) = ( 0.5000000 -0.0000000 0.4132120), wk = 0.0038911 k( 206) = ( 0.5000000 -0.0000000 0.3952462), wk = 0.0038911 k( 207) = ( 0.5000000 -0.0000000 0.3772805), wk = 0.0038911 k( 208) = ( 0.5000000 -0.0000000 0.3593148), wk = 0.0038911 k( 209) = ( 0.5000000 -0.0000000 0.3413490), wk = 0.0038911 k( 210) = ( 0.5000000 -0.0000000 0.3233833), wk = 0.0038911 k( 211) = ( 0.5000000 -0.0000000 0.3054175), wk = 0.0038911 k( 212) = ( 0.5000000 -0.0000000 0.2874518), wk = 0.0038911 k( 213) = ( 0.5000000 -0.0000000 0.2694861), wk = 0.0038911 k( 214) = ( 0.5000000 -0.0000000 0.2515203), wk = 0.0038911 k( 215) = ( 0.5000000 -0.0000000 0.2335546), wk = 0.0038911 k( 216) = ( 0.5000000 -0.0000000 0.2155889), wk = 0.0038911 k( 217) = ( 0.5000000 -0.0000000 0.1976231), wk = 0.0038911 k( 218) = ( 0.5000000 -0.0000000 0.1796574), wk = 0.0038911 k( 219) = ( 0.5000000 -0.0000000 0.1616916), wk = 0.0038911 k( 220) = ( 0.5000000 -0.0000000 0.1437259), wk = 0.0038911 k( 221) = ( 0.5000000 -0.0000000 0.1257602), wk = 0.0038911 k( 222) = ( 0.5000000 -0.0000000 0.1077944), wk = 0.0038911 k( 223) = ( 0.5000000 -0.0000000 0.0898287), wk = 0.0038911 k( 224) = ( 0.5000000 -0.0000000 0.0718629), wk = 0.0038911 k( 225) = ( 0.5000000 -0.0000000 0.0538972), wk = 0.0038911 k( 226) = ( 0.5000000 -0.0000000 0.0359315), wk = 0.0038911 k( 227) = ( 0.5000000 -0.0000000 0.0179657), wk = 0.0038911 k( 228) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038911 k( 229) = ( 0.0000000 0.0000000 0.4311777), wk = 0.0038911 k( 230) = ( 0.0178571 -0.0000000 0.4311777), wk = 0.0038911 k( 231) = ( 0.0357143 -0.0000000 0.4311777), wk = 0.0038911 k( 232) = ( 0.0535714 -0.0000000 0.4311777), wk = 0.0038911 k( 233) = ( 0.0714286 -0.0000000 0.4311777), wk = 0.0038911 k( 234) = ( 0.0892857 -0.0000000 0.4311777), wk = 0.0038911 k( 235) = ( 0.1071429 -0.0000000 0.4311777), wk = 0.0038911 k( 236) = ( 0.1250000 -0.0000000 0.4311777), wk = 0.0038911 k( 237) = ( 0.1428571 -0.0000000 0.4311777), wk = 0.0038911 k( 238) = ( 0.1607143 -0.0000000 0.4311777), wk = 0.0038911 k( 239) = ( 0.1785714 -0.0000000 0.4311777), wk = 0.0038911 k( 240) = ( 0.1964286 -0.0000000 0.4311777), wk = 0.0038911 k( 241) = ( 0.2142857 -0.0000000 0.4311777), wk = 0.0038911 k( 242) = ( 0.2321429 -0.0000000 0.4311777), wk = 0.0038911 k( 243) = ( 0.2500000 -0.0000000 0.4311777), wk = 0.0038911 k( 244) = ( 0.2678571 -0.0000000 0.4311777), wk = 0.0038911 k( 245) = ( 0.2857143 -0.0000000 0.4311777), wk = 0.0038911 k( 246) = ( 0.3035714 -0.0000000 0.4311777), wk = 0.0038911 k( 247) = ( 0.3214286 -0.0000000 0.4311777), wk = 0.0038911 k( 248) = ( 0.3392857 -0.0000000 0.4311777), wk = 0.0038911 k( 249) = ( 0.3571429 -0.0000000 0.4311777), wk = 0.0038911 k( 250) = ( 0.3750000 -0.0000000 0.4311777), wk = 0.0038911 k( 251) = ( 0.3928571 -0.0000000 0.4311777), wk = 0.0038911 k( 252) = ( 0.4107143 -0.0000000 0.4311777), wk = 0.0038911 k( 253) = ( 0.4285714 -0.0000000 0.4311777), wk = 0.0038911 k( 254) = ( 0.4464286 -0.0000000 0.4311777), wk = 0.0038911 k( 255) = ( 0.4642857 -0.0000000 0.4311777), wk = 0.0038911 k( 256) = ( 0.4821429 -0.0000000 0.4311777), wk = 0.0038911 k( 257) = ( 0.5000000 -0.0000000 0.4311777), wk = 0.0038911 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 2) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0038911 k( 3) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0038911 k( 4) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0038911 k( 5) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0038911 k( 6) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0038911 k( 7) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0038911 k( 8) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0038911 k( 9) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0038911 k( 10) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0038911 k( 11) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0038911 k( 12) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0038911 k( 13) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038911 k( 14) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0038911 k( 15) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0038911 k( 16) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0038911 k( 17) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0038911 k( 18) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0038911 k( 19) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0038911 k( 20) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0038911 k( 21) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0038911 k( 22) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0038911 k( 23) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0038911 k( 24) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0038911 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038911 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038911 k( 27) = ( 0.0000000 0.0145788 0.5063007), wk = 0.0038911 k( 28) = ( 0.0000000 0.0291576 0.5126015), wk = 0.0038911 k( 29) = ( 0.0000000 0.0437364 0.5189022), wk = 0.0038911 k( 30) = ( 0.0000000 0.0583152 0.5252029), wk = 0.0038911 k( 31) = ( 0.0000000 0.0728940 0.5315036), wk = 0.0038911 k( 32) = ( 0.0000000 0.0874728 0.5378044), wk = 0.0038911 k( 33) = ( 0.0000000 0.1020515 0.5441051), wk = 0.0038911 k( 34) = ( 0.0000000 0.1166303 0.5504058), wk = 0.0038911 k( 35) = ( 0.0000000 0.1312091 0.5567065), wk = 0.0038911 k( 36) = ( 0.0000000 0.1457879 0.5630073), wk = 0.0038911 k( 37) = ( 0.0000000 0.1603667 0.5693080), wk = 0.0038911 k( 38) = ( 0.0000000 0.1749455 0.5756087), wk = 0.0038911 k( 39) = ( 0.0000000 0.1895243 0.5819094), wk = 0.0038911 k( 40) = ( 0.0000000 0.2041031 0.5882102), wk = 0.0038911 k( 41) = ( 0.0000000 0.2186819 0.5945109), wk = 0.0038911 k( 42) = ( 0.0000000 0.2332607 0.6008116), wk = 0.0038911 k( 43) = ( 0.0000000 0.2478395 0.6071123), wk = 0.0038911 k( 44) = ( 0.0000000 0.2624182 0.6134131), wk = 0.0038911 k( 45) = ( 0.0000000 0.2769970 0.6197138), wk = 0.0038911 k( 46) = ( 0.0000000 0.2915758 0.6260145), wk = 0.0038911 k( 47) = ( 0.0000000 0.3061546 0.6323152), wk = 0.0038911 k( 48) = ( 0.0000000 0.3207334 0.6386160), wk = 0.0038911 k( 49) = ( 0.0000000 0.3353122 0.6449167), wk = 0.0038911 k( 50) = ( 0.0000000 0.3498910 0.6512174), wk = 0.0038911 k( 51) = ( 0.0000000 0.3644698 0.6575182), wk = 0.0038911 k( 52) = ( 0.0000000 0.3790486 0.6638189), wk = 0.0038911 k( 53) = ( 0.0000000 0.3936274 0.6701196), wk = 0.0038911 k( 54) = ( 0.0000000 0.4082061 0.6764203), wk = 0.0038911 k( 55) = ( 0.0000000 0.4227849 0.6827210), wk = 0.0038911 k( 56) = ( 0.0000000 0.4373637 0.6890218), wk = 0.0038911 k( 57) = ( 0.0000000 0.4373637 0.6890218), wk = 0.0038911 k( 58) = ( 0.0000000 0.4425834 0.6732700), wk = 0.0038911 k( 59) = ( 0.0000000 0.4478031 0.6575182), wk = 0.0038911 k( 60) = ( 0.0000000 0.4530228 0.6417663), wk = 0.0038911 k( 61) = ( 0.0000000 0.4582425 0.6260145), wk = 0.0038911 k( 62) = ( 0.0000000 0.4634622 0.6102627), wk = 0.0038911 k( 63) = ( 0.0000000 0.4686819 0.5945109), wk = 0.0038911 k( 64) = ( 0.0000000 0.4739016 0.5787591), wk = 0.0038911 k( 65) = ( 0.0000000 0.4791212 0.5630073), wk = 0.0038911 k( 66) = ( 0.0000000 0.4843409 0.5472554), wk = 0.0038911 k( 67) = ( 0.0000000 0.4895606 0.5315036), wk = 0.0038911 k( 68) = ( 0.0000000 0.4947803 0.5157518), wk = 0.0038911 k( 69) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038911 k( 70) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038911 k( 71) = ( 0.0178571 0.5000000 0.5000000), wk = 0.0038911 k( 72) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0038911 k( 73) = ( 0.0535714 0.5000000 0.5000000), wk = 0.0038911 k( 74) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0038911 k( 75) = ( 0.0892857 0.5000000 0.5000000), wk = 0.0038911 k( 76) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0038911 k( 77) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0038911 k( 78) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0038911 k( 79) = ( 0.1607143 0.5000000 0.5000000), wk = 0.0038911 k( 80) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0038911 k( 81) = ( 0.1964286 0.5000000 0.5000000), wk = 0.0038911 k( 82) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0038911 k( 83) = ( 0.2321429 0.5000000 0.5000000), wk = 0.0038911 k( 84) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0038911 k( 85) = ( 0.2678571 0.5000000 0.5000000), wk = 0.0038911 k( 86) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0038911 k( 87) = ( 0.3035714 0.5000000 0.5000000), wk = 0.0038911 k( 88) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0038911 k( 89) = ( 0.3392857 0.5000000 0.5000000), wk = 0.0038911 k( 90) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0038911 k( 91) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0038911 k( 92) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0038911 k( 93) = ( 0.4107143 0.5000000 0.5000000), wk = 0.0038911 k( 94) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0038911 k( 95) = ( 0.4464286 0.5000000 0.5000000), wk = 0.0038911 k( 96) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0038911 k( 97) = ( 0.4821429 0.5000000 0.5000000), wk = 0.0038911 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 k( 100) = ( 0.5000000 0.5052197 0.4842482), wk = 0.0038911 k( 101) = ( 0.5000000 0.5104394 0.4684964), wk = 0.0038911 k( 102) = ( 0.5000000 0.5156591 0.4527446), wk = 0.0038911 k( 103) = ( 0.5000000 0.5208788 0.4369927), wk = 0.0038911 k( 104) = ( 0.5000000 0.5260984 0.4212409), wk = 0.0038911 k( 105) = ( 0.5000000 0.5313181 0.4054891), wk = 0.0038911 k( 106) = ( 0.5000000 0.5365378 0.3897373), wk = 0.0038911 k( 107) = ( 0.5000000 0.5417575 0.3739855), wk = 0.0038911 k( 108) = ( 0.5000000 0.5469772 0.3582337), wk = 0.0038911 k( 109) = ( 0.5000000 0.5521969 0.3424818), wk = 0.0038911 k( 110) = ( 0.5000000 0.5574166 0.3267300), wk = 0.0038911 k( 111) = ( 0.5000000 0.5626363 0.3109782), wk = 0.0038911 k( 112) = ( 0.5000000 0.5626363 0.3109782), wk = 0.0038911 k( 113) = ( 0.5000000 0.5584605 0.2902463), wk = 0.0038911 k( 114) = ( 0.5000000 0.5542848 0.2695145), wk = 0.0038911 k( 115) = ( 0.5000000 0.5501090 0.2487826), wk = 0.0038911 k( 116) = ( 0.5000000 0.5459333 0.2280507), wk = 0.0038911 k( 117) = ( 0.5000000 0.5417575 0.2073188), wk = 0.0038911 k( 118) = ( 0.5000000 0.5375818 0.1865869), wk = 0.0038911 k( 119) = ( 0.5000000 0.5334060 0.1658551), wk = 0.0038911 k( 120) = ( 0.5000000 0.5292303 0.1451232), wk = 0.0038911 k( 121) = ( 0.5000000 0.5250545 0.1243913), wk = 0.0038911 k( 122) = ( 0.5000000 0.5208788 0.1036594), wk = 0.0038911 k( 123) = ( 0.5000000 0.5167030 0.0829275), wk = 0.0038911 k( 124) = ( 0.5000000 0.5125272 0.0621956), wk = 0.0038911 k( 125) = ( 0.5000000 0.5083515 0.0414638), wk = 0.0038911 k( 126) = ( 0.5000000 0.5041758 0.0207319), wk = 0.0038911 k( 127) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038911 k( 128) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038911 k( 129) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0038911 k( 130) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0038911 k( 131) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0038911 k( 132) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0038911 k( 133) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0038911 k( 134) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0038911 k( 135) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0038911 k( 136) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0038911 k( 137) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0038911 k( 138) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0038911 k( 139) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0038911 k( 140) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0038911 k( 141) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0038911 k( 142) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0038911 k( 143) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0038911 k( 144) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0038911 k( 145) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0038911 k( 146) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0038911 k( 147) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0038911 k( 148) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0038911 k( 149) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0038911 k( 150) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0038911 k( 151) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0038911 k( 152) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0038911 k( 153) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0038911 k( 154) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0038911 k( 155) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0038911 k( 156) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038911 k( 157) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038911 k( 158) = ( 0.0000000 0.5041758 0.0207319), wk = 0.0038911 k( 159) = ( 0.0000000 0.5083515 0.0414638), wk = 0.0038911 k( 160) = ( 0.0000000 0.5125272 0.0621956), wk = 0.0038911 k( 161) = ( 0.0000000 0.5167030 0.0829275), wk = 0.0038911 k( 162) = ( 0.0000000 0.5208788 0.1036594), wk = 0.0038911 k( 163) = ( 0.0000000 0.5250545 0.1243913), wk = 0.0038911 k( 164) = ( 0.0000000 0.5292303 0.1451232), wk = 0.0038911 k( 165) = ( 0.0000000 0.5334060 0.1658551), wk = 0.0038911 k( 166) = ( 0.0000000 0.5375818 0.1865869), wk = 0.0038911 k( 167) = ( 0.0000000 0.5417575 0.2073188), wk = 0.0038911 k( 168) = ( 0.0000000 0.5459333 0.2280507), wk = 0.0038911 k( 169) = ( 0.0000000 0.5501090 0.2487826), wk = 0.0038911 k( 170) = ( 0.0000000 0.5542848 0.2695145), wk = 0.0038911 k( 171) = ( 0.0000000 0.5584605 0.2902463), wk = 0.0038911 k( 172) = ( 0.0000000 0.5626363 0.3109782), wk = 0.0038911 k( 173) = ( 0.5000000 0.4373637 0.6890218), wk = 0.0038911 k( 174) = ( 0.5000000 0.4227849 0.6827211), wk = 0.0038911 k( 175) = ( 0.5000000 0.4082061 0.6764203), wk = 0.0038911 k( 176) = ( 0.5000000 0.3936274 0.6701196), wk = 0.0038911 k( 177) = ( 0.5000000 0.3790486 0.6638189), wk = 0.0038911 k( 178) = ( 0.5000000 0.3644698 0.6575182), wk = 0.0038911 k( 179) = ( 0.5000000 0.3498910 0.6512174), wk = 0.0038911 k( 180) = ( 0.5000000 0.3353122 0.6449167), wk = 0.0038911 k( 181) = ( 0.5000000 0.3207334 0.6386160), wk = 0.0038911 k( 182) = ( 0.5000000 0.3061546 0.6323152), wk = 0.0038911 k( 183) = ( 0.5000000 0.2915758 0.6260145), wk = 0.0038911 k( 184) = ( 0.5000000 0.2769970 0.6197138), wk = 0.0038911 k( 185) = ( 0.5000000 0.2624182 0.6134131), wk = 0.0038911 k( 186) = ( 0.5000000 0.2478394 0.6071123), wk = 0.0038911 k( 187) = ( 0.5000000 0.2332607 0.6008116), wk = 0.0038911 k( 188) = ( 0.5000000 0.2186819 0.5945109), wk = 0.0038911 k( 189) = ( 0.5000000 0.2041031 0.5882102), wk = 0.0038911 k( 190) = ( 0.5000000 0.1895243 0.5819094), wk = 0.0038911 k( 191) = ( 0.5000000 0.1749455 0.5756087), wk = 0.0038911 k( 192) = ( 0.5000000 0.1603667 0.5693080), wk = 0.0038911 k( 193) = ( 0.5000000 0.1457879 0.5630073), wk = 0.0038911 k( 194) = ( 0.5000000 0.1312091 0.5567065), wk = 0.0038911 k( 195) = ( 0.5000000 0.1166303 0.5504058), wk = 0.0038911 k( 196) = ( 0.5000000 0.1020515 0.5441051), wk = 0.0038911 k( 197) = ( 0.5000000 0.0874728 0.5378044), wk = 0.0038911 k( 198) = ( 0.5000000 0.0728940 0.5315036), wk = 0.0038911 k( 199) = ( 0.5000000 0.0583152 0.5252029), wk = 0.0038911 k( 200) = ( 0.5000000 0.0437364 0.5189022), wk = 0.0038911 k( 201) = ( 0.5000000 0.0291576 0.5126015), wk = 0.0038911 k( 202) = ( 0.5000000 0.0145788 0.5063007), wk = 0.0038911 k( 203) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038911 k( 204) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038911 k( 205) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0038911 k( 206) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0038911 k( 207) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0038911 k( 208) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0038911 k( 209) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0038911 k( 210) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0038911 k( 211) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0038911 k( 212) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0038911 k( 213) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0038911 k( 214) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0038911 k( 215) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0038911 k( 216) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0038911 k( 217) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0038911 k( 218) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0038911 k( 219) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0038911 k( 220) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0038911 k( 221) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0038911 k( 222) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0038911 k( 223) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0038911 k( 224) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0038911 k( 225) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0038911 k( 226) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0038911 k( 227) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0038911 k( 228) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038911 k( 229) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038911 k( 230) = ( 0.0178571 -0.0000000 0.5000000), wk = 0.0038911 k( 231) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0038911 k( 232) = ( 0.0535714 -0.0000000 0.5000000), wk = 0.0038911 k( 233) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0038911 k( 234) = ( 0.0892857 -0.0000000 0.5000000), wk = 0.0038911 k( 235) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0038911 k( 236) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0038911 k( 237) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0038911 k( 238) = ( 0.1607143 -0.0000000 0.5000000), wk = 0.0038911 k( 239) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0038911 k( 240) = ( 0.1964286 -0.0000000 0.5000000), wk = 0.0038911 k( 241) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0038911 k( 242) = ( 0.2321429 -0.0000000 0.5000000), wk = 0.0038911 k( 243) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0038911 k( 244) = ( 0.2678571 -0.0000000 0.5000000), wk = 0.0038911 k( 245) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0038911 k( 246) = ( 0.3035714 0.0000000 0.5000000), wk = 0.0038911 k( 247) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0038911 k( 248) = ( 0.3392857 -0.0000000 0.5000000), wk = 0.0038911 k( 249) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0038911 k( 250) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0038911 k( 251) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0038911 k( 252) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0038911 k( 253) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0038911 k( 254) = ( 0.4464286 -0.0000000 0.5000000), wk = 0.0038911 k( 255) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0038911 k( 256) = ( 0.4821429 -0.0000000 0.5000000), wk = 0.0038911 k( 257) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038911 Dense grid: 114815 G-vectors FFT dimensions: ( 64, 54, 75) Smooth grid: 50743 G-vectors FFT dimensions: ( 48, 40, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.45 Mb ( 358, 82) NL pseudopotentials 0.50 Mb ( 179, 182) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3192) G-vector shells 0.02 Mb ( 3074) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.79 Mb ( 358, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.46 Mb ( 182, 2, 82) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaSeO3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.2 secs Computing kpt #: 4 total cpu time spent up to now is 8.9 secs Computing kpt #: 5 total cpu time spent up to now is 10.8 secs Computing kpt #: 6 total cpu time spent up to now is 13.0 secs Computing kpt #: 7 total cpu time spent up to now is 15.1 secs Computing kpt #: 8 total cpu time spent up to now is 16.8 secs Computing kpt #: 9 total cpu time spent up to now is 18.6 secs Computing kpt #: 10 total cpu time spent up to now is 20.3 secs Computing kpt #: 11 total cpu time spent up to now is 22.1 secs Computing kpt #: 12 total cpu time spent up to now is 23.8 secs Computing kpt #: 13 total cpu time spent up to now is 25.5 secs Computing kpt #: 14 total cpu time spent up to now is 27.2 secs Computing kpt #: 15 total cpu time spent up to now is 29.0 secs Computing kpt #: 16 total cpu time spent up to now is 30.8 secs Computing kpt #: 17 total cpu time spent up to now is 32.5 secs Computing kpt #: 18 total cpu time spent up to now is 34.3 secs Computing kpt #: 19 total cpu time spent up to now is 36.1 secs Computing kpt #: 20 total cpu time spent up to now is 37.9 secs Computing kpt #: 21 total cpu time spent up to now is 39.7 secs Computing kpt #: 22 total cpu time spent up to now is 41.6 secs Computing kpt #: 23 total cpu time spent up to now is 43.4 secs Computing kpt #: 24 total cpu time spent up to now is 45.3 secs Computing kpt #: 25 total cpu time spent up to now is 47.2 secs Computing kpt #: 26 total cpu time spent up to now is 49.2 secs Computing kpt #: 27 total cpu time spent up to now is 51.1 secs Computing kpt #: 28 total cpu time spent up to now is 53.2 secs Computing kpt #: 29 total cpu time spent up to now is 55.2 secs Computing kpt #: 30 total cpu time spent up to now is 57.4 secs Computing kpt #: 31 total cpu time spent up to now is 59.5 secs Computing kpt #: 32 total cpu time spent up to now is 61.7 secs Computing kpt #: 33 total cpu time spent up to now is 63.9 secs Computing kpt #: 34 total cpu time spent up to now is 66.1 secs Computing kpt #: 35 total cpu time spent up to now is 68.6 secs Computing kpt #: 36 total cpu time spent up to now is 71.2 secs Computing kpt #: 37 total cpu time spent up to now is 74.1 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.1 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.1 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 83.1 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.1 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.0 secs Computing kpt #: 43 total cpu time spent up to now is 91.8 secs Computing kpt #: 44 total cpu time spent up to now is 94.0 secs Computing kpt #: 45 total cpu time spent up to now is 96.1 secs Computing kpt #: 46 total cpu time spent up to now is 97.9 secs Computing kpt #: 47 total cpu time spent up to now is 99.5 secs Computing kpt #: 48 total cpu time spent up to now is 101.2 secs Computing kpt #: 49 total cpu time spent up to now is 102.7 secs Computing kpt #: 50 total cpu time spent up to now is 104.3 secs Computing kpt #: 51 total cpu time spent up to now is 105.7 secs Computing kpt #: 52 total cpu time spent up to now is 107.2 secs Computing kpt #: 53 total cpu time spent up to now is 108.7 secs Computing kpt #: 54 total cpu time spent up to now is 110.2 secs Computing kpt #: 55 total cpu time spent up to now is 111.8 secs Computing kpt #: 56 total cpu time spent up to now is 113.3 secs Computing kpt #: 57 total cpu time spent up to now is 114.8 secs Computing kpt #: 58 total cpu time spent up to now is 116.3 secs Computing kpt #: 59 total cpu time spent up to now is 117.8 secs Computing kpt #: 60 total cpu time spent up to now is 119.3 secs Computing kpt #: 61 total cpu time spent up to now is 120.7 secs Computing kpt #: 62 total cpu time spent up to now is 122.4 secs Computing kpt #: 63 total cpu time spent up to now is 124.0 secs Computing kpt #: 64 total cpu time spent up to now is 125.2 secs Computing kpt #: 65 total cpu time spent up to now is 126.5 secs Computing kpt #: 66 total cpu time spent up to now is 127.8 secs Computing kpt #: 67 total cpu time spent up to now is 129.0 secs Computing kpt #: 68 total cpu time spent up to now is 130.1 secs Computing kpt #: 69 total cpu time spent up to now is 131.3 secs Computing kpt #: 70 total cpu time spent up to now is 132.4 secs Computing kpt #: 71 total cpu time spent up to now is 133.5 secs Computing kpt #: 72 total cpu time spent up to now is 134.7 secs Computing kpt #: 73 total cpu time spent up to now is 135.8 secs Computing kpt #: 74 total cpu time spent up to now is 137.0 secs Computing kpt #: 75 total cpu time spent up to now is 138.1 secs Computing kpt #: 76 total cpu time spent up to now is 139.3 secs Computing kpt #: 77 total cpu time spent up to now is 140.4 secs Computing kpt #: 78 total cpu time spent up to now is 141.6 secs Computing kpt #: 79 total cpu time spent up to now is 142.7 secs Computing kpt #: 80 total cpu time spent up to now is 143.8 secs Computing kpt #: 81 total cpu time spent up to now is 145.0 secs Computing kpt #: 82 total cpu time spent up to now is 146.2 secs Computing kpt #: 83 total cpu time spent up to now is 147.3 secs Computing kpt #: 84 total cpu time spent up to now is 148.5 secs Computing kpt #: 85 total cpu time spent up to now is 149.8 secs Computing kpt #: 86 total cpu time spent up to now is 151.0 secs Computing kpt #: 87 total cpu time spent up to now is 152.3 secs Computing kpt #: 88 total cpu time spent up to now is 153.6 secs Computing kpt #: 89 total cpu time spent up to now is 155.0 secs Computing kpt #: 90 total cpu time spent up to now is 156.4 secs Computing kpt #: 91 total cpu time spent up to now is 158.0 secs Computing kpt #: 92 total cpu time spent up to now is 159.6 secs Computing kpt #: 93 total cpu time spent up to now is 161.3 secs Computing kpt #: 94 total cpu time spent up to now is 163.3 secs Computing kpt #: 95 total cpu time spent up to now is 165.7 secs Computing kpt #: 96 total cpu time spent up to now is 168.2 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 171.2 secs Computing kpt #: 98 total cpu time spent up to now is 172.5 secs Computing kpt #: 99 total cpu time spent up to now is 173.8 secs Computing kpt #: 100 total cpu time spent up to now is 176.4 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.4 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 182.4 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 185.5 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.5 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 191.5 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.6 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.6 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 200.6 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.6 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 206.7 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.7 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 212.7 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.8 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.8 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.2 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 228.2 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 231.2 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.3 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.3 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.3 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.4 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 246.4 secs Computing kpt #: 124 total cpu time spent up to now is 248.3 secs Computing kpt #: 125 total cpu time spent up to now is 250.1 secs Computing kpt #: 126 total cpu time spent up to now is 252.0 secs Computing kpt #: 127 total cpu time spent up to now is 253.4 secs Computing kpt #: 128 total cpu time spent up to now is 254.9 secs Computing kpt #: 129 total cpu time spent up to now is 256.6 secs Computing kpt #: 130 total cpu time spent up to now is 258.4 secs Computing kpt #: 131 total cpu time spent up to now is 260.3 secs Computing kpt #: 132 total cpu time spent up to now is 262.8 secs Computing kpt #: 133 total cpu time spent up to now is 265.5 secs Computing kpt #: 134 total cpu time spent up to now is 267.9 secs Computing kpt #: 135 total cpu time spent up to now is 270.3 secs Computing kpt #: 136 total cpu time spent up to now is 272.1 secs Computing kpt #: 137 total cpu time spent up to now is 274.4 secs Computing kpt #: 138 total cpu time spent up to now is 276.5 secs Computing kpt #: 139 total cpu time spent up to now is 278.5 secs Computing kpt #: 140 total cpu time spent up to now is 280.2 secs Computing kpt #: 141 total cpu time spent up to now is 281.8 secs Computing kpt #: 142 total cpu time spent up to now is 283.4 secs Computing kpt #: 143 total cpu time spent up to now is 284.8 secs Computing kpt #: 144 total cpu time spent up to now is 286.4 secs Computing kpt #: 145 total cpu time spent up to now is 287.8 secs Computing kpt #: 146 total cpu time spent up to now is 289.3 secs Computing kpt #: 147 total cpu time spent up to now is 290.8 secs Computing kpt #: 148 total cpu time spent up to now is 292.2 secs Computing kpt #: 149 total cpu time spent up to now is 293.7 secs Computing kpt #: 150 total cpu time spent up to now is 295.1 secs Computing kpt #: 151 total cpu time spent up to now is 296.4 secs Computing kpt #: 152 total cpu time spent up to now is 297.7 secs Computing kpt #: 153 total cpu time spent up to now is 299.1 secs Computing kpt #: 154 total cpu time spent up to now is 300.5 secs Computing kpt #: 155 total cpu time spent up to now is 301.8 secs Computing kpt #: 156 total cpu time spent up to now is 303.1 secs Computing kpt #: 157 total cpu time spent up to now is 304.5 secs Computing kpt #: 158 total cpu time spent up to now is 305.9 secs Computing kpt #: 159 total cpu time spent up to now is 307.2 secs Computing kpt #: 160 total cpu time spent up to now is 308.7 secs Computing kpt #: 161 total cpu time spent up to now is 310.2 secs Computing kpt #: 162 total cpu time spent up to now is 311.6 secs Computing kpt #: 163 total cpu time spent up to now is 313.2 secs Computing kpt #: 164 total cpu time spent up to now is 314.7 secs Computing kpt #: 165 total cpu time spent up to now is 316.3 secs Computing kpt #: 166 total cpu time spent up to now is 317.8 secs Computing kpt #: 167 total cpu time spent up to now is 319.4 secs Computing kpt #: 168 total cpu time spent up to now is 321.0 secs Computing kpt #: 169 total cpu time spent up to now is 322.6 secs Computing kpt #: 170 total cpu time spent up to now is 324.1 secs Computing kpt #: 171 total cpu time spent up to now is 325.6 secs Computing kpt #: 172 total cpu time spent up to now is 327.2 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.2 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 333.2 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.3 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 339.3 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.4 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.4 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 348.5 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.5 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 354.5 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 357.6 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 360.7 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.8 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 366.9 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 370.0 secs Computing kpt #: 187 total cpu time spent up to now is 371.8 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 374.8 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 377.9 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 381.0 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 384.1 secs Computing kpt #: 192 total cpu time spent up to now is 387.1 secs Computing kpt #: 193 total cpu time spent up to now is 389.1 secs Computing kpt #: 194 total cpu time spent up to now is 391.0 secs Computing kpt #: 195 total cpu time spent up to now is 392.8 secs Computing kpt #: 196 total cpu time spent up to now is 395.3 secs Computing kpt #: 197 total cpu time spent up to now is 397.2 secs Computing kpt #: 198 total cpu time spent up to now is 399.0 secs Computing kpt #: 199 total cpu time spent up to now is 400.9 secs Computing kpt #: 200 total cpu time spent up to now is 402.8 secs Computing kpt #: 201 total cpu time spent up to now is 404.7 secs Computing kpt #: 202 total cpu time spent up to now is 407.0 secs Computing kpt #: 203 total cpu time spent up to now is 408.6 secs Computing kpt #: 204 total cpu time spent up to now is 410.3 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 413.4 secs Computing kpt #: 206 total cpu time spent up to now is 415.7 secs Computing kpt #: 207 total cpu time spent up to now is 417.6 secs Computing kpt #: 208 total cpu time spent up to now is 420.3 secs Computing kpt #: 209 total cpu time spent up to now is 422.7 secs Computing kpt #: 210 total cpu time spent up to now is 424.7 secs Computing kpt #: 211 total cpu time spent up to now is 426.7 secs Computing kpt #: 212 total cpu time spent up to now is 428.9 secs Computing kpt #: 213 total cpu time spent up to now is 431.1 secs Computing kpt #: 214 total cpu time spent up to now is 433.3 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 436.4 secs Computing kpt #: 216 total cpu time spent up to now is 438.4 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.5 secs Computing kpt #: 218 total cpu time spent up to now is 443.4 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 446.5 secs Computing kpt #: 220 total cpu time spent up to now is 448.8 secs Computing kpt #: 221 total cpu time spent up to now is 450.7 secs Computing kpt #: 222 total cpu time spent up to now is 452.6 secs Computing kpt #: 223 total cpu time spent up to now is 454.5 secs Computing kpt #: 224 total cpu time spent up to now is 456.7 secs Computing kpt #: 225 total cpu time spent up to now is 458.9 secs Computing kpt #: 226 total cpu time spent up to now is 460.9 secs Computing kpt #: 227 total cpu time spent up to now is 462.8 secs Computing kpt #: 228 total cpu time spent up to now is 464.5 secs Computing kpt #: 229 total cpu time spent up to now is 466.5 secs Computing kpt #: 230 total cpu time spent up to now is 468.4 secs Computing kpt #: 231 total cpu time spent up to now is 470.3 secs Computing kpt #: 232 total cpu time spent up to now is 472.3 secs Computing kpt #: 233 total cpu time spent up to now is 474.5 secs Computing kpt #: 234 total cpu time spent up to now is 476.4 secs Computing kpt #: 235 total cpu time spent up to now is 478.5 secs Computing kpt #: 236 total cpu time spent up to now is 480.5 secs Computing kpt #: 237 total cpu time spent up to now is 482.7 secs Computing kpt #: 238 total cpu time spent up to now is 484.9 secs Computing kpt #: 239 total cpu time spent up to now is 487.1 secs Computing kpt #: 240 total cpu time spent up to now is 489.5 secs Computing kpt #: 241 total cpu time spent up to now is 491.8 secs Computing kpt #: 242 total cpu time spent up to now is 494.2 secs Computing kpt #: 243 total cpu time spent up to now is 496.3 secs Computing kpt #: 244 total cpu time spent up to now is 498.2 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.2 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.3 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 507.4 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 510.5 secs Computing kpt #: 249 total cpu time spent up to now is 512.6 secs Computing kpt #: 250 total cpu time spent up to now is 517.5 secs Computing kpt #: 251 total cpu time spent up to now is 519.6 secs Computing kpt #: 252 total cpu time spent up to now is 521.4 secs Computing kpt #: 253 total cpu time spent up to now is 523.4 secs Computing kpt #: 254 total cpu time spent up to now is 525.2 secs Computing kpt #: 255 total cpu time spent up to now is 527.4 secs Computing kpt #: 256 total cpu time spent up to now is 529.3 secs Computing kpt #: 257 total cpu time spent up to now is 531.1 secs ethr = 1.47E-08, avg # of iterations = 65.8 total cpu time spent up to now is 531.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6391 PWs) bands (ev): -19.0296 -19.0296 -18.9565 -18.9565 -14.2346 -14.2346 -14.1744 -14.1744 -11.5105 -11.5105 -11.3770 -11.3770 -11.3572 -11.3572 -11.3241 -11.3241 -5.6474 -5.6474 -5.5621 -5.5621 -4.0971 -4.0971 -3.7024 -3.7024 -3.6747 -3.6747 -3.5697 -3.5697 -3.5109 -3.5109 -3.4516 -3.4516 0.5289 0.5289 0.6673 0.6673 0.6789 0.6789 1.0494 1.0494 1.4529 1.4529 1.8605 1.8605 3.6666 3.6666 3.7023 3.7023 3.9061 3.9061 4.0006 4.0006 4.5184 4.5184 4.6766 4.6766 5.0603 5.0603 5.1801 5.1801 5.1983 5.1983 5.3009 5.3009 5.3406 5.3406 5.4814 5.4814 10.3985 10.3985 11.2043 11.2043 11.4848 11.4848 12.3907 12.3907 12.6206 12.6206 12.6848 12.6848 12.8044 12.8044 k = 0.0000 0.0000 0.0180 ( 6388 PWs) bands (ev): -19.0295 -19.0295 -18.9566 -18.9566 -14.2349 -14.2349 -14.1743 -14.1743 -11.5104 -11.5104 -11.3767 -11.3767 -11.3572 -11.3572 -11.3241 -11.3241 -5.6475 -5.6475 -5.5622 -5.5622 -4.0973 -4.0973 -3.7061 -3.7061 -3.6715 -3.6715 -3.5697 -3.5697 -3.5124 -3.5124 -3.4491 -3.4491 0.5288 0.5288 0.6675 0.6675 0.6799 0.6799 1.0483 1.0483 1.4523 1.4523 1.8598 1.8598 3.6674 3.6674 3.7014 3.7014 3.9069 3.9069 4.0015 4.0015 4.5188 4.5188 4.6771 4.6771 5.0578 5.0578 5.1798 5.1798 5.1976 5.1976 5.3017 5.3017 5.3403 5.3403 5.4827 5.4827 10.3992 10.3992 11.2037 11.2037 11.4848 11.4848 12.3891 12.3891 12.6182 12.6182 12.6805 12.6805 12.8146 12.8146 k = 0.0000 0.0000 0.0359 ( 6385 PWs) bands (ev): -19.0293 -19.0293 -18.9567 -18.9567 -14.2357 -14.2357 -14.1740 -14.1740 -11.5100 -11.5100 -11.3760 -11.3760 -11.3573 -11.3573 -11.3239 -11.3239 -5.6478 -5.6478 -5.5627 -5.5627 -4.0980 -4.0980 -3.7146 -3.7146 -3.6647 -3.6647 -3.5698 -3.5698 -3.5163 -3.5163 -3.4424 -3.4424 0.5285 0.5285 0.6684 0.6684 0.6827 0.6827 1.0447 1.0447 1.4504 1.4504 1.8579 1.8579 3.6699 3.6699 3.6990 3.6990 3.9091 3.9091 4.0041 4.0041 4.5201 4.5201 4.6787 4.6787 5.0506 5.0506 5.1789 5.1789 5.1958 5.1958 5.3038 5.3038 5.3394 5.3394 5.4869 5.4869 10.4016 10.4016 11.2020 11.2020 11.4848 11.4848 12.3842 12.3842 12.6087 12.6087 12.6763 12.6763 12.8394 12.8394 k = 0.0000 0.0000 0.0539 ( 6380 PWs) bands (ev): -19.0290 -19.0290 -18.9570 -18.9570 -14.2370 -14.2370 -14.1736 -14.1736 -11.5095 -11.5095 -11.3749 -11.3749 -11.3575 -11.3575 -11.3236 -11.3236 -5.6482 -5.6482 -5.5634 -5.5634 -4.0992 -4.0992 -3.7251 -3.7251 -3.6570 -3.6570 -3.5700 -3.5700 -3.5208 -3.5208 -3.4329 -3.4329 0.5281 0.5281 0.6701 0.6701 0.6871 0.6871 1.0390 1.0390 1.4474 1.4474 1.8548 1.8548 3.6739 3.6739 3.6953 3.6953 3.9126 3.9126 4.0084 4.0084 4.5222 4.5222 4.6814 4.6814 5.0393 5.0393 5.1771 5.1771 5.1934 5.1934 5.3063 5.3063 5.3380 5.3380 5.4938 5.4938 10.4054 10.4054 11.1994 11.1994 11.4847 11.4847 12.3752 12.3752 12.5917 12.5917 12.6811 12.6811 12.8706 12.8706 k = 0.0000 0.0000 0.0719 ( 6372 PWs) bands (ev): -19.0286 -19.0286 -18.9573 -18.9573 -14.2389 -14.2389 -14.1731 -14.1731 -11.5087 -11.5087 -11.3733 -11.3733 -11.3578 -11.3578 -11.3232 -11.3232 -5.6488 -5.6488 -5.5644 -5.5644 -4.1007 -4.1007 -3.7369 -3.7369 -3.6494 -3.6494 -3.5703 -3.5703 -3.5250 -3.5250 -3.4219 -3.4219 0.5275 0.5275 0.6728 0.6728 0.6928 0.6928 1.0311 1.0311 1.4432 1.4432 1.8505 1.8505 3.6787 3.6787 3.6909 3.6909 3.9172 3.9172 4.0143 4.0143 4.5252 4.5252 4.6851 4.6851 5.0249 5.0249 5.1740 5.1740 5.1908 5.1908 5.3083 5.3083 5.3361 5.3361 5.5033 5.5033 10.4106 10.4106 11.1960 11.1960 11.4844 11.4844 12.3615 12.3615 12.5727 12.5727 12.6939 12.6939 12.9041 12.9041 k = 0.0000 0.0000 0.0898 ( 6374 PWs) bands (ev): -19.0280 -19.0280 -18.9578 -18.9578 -14.2411 -14.2411 -14.1726 -14.1726 -11.5078 -11.5078 -11.3713 -11.3713 -11.3582 -11.3582 -11.3226 -11.3226 -5.6495 -5.6495 -5.5657 -5.5657 -4.1025 -4.1025 -3.7496 -3.7496 -3.6423 -3.6423 -3.5706 -3.5706 -3.5278 -3.5278 -3.4100 -3.4100 0.5266 0.5266 0.6765 0.6765 0.6998 0.6998 1.0214 1.0214 1.4377 1.4377 1.8451 1.8451 3.6801 3.6801 3.6903 3.6903 3.9226 3.9226 4.0218 4.0218 4.5291 4.5291 4.6900 4.6900 5.0081 5.0081 5.1695 5.1695 5.1885 5.1885 5.3091 5.3091 5.3337 5.3337 5.5151 5.5151 10.4171 10.4171 11.1921 11.1921 11.4839 11.4839 12.3428 12.3428 12.5561 12.5561 12.7121 12.7121 12.9375 12.9375 k = 0.0000 0.0000 0.1078 ( 6371 PWs) bands (ev): -19.0273 -19.0273 -18.9583 -18.9583 -14.2437 -14.2437 -14.1720 -14.1720 -11.5066 -11.5066 -11.3689 -11.3689 -11.3588 -11.3588 -11.3219 -11.3219 -5.6504 -5.6504 -5.5672 -5.5672 -4.1045 -4.1045 -3.7630 -3.7630 -3.6361 -3.6361 -3.5711 -3.5711 -3.5288 -3.5288 -3.3977 -3.3977 0.5256 0.5256 0.6810 0.6810 0.7081 0.7081 1.0101 1.0101 1.4311 1.4311 1.8388 1.8388 3.6746 3.6746 3.6969 3.6969 3.9285 3.9285 4.0305 4.0305 4.5337 4.5337 4.6959 4.6959 4.9899 4.9899 5.1637 5.1637 5.1864 5.1864 5.3085 5.3085 5.3307 5.3307 5.5288 5.5288 10.4248 10.4248 11.1882 11.1882 11.4830 11.4830 12.3194 12.3194 12.5436 12.5436 12.7339 12.7339 12.9599 12.9599 k = 0.0000 0.0000 0.1258 ( 6364 PWs) bands (ev): -19.0266 -19.0266 -18.9589 -18.9589 -14.2466 -14.2466 -14.1713 -14.1713 -11.5052 -11.5052 -11.3663 -11.3663 -11.3595 -11.3595 -11.3210 -11.3210 -5.6513 -5.6513 -5.5690 -5.5690 -4.1066 -4.1066 -3.7770 -3.7770 -3.6310 -3.6310 -3.5718 -3.5718 -3.5277 -3.5277 -3.3853 -3.3853 0.5242 0.5242 0.6860 0.6860 0.7178 0.7178 0.9974 0.9974 1.4232 1.4232 1.8318 1.8318 3.6674 3.6674 3.7055 3.7055 3.9348 3.9348 4.0406 4.0406 4.5392 4.5392 4.7029 4.7029 4.9709 4.9709 5.1568 5.1568 5.1844 5.1844 5.3065 5.3065 5.3272 5.3272 5.5438 5.5438 10.4335 10.4335 11.1846 11.1846 11.4816 11.4816 12.2926 12.2926 12.5353 12.5353 12.7580 12.7580 12.9312 12.9312 k = 0.0000 0.0000 0.1437 ( 6357 PWs) bands (ev): -19.0257 -19.0257 -18.9596 -18.9596 -14.2496 -14.2496 -14.1708 -14.1708 -11.5037 -11.5037 -11.3636 -11.3636 -11.3601 -11.3601 -11.3200 -11.3200 -5.6523 -5.6523 -5.5711 -5.5711 -4.1088 -4.1088 -3.7914 -3.7914 -3.6271 -3.6271 -3.5728 -3.5728 -3.5244 -3.5244 -3.3731 -3.3731 0.5227 0.5227 0.6914 0.6914 0.7290 0.7290 0.9839 0.9839 1.4142 1.4142 1.8240 1.8240 3.6596 3.6596 3.7149 3.7149 3.9411 3.9411 4.0517 4.0517 4.5454 4.5454 4.7109 4.7109 4.9516 4.9516 5.1489 5.1489 5.1824 5.1824 5.3032 5.3032 5.3231 5.3231 5.5597 5.5597 10.4431 10.4431 11.1815 11.1815 11.4796 11.4796 12.2639 12.2639 12.5303 12.5303 12.7830 12.7830 12.8934 12.8934 k = 0.0000 0.0000 0.1617 ( 6353 PWs) bands (ev): -19.0247 -19.0247 -18.9604 -18.9604 -14.2529 -14.2529 -14.1702 -14.1702 -11.5020 -11.5020 -11.3625 -11.3625 -11.3590 -11.3590 -11.3188 -11.3188 -5.6533 -5.6533 -5.5733 -5.5733 -4.1108 -4.1108 -3.8063 -3.8063 -3.6242 -3.6242 -3.5739 -3.5739 -3.5191 -3.5191 -3.3612 -3.3612 0.5210 0.5210 0.6968 0.6968 0.7417 0.7417 0.9698 0.9698 1.4040 1.4040 1.8157 1.8157 3.6515 3.6515 3.7245 3.7245 3.9474 3.9474 4.0638 4.0638 4.5524 4.5524 4.7198 4.7198 4.9324 4.9324 5.1403 5.1403 5.1804 5.1804 5.2989 5.2989 5.3183 5.3183 5.5759 5.5759 10.4533 10.4533 11.1794 11.1794 11.4768 11.4768 12.2346 12.2346 12.5277 12.5277 12.8063 12.8063 12.8607 12.8607 k = 0.0000 0.0000 0.1797 ( 6349 PWs) bands (ev): -19.0237 -19.0237 -18.9612 -18.9612 -14.2562 -14.2562 -14.1697 -14.1697 -11.5002 -11.5002 -11.3635 -11.3635 -11.3558 -11.3558 -11.3175 -11.3175 -5.6543 -5.6543 -5.5758 -5.5758 -4.1127 -4.1127 -3.8213 -3.8213 -3.6222 -3.6222 -3.5752 -3.5752 -3.5122 -3.5122 -3.3498 -3.3498 0.5191 0.5191 0.7021 0.7021 0.7556 0.7556 0.9555 0.9555 1.3926 1.3926 1.8071 1.8071 3.6434 3.6434 3.7342 3.7342 3.9534 3.9534 4.0768 4.0768 4.5600 4.5600 4.7294 4.7294 4.9138 4.9138 5.1309 5.1309 5.1783 5.1783 5.2938 5.2938 5.3130 5.3130 5.5920 5.5920 10.4639 10.4639 11.1784 11.1784 11.4731 11.4731 12.2059 12.2059 12.5267 12.5267 12.8116 12.8116 12.8496 12.8496 k = 0.0000 0.0000 0.1976 ( 6351 PWs) bands (ev): -19.0225 -19.0225 -18.9621 -18.9621 -14.2595 -14.2595 -14.1693 -14.1693 -11.4983 -11.4983 -11.3649 -11.3649 -11.3522 -11.3522 -11.3161 -11.3161 -5.6552 -5.6552 -5.5784 -5.5784 -4.1143 -4.1143 -3.8363 -3.8363 -3.6210 -3.6210 -3.5765 -3.5765 -3.5039 -3.5039 -3.3389 -3.3389 0.5171 0.5171 0.7071 0.7071 0.7707 0.7707 0.9417 0.9417 1.3801 1.3801 1.7983 1.7983 3.6355 3.6355 3.7435 3.7435 3.9590 3.9590 4.0906 4.0906 4.5682 4.5682 4.7397 4.7397 4.8960 4.8960 5.1210 5.1210 5.1762 5.1762 5.2881 5.2881 5.3071 5.3071 5.6078 5.6078 10.4748 10.4748 11.1788 11.1788 11.4684 11.4684 12.1786 12.1786 12.5268 12.5268 12.7901 12.7901 12.8685 12.8685 k = 0.0000 0.0000 0.2156 ( 6351 PWs) bands (ev): -19.0214 -19.0214 -18.9631 -18.9631 -14.2628 -14.2628 -14.1690 -14.1690 -11.4963 -11.4963 -11.3665 -11.3665 -11.3485 -11.3485 -11.3147 -11.3147 -5.6562 -5.6562 -5.5811 -5.5811 -4.1156 -4.1156 -3.8512 -3.8512 -3.6203 -3.6203 -3.5778 -3.5778 -3.4949 -3.4949 -3.3287 -3.3287 0.5149 0.5149 0.7117 0.7117 0.7863 0.7863 0.9289 0.9289 1.3665 1.3665 1.7895 1.7895 3.6278 3.6278 3.7522 3.7522 3.9643 3.9643 4.1050 4.1050 4.5770 4.5770 4.7502 4.7502 4.8794 4.8794 5.1106 5.1106 5.1741 5.1741 5.2818 5.2818 5.3010 5.3010 5.6228 5.6228 10.4857 10.4857 11.1808 11.1808 11.4625 11.4625 12.1533 12.1533 12.5277 12.5277 12.7673 12.7673 12.8915 12.8915 k = 0.0000 0.0000 0.2336 ( 6347 PWs) bands (ev): -19.0201 -19.0201 -18.9641 -18.9641 -14.2661 -14.2661 -14.1687 -14.1687 -11.4942 -11.4942 -11.3683 -11.3683 -11.3447 -11.3447 -11.3132 -11.3132 -5.6570 -5.6570 -5.5839 -5.5839 -4.1165 -4.1165 -3.8659 -3.8659 -3.6198 -3.6198 -3.5792 -3.5792 -3.4854 -3.4854 -3.3192 -3.3192 0.5126 0.5126 0.7158 0.7158 0.8018 0.8018 0.9181 0.9181 1.3518 1.3518 1.7808 1.7808 3.6204 3.6204 3.7602 3.7602 3.9690 3.9690 4.1198 4.1198 4.5861 4.5861 4.7607 4.7607 4.8644 4.8644 5.0998 5.0998 5.1720 5.1720 5.2751 5.2751 5.2947 5.2947 5.6370 5.6370 10.4965 10.4965 11.1843 11.1843 11.4555 11.4555 12.1304 12.1304 12.5290 12.5290 12.7475 12.7475 12.9140 12.9140 k = 0.0000 0.0000 0.2515 ( 6343 PWs) bands (ev): -19.0189 -19.0189 -18.9651 -18.9651 -14.2692 -14.2692 -14.1685 -14.1685 -11.4921 -11.4921 -11.3701 -11.3701 -11.3409 -11.3409 -11.3118 -11.3118 -5.6577 -5.6577 -5.5868 -5.5868 -4.1170 -4.1170 -3.8802 -3.8802 -3.6196 -3.6196 -3.5805 -3.5805 -3.4758 -3.4758 -3.3105 -3.3105 0.5102 0.5102 0.7195 0.7195 0.8157 0.8157 0.9106 0.9106 1.3362 1.3362 1.7723 1.7723 3.6134 3.6134 3.7673 3.7673 3.9733 3.9733 4.1348 4.1348 4.5956 4.5956 4.7703 4.7703 4.8516 4.8516 5.0888 5.0888 5.1700 5.1700 5.2680 5.2680 5.2883 5.2883 5.6501 5.6501 10.5069 10.5069 11.1895 11.1895 11.4472 11.4472 12.1099 12.1099 12.5305 12.5305 12.7311 12.7311 12.9351 12.9351 k = 0.0000 0.0000 0.2695 ( 6341 PWs) bands (ev): -19.0177 -19.0177 -18.9661 -18.9661 -14.2721 -14.2721 -14.1683 -14.1683 -11.4899 -11.4899 -11.3720 -11.3720 -11.3371 -11.3371 -11.3105 -11.3105 -5.6584 -5.6584 -5.5897 -5.5897 -4.1172 -4.1172 -3.8940 -3.8940 -3.6195 -3.6195 -3.5818 -3.5818 -3.4663 -3.4663 -3.3027 -3.3027 0.5078 0.5078 0.7227 0.7227 0.8260 0.8260 0.9087 0.9087 1.3198 1.3198 1.7642 1.7642 3.6069 3.6069 3.7735 3.7735 3.9770 3.9770 4.1497 4.1497 4.6053 4.6053 4.7780 4.7780 4.8421 4.8421 5.0777 5.0777 5.1681 5.1681 5.2607 5.2607 5.2822 5.2822 5.6621 5.6621 10.5168 10.5168 11.1964 11.1964 11.4378 11.4378 12.0921 12.0921 12.5322 12.5322 12.7181 12.7181 12.9546 12.9546 k = 0.0000 0.0000 0.2875 ( 6331 PWs) bands (ev): -19.0164 -19.0164 -18.9671 -18.9671 -14.2749 -14.2749 -14.1682 -14.1682 -11.4878 -11.4878 -11.3739 -11.3739 -11.3335 -11.3335 -11.3093 -11.3093 -5.6589 -5.6589 -5.5925 -5.5925 -4.1169 -4.1169 -3.9070 -3.9070 -3.6195 -3.6195 -3.5830 -3.5830 -3.4571 -3.4571 -3.2957 -3.2957 0.5053 0.5053 0.7254 0.7254 0.8306 0.8306 0.9142 0.9142 1.3026 1.3026 1.7567 1.7567 3.6010 3.6010 3.7787 3.7787 3.9803 3.9803 4.1643 4.1643 4.6149 4.6149 4.7819 4.7819 4.8375 4.8375 5.0668 5.0668 5.1663 5.1663 5.2532 5.2532 5.2763 5.2763 5.6728 5.6728 10.5260 10.5260 11.2047 11.2047 11.4273 11.4273 12.0768 12.0768 12.5340 12.5340 12.7082 12.7082 12.9725 12.9725 k = 0.0000 0.0000 0.3054 ( 6338 PWs) bands (ev): -19.0152 -19.0152 -18.9682 -18.9682 -14.2774 -14.2774 -14.1682 -14.1682 -11.4858 -11.4858 -11.3758 -11.3758 -11.3301 -11.3301 -11.3083 -11.3083 -5.6593 -5.6593 -5.5952 -5.5952 -4.1162 -4.1162 -3.9192 -3.9192 -3.6195 -3.6195 -3.5841 -3.5841 -3.4485 -3.4485 -3.2895 -3.2895 0.5029 0.5029 0.7277 0.7277 0.8301 0.8301 0.9265 0.9265 1.2847 1.2847 1.7497 1.7497 3.5956 3.5956 3.7831 3.7831 3.9830 3.9830 4.1782 4.1782 4.6243 4.6243 4.7811 4.7811 4.8386 4.8386 5.0562 5.0562 5.1645 5.1645 5.2457 5.2457 5.2709 5.2709 5.6823 5.6823 10.5344 10.5344 11.2144 11.2144 11.4159 11.4159 12.0639 12.0639 12.5358 12.5358 12.7009 12.7009 12.9885 12.9885 k = 0.0000 0.0000 0.3234 ( 6334 PWs) bands (ev): -19.0141 -19.0141 -18.9691 -18.9691 -14.2797 -14.2797 -14.1681 -14.1681 -11.4840 -11.4840 -11.3775 -11.3775 -11.3268 -11.3268 -11.3074 -11.3074 -5.6595 -5.6595 -5.5977 -5.5977 -4.1152 -4.1152 -3.9304 -3.9304 -3.6195 -3.6195 -3.5851 -3.5851 -3.4406 -3.4406 -3.2843 -3.2843 0.5005 0.5005 0.7294 0.7294 0.8269 0.8269 0.9429 0.9429 1.2666 1.2666 1.7435 1.7435 3.5909 3.5909 3.7865 3.7865 3.9852 3.9852 4.1912 4.1912 4.6333 4.6333 4.7769 4.7769 4.8439 4.8439 5.0462 5.0462 5.1630 5.1630 5.2384 5.2384 5.2661 5.2661 5.6905 5.6905 10.5419 10.5419 11.2252 11.2252 11.4037 11.4037 12.0533 12.0533 12.5376 12.5376 12.6961 12.6961 13.0028 13.0028 k = 0.0000 0.0000 0.3413 ( 6329 PWs) bands (ev): -19.0131 -19.0131 -18.9700 -18.9700 -14.2816 -14.2816 -14.1681 -14.1681 -11.4823 -11.4823 -11.3792 -11.3792 -11.3239 -11.3239 -11.3068 -11.3068 -5.6597 -5.6597 -5.6000 -5.6000 -4.1141 -4.1141 -3.9403 -3.9403 -3.6195 -3.6195 -3.5860 -3.5860 -3.4337 -3.4337 -3.2799 -3.2799 0.4983 0.4983 0.7308 0.7308 0.8229 0.8229 0.9613 0.9613 1.2483 1.2483 1.7381 1.7381 3.5869 3.5869 3.7893 3.7893 3.9871 3.9871 4.2028 4.2028 4.6416 4.6416 4.7714 4.7714 4.8510 4.8510 5.0370 5.0370 5.1616 5.1616 5.2315 5.2315 5.2618 5.2618 5.6974 5.6974 10.5484 10.5484 11.2370 11.2370 11.3909 11.3909 12.0447 12.0447 12.5393 12.5393 12.6931 12.6931 13.0151 13.0151 k = 0.0000 0.0000 0.3593 ( 6325 PWs) bands (ev): -19.0122 -19.0122 -18.9708 -18.9708 -14.2832 -14.2832 -14.1681 -14.1681 -11.4808 -11.4808 -11.3806 -11.3806 -11.3213 -11.3213 -11.3063 -11.3063 -5.6598 -5.6598 -5.6020 -5.6020 -4.1128 -4.1128 -3.9489 -3.9489 -3.6195 -3.6195 -3.5868 -3.5868 -3.4278 -3.4278 -3.2764 -3.2764 0.4964 0.4964 0.7317 0.7317 0.8190 0.8190 0.9800 0.9800 1.2306 1.2306 1.7336 1.7336 3.5835 3.5835 3.7914 3.7914 3.9885 3.9885 4.2128 4.2128 4.6490 4.6490 4.7660 4.7660 4.8582 4.8582 5.0289 5.0289 5.1603 5.1603 5.2254 5.2254 5.2583 5.2583 5.7031 5.7031 10.5538 10.5538 11.2495 11.2495 11.3779 11.3779 12.0379 12.0379 12.5408 12.5408 12.6915 12.6915 13.0255 13.0255 k = 0.0000 0.0000 0.3773 ( 6331 PWs) bands (ev): -19.0115 -19.0115 -18.9714 -18.9714 -14.2845 -14.2845 -14.1681 -14.1681 -11.4796 -11.4796 -11.3817 -11.3817 -11.3192 -11.3192 -11.3061 -11.3061 -5.6598 -5.6598 -5.6036 -5.6036 -4.1115 -4.1115 -3.9558 -3.9558 -3.6195 -3.6195 -3.5874 -3.5874 -3.4230 -3.4230 -3.2736 -3.2736 0.4948 0.4948 0.7324 0.7324 0.8157 0.8157 0.9976 0.9976 1.2140 1.2140 1.7300 1.7300 3.5809 3.5809 3.7929 3.7929 3.9896 3.9896 4.2209 4.2209 4.6551 4.6551 4.7615 4.7615 4.8645 4.8645 5.0222 5.0222 5.1593 5.1593 5.2203 5.2203 5.2555 5.2555 5.7075 5.7075 10.5580 10.5580 11.2620 11.2620 11.3649 11.3649 12.0329 12.0329 12.5421 12.5421 12.6908 12.6908 13.0337 13.0337 k = 0.0000 0.0000 0.3952 ( 6336 PWs) bands (ev): -19.0109 -19.0109 -18.9719 -18.9719 -14.2855 -14.2855 -14.1682 -14.1682 -11.4787 -11.4787 -11.3826 -11.3826 -11.3175 -11.3175 -11.3060 -11.3060 -5.6598 -5.6598 -5.6048 -5.6048 -4.1105 -4.1105 -3.9610 -3.9610 -3.6195 -3.6195 -3.5879 -3.5879 -3.4196 -3.4196 -3.2717 -3.2717 0.4935 0.4935 0.7329 0.7329 0.8133 0.8133 1.0126 1.0126 1.2000 1.2000 1.7274 1.7274 3.5790 3.5790 3.7939 3.7939 3.9903 3.9903 4.2268 4.2268 4.6596 4.6596 4.7581 4.7581 4.8695 4.8695 5.0172 5.0172 5.1585 5.1585 5.2164 5.2164 5.2534 5.2534 5.7106 5.7106 10.5611 10.5611 11.2740 11.2740 11.3527 11.3527 12.0293 12.0293 12.5431 12.5431 12.6906 12.6906 13.0397 13.0397 k = 0.0000 0.0000 0.4132 ( 6339 PWs) bands (ev): -19.0106 -19.0106 -18.9722 -18.9722 -14.2860 -14.2860 -14.1682 -14.1682 -11.4781 -11.4781 -11.3831 -11.3831 -11.3164 -11.3164 -11.3060 -11.3060 -5.6598 -5.6598 -5.6055 -5.6055 -4.1098 -4.1098 -3.9642 -3.9642 -3.6195 -3.6195 -3.5882 -3.5882 -3.4175 -3.4175 -3.2706 -3.2706 0.4928 0.4928 0.7331 0.7331 0.8118 0.8118 1.0230 1.0230 1.1901 1.1901 1.7259 1.7259 3.5779 3.5779 3.7945 3.7945 3.9908 3.9908 4.2304 4.2304 4.6625 4.6625 4.7560 4.7560 4.8727 4.8727 5.0141 5.0141 5.1580 5.1580 5.2140 5.2140 5.2522 5.2522 5.7124 5.7124 10.5629 10.5629 11.2838 11.2838 11.3428 11.3428 12.0273 12.0273 12.5437 12.5437 12.6907 12.6907 13.0434 13.0434 k = 0.0000 0.0000 0.4312 ( 6328 PWs) bands (ev): -19.0104 -19.0104 -18.9723 -18.9723 -14.2862 -14.2862 -14.1682 -14.1682 -11.4779 -11.4779 -11.3833 -11.3833 -11.3161 -11.3161 -11.3060 -11.3060 -5.6598 -5.6598 -5.6058 -5.6058 -4.1096 -4.1096 -3.9652 -3.9652 -3.6195 -3.6195 -3.5882 -3.5882 -3.4168 -3.4168 -3.2702 -3.2702 0.4925 0.4925 0.7332 0.7332 0.8113 0.8113 1.0268 1.0268 1.1866 1.1866 1.7253 1.7253 3.5775 3.5775 3.7947 3.7947 3.9909 3.9909 4.2317 4.2317 4.6634 4.6634 4.7553 4.7553 4.8737 4.8737 5.0131 5.0131 5.1579 5.1579 5.2132 5.2132 5.2518 5.2518 5.7131 5.7131 10.5635 10.5635 11.2880 11.2880 11.3386 11.3386 12.0266 12.0266 12.5440 12.5440 12.6907 12.6907 13.0446 13.0446 k = 0.0000 0.0000 0.4312 ( 6328 PWs) bands (ev): -19.0104 -19.0104 -18.9723 -18.9723 -14.2862 -14.2862 -14.1682 -14.1682 -11.4779 -11.4779 -11.3833 -11.3833 -11.3161 -11.3161 -11.3060 -11.3060 -5.6598 -5.6598 -5.6058 -5.6058 -4.1096 -4.1096 -3.9652 -3.9652 -3.6195 -3.6195 -3.5882 -3.5882 -3.4168 -3.4168 -3.2702 -3.2702 0.4925 0.4925 0.7332 0.7332 0.8113 0.8113 1.0268 1.0268 1.1866 1.1866 1.7253 1.7253 3.5775 3.5775 3.7947 3.7947 3.9909 3.9909 4.2317 4.2317 4.6634 4.6634 4.7553 4.7553 4.8737 4.8737 5.0131 5.0131 5.1579 5.1579 5.2132 5.2132 5.2518 5.2518 5.7131 5.7131 10.5635 10.5635 11.2880 11.2880 11.3386 11.3386 12.0266 12.0266 12.5440 12.5440 12.6907 12.6907 13.0446 13.0446 k = 0.0000 0.0176 0.4312 ( 6340 PWs) bands (ev): -19.0104 -19.0104 -18.9723 -18.9723 -14.2862 -14.2862 -14.1681 -14.1681 -11.4778 -11.4778 -11.3833 -11.3833 -11.3170 -11.3170 -11.3056 -11.3056 -5.6600 -5.6600 -5.6061 -5.6061 -4.1108 -4.1108 -3.9666 -3.9666 -3.6209 -3.6209 -3.5879 -3.5879 -3.4171 -3.4171 -3.2679 -3.2679 0.4934 0.4934 0.7349 0.7349 0.8133 0.8133 1.0271 1.0271 1.1869 1.1869 1.7257 1.7257 3.5785 3.5785 3.7935 3.7935 3.9913 3.9913 4.2287 4.2287 4.6632 4.6632 4.7556 4.7556 4.8760 4.8760 5.0128 5.0128 5.1578 5.1578 5.2131 5.2131 5.2527 5.2527 5.7134 5.7134 10.5629 10.5629 11.2792 11.2792 11.3462 11.3462 12.0257 12.0257 12.5450 12.5450 12.6885 12.6885 13.0440 13.0440 k = 0.0000 0.0352 0.4312 ( 6344 PWs) bands (ev): -19.0101 -19.0101 -18.9722 -18.9722 -14.2861 -14.2861 -14.1680 -14.1680 -11.4774 -11.4774 -11.3833 -11.3833 -11.3193 -11.3193 -11.3047 -11.3047 -5.6604 -5.6604 -5.6070 -5.6070 -4.1144 -4.1144 -3.9707 -3.9707 -3.6246 -3.6246 -3.5873 -3.5873 -3.4179 -3.4179 -3.2614 -3.2614 0.4962 0.4962 0.7402 0.7402 0.8193 0.8193 1.0280 1.0280 1.1879 1.1879 1.7268 1.7268 3.5815 3.5815 3.7901 3.7901 3.9924 3.9924 4.2200 4.2200 4.6625 4.6625 4.7567 4.7567 4.8825 4.8825 5.0120 5.0120 5.1578 5.1578 5.2128 5.2128 5.2552 5.2552 5.7143 5.7143 10.5610 10.5610 11.2606 11.2606 11.3614 11.3614 12.0233 12.0233 12.5479 12.5479 12.6822 12.6822 13.0424 13.0424 k = 0.0000 0.0528 0.4312 ( 6348 PWs) bands (ev): -19.0097 -19.0097 -18.9720 -18.9720 -14.2860 -14.2860 -14.1678 -14.1678 -11.4768 -11.4768 -11.3833 -11.3833 -11.3226 -11.3226 -11.3038 -11.3038 -5.6612 -5.6612 -5.6085 -5.6085 -4.1203 -4.1203 -3.9775 -3.9775 -3.6299 -3.6299 -3.5871 -3.5871 -3.4186 -3.4186 -3.2513 -3.2513 0.5008 0.5008 0.7489 0.7489 0.8291 0.8291 1.0296 1.0296 1.1895 1.1895 1.7286 1.7286 3.5864 3.5864 3.7845 3.7845 3.9941 3.9941 4.2059 4.2059 4.6614 4.6614 4.7590 4.7590 4.8924 4.8924 5.0108 5.0108 5.1578 5.1578 5.2124 5.2124 5.2593 5.2593 5.7158 5.7158 10.5579 10.5579 11.2385 11.2385 11.3780 11.3780 12.0193 12.0193 12.5519 12.5519 12.6718 12.6718 13.0401 13.0401 k = 0.0000 0.0704 0.4312 ( 6348 PWs) bands (ev): -19.0092 -19.0092 -18.9718 -18.9718 -14.2858 -14.2858 -14.1674 -14.1674 -11.4759 -11.4759 -11.3833 -11.3833 -11.3266 -11.3266 -11.3032 -11.3032 -5.6623 -5.6623 -5.6105 -5.6105 -4.1284 -4.1284 -3.9870 -3.9870 -3.6361 -3.6361 -3.5879 -3.5879 -3.4186 -3.4186 -3.2384 -3.2384 0.5073 0.5073 0.7610 0.7610 0.8426 0.8426 1.0319 1.0319 1.1918 1.1918 1.7311 1.7311 3.5932 3.5932 3.7770 3.7770 3.9965 3.9965 4.1870 4.1870 4.6601 4.6601 4.7627 4.7627 4.9044 4.9044 5.0092 5.0092 5.1576 5.1576 5.2123 5.2123 5.2648 5.2648 5.7179 5.7179 10.5535 10.5535 11.2147 11.2147 11.3940 11.3940 12.0137 12.0137 12.5557 12.5557 12.6580 12.6580 13.0376 13.0376 k = 0.0000 0.0880 0.4312 ( 6346 PWs) bands (ev): -19.0085 -19.0085 -18.9716 -18.9716 -14.2856 -14.2856 -14.1670 -14.1670 -11.4748 -11.4748 -11.3833 -11.3833 -11.3311 -11.3311 -11.3030 -11.3030 -5.6636 -5.6636 -5.6132 -5.6132 -4.1386 -4.1386 -3.9990 -3.9990 -3.6426 -3.6426 -3.5899 -3.5899 -3.4174 -3.4174 -3.2235 -3.2235 0.5156 0.5156 0.7763 0.7763 0.8594 0.8594 1.0349 1.0349 1.1947 1.1947 1.7342 1.7342 3.6019 3.6019 3.7678 3.7678 3.9995 3.9995 4.1639 4.1639 4.6587 4.6587 4.7682 4.7682 4.9174 4.9174 5.0074 5.0074 5.1573 5.1573 5.2127 5.2127 5.2715 5.2715 5.7205 5.7205 10.5480 10.5480 11.1900 11.1900 11.4089 11.4089 12.0067 12.0067 12.5577 12.5577 12.6417 12.6417 13.0355 13.0355 k = 0.0000 0.1056 0.4312 ( 6343 PWs) bands (ev): -19.0077 -19.0077 -18.9713 -18.9713 -14.2853 -14.2853 -14.1665 -14.1665 -11.4734 -11.4734 -11.3834 -11.3834 -11.3360 -11.3360 -11.3032 -11.3032 -5.6653 -5.6653 -5.6164 -5.6164 -4.1507 -4.1507 -4.0134 -4.0134 -3.6492 -3.6492 -3.5931 -3.5931 -3.4149 -3.4149 -3.2071 -3.2071 0.5256 0.5256 0.7948 0.7948 0.8793 0.8793 1.0388 1.0388 1.1983 1.1983 1.7380 1.7380 3.6122 3.6122 3.7571 3.7571 4.0029 4.0029 4.1375 4.1375 4.6574 4.6574 4.7753 4.7753 4.9302 4.9302 5.0054 5.0054 5.1569 5.1569 5.2138 5.2138 5.2793 5.2793 5.7237 5.7237 10.5412 10.5412 11.1647 11.1647 11.4224 11.4224 11.9979 11.9979 12.5555 12.5555 12.6240 12.6240 13.0347 13.0347 k = 0.0000 0.1232 0.4312 ( 6349 PWs) bands (ev): -19.0067 -19.0067 -18.9709 -18.9709 -14.2849 -14.2849 -14.1659 -14.1659 -11.4718 -11.4718 -11.3834 -11.3834 -11.3413 -11.3413 -11.3038 -11.3038 -5.6673 -5.6673 -5.6202 -5.6202 -4.1644 -4.1644 -4.0301 -4.0301 -3.6556 -3.6556 -3.5974 -3.5974 -3.4111 -3.4111 -3.1898 -3.1898 0.5373 0.5373 0.8161 0.8161 0.9015 0.9015 1.0438 1.0438 1.2025 1.2025 1.7423 1.7423 3.6240 3.6240 3.7453 3.7453 4.0068 4.0068 4.1086 4.1086 4.6563 4.6563 4.7840 4.7840 4.9417 4.9417 5.0037 5.0037 5.1562 5.1562 5.2159 5.2159 5.2881 5.2881 5.7272 5.7272 10.5333 10.5333 11.1389 11.1389 11.4345 11.4345 11.9872 11.9872 12.5463 12.5463 12.6065 12.6065 13.0360 13.0360 k = 0.0000 0.1408 0.4312 ( 6351 PWs) bands (ev): -19.0056 -19.0056 -18.9705 -18.9705 -14.2846 -14.2846 -14.1653 -14.1653 -11.4700 -11.4700 -11.3835 -11.3835 -11.3470 -11.3470 -11.3048 -11.3048 -5.6696 -5.6696 -5.6246 -5.6246 -4.1796 -4.1796 -4.0487 -4.0487 -3.6617 -3.6617 -3.6025 -3.6025 -3.4061 -3.4061 -3.1720 -3.1720 0.5508 0.5508 0.8400 0.8400 0.9256 0.9256 1.0504 1.0504 1.2073 1.2073 1.7471 1.7471 3.6371 3.6371 3.7327 3.7327 4.0108 4.0108 4.0779 4.0779 4.6555 4.6555 4.7941 4.7941 4.9509 4.9509 5.0027 5.0027 5.1552 5.1552 5.2192 5.2192 5.2977 5.2977 5.7312 5.7312 10.5244 10.5244 11.1129 11.1129 11.4451 11.4451 11.9743 11.9743 12.5291 12.5291 12.5897 12.5897 13.0403 13.0403 k = 0.0000 0.1584 0.4312 ( 6352 PWs) bands (ev): -19.0044 -19.0044 -18.9701 -18.9701 -14.2841 -14.2841 -14.1646 -14.1646 -11.4680 -11.4680 -11.3837 -11.3837 -11.3530 -11.3530 -11.3063 -11.3063 -5.6721 -5.6721 -5.6294 -5.6294 -4.1961 -4.1961 -4.0691 -4.0691 -3.6676 -3.6676 -3.6082 -3.6082 -3.4002 -3.4002 -3.1540 -3.1540 0.5658 0.5658 0.8662 0.8662 0.9504 0.9504 1.0592 1.0592 1.2128 1.2128 1.7523 1.7523 3.6511 3.6511 3.7199 3.7199 4.0141 4.0141 4.0472 4.0472 4.6552 4.6552 4.8054 4.8054 4.9569 4.9569 5.0025 5.0025 5.1539 5.1539 5.2238 5.2238 5.3081 5.3081 5.7355 5.7355 10.5143 10.5143 11.0867 11.0867 11.4541 11.4541 11.9586 11.9586 12.5050 12.5050 12.5714 12.5714 13.0479 13.0479 k = 0.0000 0.1760 0.4312 ( 6348 PWs) bands (ev): -19.0031 -19.0031 -18.9696 -18.9696 -14.2837 -14.2837 -14.1638 -14.1638 -11.4658 -11.4658 -11.3839 -11.3839 -11.3592 -11.3592 -11.3081 -11.3081 -5.6749 -5.6749 -5.6347 -5.6347 -4.2136 -4.2136 -4.0908 -4.0908 -3.6731 -3.6731 -3.6143 -3.6143 -3.3935 -3.3935 -3.1359 -3.1359 0.5823 0.5823 0.8942 0.8942 0.9746 0.9746 1.0715 1.0715 1.2189 1.2189 1.7579 1.7579 3.6649 3.6649 3.7080 3.7080 4.0057 4.0057 4.0278 4.0278 4.6555 4.6555 4.8175 4.8175 4.9595 4.9595 5.0032 5.0032 5.1523 5.1523 5.2299 5.2299 5.3191 5.3191 5.7401 5.7401 10.5033 10.5033 11.0605 11.0605 11.4614 11.4614 11.9401 11.9401 12.4765 12.4765 12.5492 12.5492 13.0590 13.0590 k = 0.0000 0.1936 0.4312 ( 6353 PWs) bands (ev): -19.0016 -19.0016 -18.9692 -18.9692 -14.2831 -14.2831 -14.1630 -14.1630 -11.4634 -11.4634 -11.3842 -11.3842 -11.3656 -11.3656 -11.3102 -11.3102 -5.6780 -5.6780 -5.6404 -5.6404 -4.2319 -4.2319 -4.1137 -4.1137 -3.6783 -3.6783 -3.6206 -3.6206 -3.3862 -3.3862 -3.1179 -3.1179 0.6002 0.6002 0.9234 0.9234 0.9965 0.9965 1.0886 1.0886 1.2257 1.2257 1.7637 1.7637 3.6739 3.6739 3.7016 3.7016 3.9762 3.9762 4.0297 4.0297 4.6567 4.6567 4.8303 4.8303 4.9592 4.9592 5.0040 5.0040 5.1504 5.1504 5.2376 5.2376 5.3306 5.3306 5.7450 5.7450 10.4913 10.4913 11.0345 11.0345 11.4665 11.4665 11.9188 11.9188 12.4449 12.4449 12.5218 12.5218 13.0730 13.0730 k = 0.0000 0.2112 0.4312 ( 6352 PWs) bands (ev): -19.0000 -19.0000 -18.9687 -18.9687 -14.2826 -14.2826 -14.1621 -14.1621 -11.4609 -11.4609 -11.3848 -11.3848 -11.3719 -11.3719 -11.3127 -11.3127 -5.6814 -5.6814 -5.6466 -5.6466 -4.2509 -4.2509 -4.1373 -4.1373 -3.6832 -3.6832 -3.6270 -3.6270 -3.3785 -3.3785 -3.1003 -3.1003 0.6193 0.6193 0.9528 0.9528 1.0156 1.0156 1.1116 1.1116 1.2333 1.2333 1.7697 1.7697 3.6693 3.6693 3.7095 3.7095 3.9442 3.9442 4.0349 4.0349 4.6587 4.6587 4.8434 4.8434 4.9570 4.9570 5.0040 5.0040 5.1481 5.1481 5.2466 5.2466 5.3425 5.3425 5.7501 5.7501 10.4785 10.4785 11.0086 11.0086 11.4687 11.4687 11.8952 11.8952 12.4112 12.4112 12.4890 12.4890 13.0890 13.0890 k = 0.0000 0.2288 0.4312 ( 6350 PWs) bands (ev): -18.9984 -18.9984 -18.9682 -18.9682 -14.2819 -14.2819 -14.1612 -14.1612 -11.4583 -11.4583 -11.3860 -11.3860 -11.3778 -11.3778 -11.3155 -11.3155 -5.6850 -5.6850 -5.6531 -5.6531 -4.2702 -4.2702 -4.1615 -4.1615 -3.6878 -3.6878 -3.6335 -3.6335 -3.3704 -3.3704 -3.0830 -3.0830 0.6396 0.6396 0.9804 0.9804 1.0335 1.0335 1.1396 1.1396 1.2418 1.2418 1.7758 1.7758 3.6580 3.6580 3.7247 3.7247 3.9126 3.9126 4.0409 4.0409 4.6617 4.6617 4.8566 4.8566 4.9536 4.9536 5.0025 5.0025 5.1456 5.1456 5.2569 5.2569 5.3546 5.3546 5.7555 5.7555 10.4648 10.4648 10.9831 10.9831 11.4670 11.4670 11.8703 11.8703 12.3753 12.3753 12.4515 12.4515 13.1041 13.1047 k = 0.0000 0.2463 0.4312 ( 6352 PWs) bands (ev): -18.9966 -18.9966 -18.9677 -18.9677 -14.2813 -14.2813 -14.1602 -14.1602 -11.4556 -11.4556 -11.3890 -11.3890 -11.3819 -11.3819 -11.3186 -11.3186 -5.6889 -5.6889 -5.6598 -5.6598 -4.2898 -4.2898 -4.1859 -4.1859 -3.6921 -3.6921 -3.6399 -3.6399 -3.3622 -3.3622 -3.0662 -3.0662 0.6608 0.6608 1.0030 1.0030 1.0539 1.0539 1.1710 1.1710 1.2516 1.2516 1.7820 1.7820 3.6456 3.6456 3.7414 3.7414 3.8822 3.8822 4.0476 4.0476 4.6658 4.6658 4.8696 4.8696 4.9496 4.9496 4.9994 4.9994 5.1428 5.1428 5.2681 5.2681 5.3668 5.3668 5.7611 5.7611 10.4504 10.4504 10.9580 10.9580 11.4599 11.4599 11.8455 11.8455 12.3370 12.3370 12.4108 12.4108 13.1032 13.1047 k = 0.0000 0.2639 0.4312 ( 6359 PWs) bands (ev): -18.9948 -18.9948 -18.9673 -18.9673 -14.2806 -14.2806 -14.1592 -14.1592 -11.4529 -11.4529 -11.3944 -11.3944 -11.3837 -11.3837 -11.3218 -11.3218 -5.6930 -5.6930 -5.6668 -5.6668 -4.3094 -4.3094 -4.2103 -4.2103 -3.6962 -3.6962 -3.6463 -3.6463 -3.3538 -3.3538 -3.0500 -3.0500 0.6828 0.6828 1.0187 1.0187 1.0795 1.0795 1.2039 1.2039 1.2631 1.2631 1.7880 1.7880 3.6333 3.6333 3.7581 3.7581 3.8536 3.8536 4.0548 4.0548 4.6710 4.6710 4.8820 4.8820 4.9454 4.9454 4.9946 4.9946 5.1398 5.1398 5.2802 5.2802 5.3790 5.3790 5.7670 5.7670 10.4354 10.4354 10.9335 10.9335 11.4457 11.4457 11.8226 11.8226 12.2953 12.2953 12.3692 12.3692 13.0749 13.0751 k = 0.0000 0.2815 0.4312 ( 6356 PWs) bands (ev): -18.9929 -18.9929 -18.9668 -18.9668 -14.2798 -14.2798 -14.1582 -14.1582 -11.4502 -11.4502 -11.4005 -11.4005 -11.3847 -11.3847 -11.3252 -11.3252 -5.6975 -5.6975 -5.6738 -5.6738 -4.3290 -4.3290 -4.2345 -4.2345 -3.7001 -3.7001 -3.6526 -3.6526 -3.3453 -3.3453 -3.0344 -3.0344 0.7053 0.7053 1.0291 1.0291 1.1085 1.1085 1.2359 1.2359 1.2781 1.2781 1.7939 1.7939 3.6215 3.6215 3.7742 3.7742 3.8272 3.8272 4.0628 4.0628 4.6773 4.6773 4.8931 4.8931 4.9416 4.9416 4.9883 4.9883 5.1366 5.1366 5.2928 5.2928 5.3910 5.3910 5.7732 5.7732 10.4198 10.4198 10.9096 10.9096 11.4230 11.4230 11.8027 11.8027 12.2495 12.2495 12.3293 12.3293 13.0412 13.0412 k = 0.0000 0.2991 0.4312 ( 6348 PWs) bands (ev): -18.9910 -18.9910 -18.9664 -18.9664 -14.2791 -14.2791 -14.1572 -14.1572 -11.4478 -11.4478 -11.4065 -11.4065 -11.3855 -11.3855 -11.3288 -11.3288 -5.7022 -5.7022 -5.6808 -5.6808 -4.3482 -4.3482 -4.2582 -4.2582 -3.7037 -3.7037 -3.6588 -3.6588 -3.3368 -3.3368 -3.0195 -3.0195 0.7283 0.7283 1.0367 1.0367 1.1383 1.1383 1.2632 1.2632 1.2998 1.2998 1.7996 1.7996 3.6103 3.6103 3.7875 3.7875 3.8051 3.8051 4.0716 4.0716 4.6847 4.6847 4.9018 4.9018 4.9390 4.9390 4.9811 4.9811 5.1333 5.1333 5.3058 5.3058 5.4026 5.4026 5.7797 5.7797 10.4036 10.4036 10.8865 10.8865 11.3915 11.3915 11.7858 11.7858 12.2007 12.2007 12.2927 12.2927 13.0064 13.0064 k = 0.0000 0.3167 0.4312 ( 6351 PWs) bands (ev): -18.9890 -18.9890 -18.9661 -18.9661 -14.2782 -14.2782 -14.1562 -14.1562 -11.4458 -11.4458 -11.4118 -11.4118 -11.3864 -11.3864 -11.3325 -11.3325 -5.7073 -5.7073 -5.6876 -5.6876 -4.3670 -4.3670 -4.2812 -4.2812 -3.7071 -3.7071 -3.6649 -3.6649 -3.3284 -3.3284 -3.0054 -3.0054 0.7514 0.7514 1.0426 1.0426 1.1670 1.1670 1.2845 1.2845 1.3293 1.3293 1.8049 1.8049 3.5998 3.5998 3.7784 3.7784 3.8069 3.8069 4.0813 4.0813 4.6932 4.6932 4.9061 4.9061 4.9390 4.9390 4.9734 4.9734 5.1299 5.1299 5.3190 5.3190 5.4138 5.4138 5.7866 5.7866 10.3871 10.3871 10.8641 10.8641 11.3517 11.3517 11.7697 11.7697 12.1520 12.1520 12.2597 12.2597 12.9715 12.9715 k = 0.0000 0.3343 0.4312 ( 6352 PWs) bands (ev): -18.9870 -18.9870 -18.9657 -18.9657 -14.2774 -14.2774 -14.1552 -14.1552 -11.4449 -11.4449 -11.4161 -11.4161 -11.3874 -11.3874 -11.3362 -11.3362 -5.7128 -5.7128 -5.6940 -5.6940 -4.3853 -4.3853 -4.3035 -4.3035 -3.7103 -3.7103 -3.6709 -3.6709 -3.3200 -3.3200 -2.9920 -2.9920 0.7744 0.7744 1.0475 1.0475 1.1933 1.1933 1.3041 1.3041 1.3626 1.3626 1.8099 1.8099 3.5901 3.5901 3.7606 3.7606 3.8190 3.8190 4.0919 4.0919 4.7026 4.7026 4.9049 4.9049 4.9412 4.9412 4.9668 4.9668 5.1264 5.1264 5.3325 5.3325 5.4244 5.4244 5.7939 5.7939 10.3703 10.3703 10.8426 10.8426 11.3054 11.3054 11.7510 11.7510 12.1081 12.1081 12.2298 12.2298 12.9368 12.9368 k = 0.0000 0.3519 0.4312 ( 6342 PWs) bands (ev): -18.9850 -18.9850 -18.9655 -18.9655 -14.2765 -14.2765 -14.1542 -14.1542 -11.4455 -11.4455 -11.4186 -11.4186 -11.3885 -11.3885 -11.3400 -11.3400 -5.7187 -5.7187 -5.6999 -5.6999 -4.4030 -4.4030 -4.3247 -4.3247 -3.7133 -3.7133 -3.6766 -3.6766 -3.3118 -3.3118 -2.9794 -2.9794 0.7972 0.7972 1.0517 1.0517 1.2163 1.2163 1.3245 1.3245 1.3966 1.3966 1.8145 1.8145 3.5810 3.5810 3.7452 3.7452 3.8303 3.8303 4.1033 4.1033 4.7128 4.7128 4.8994 4.8994 4.9414 4.9414 4.9644 4.9644 5.1231 5.1231 5.3460 5.3460 5.4342 5.4342 5.8016 5.8016 10.3532 10.3532 10.8218 10.8218 11.2545 11.2545 11.7253 11.7253 12.0736 12.0736 12.2028 12.2028 12.9025 12.9025 k = 0.0000 0.3695 0.4312 ( 6345 PWs) bands (ev): -18.9829 -18.9829 -18.9653 -18.9653 -14.2756 -14.2756 -14.1533 -14.1533 -11.4480 -11.4480 -11.4190 -11.4190 -11.3897 -11.3897 -11.3437 -11.3437 -5.7251 -5.7251 -5.7052 -5.7052 -4.4199 -4.4199 -4.3449 -4.3449 -3.7160 -3.7160 -3.6822 -3.6822 -3.3037 -3.3037 -2.9677 -2.9677 0.8194 0.8194 1.0553 1.0553 1.2358 1.2358 1.3467 1.3467 1.4301 1.4301 1.8187 1.8187 3.5727 3.5727 3.7329 3.7329 3.8402 3.8402 4.1156 4.1156 4.7237 4.7237 4.8909 4.8909 4.9374 4.9374 4.9672 4.9672 5.1199 5.1199 5.3597 5.3597 5.4431 5.4431 5.8097 5.8097 10.3361 10.3361 10.8019 10.8019 11.2007 11.2007 11.6898 11.6898 12.0516 12.0516 12.1789 12.1789 12.8688 12.8688 k = 0.0000 0.3871 0.4312 ( 6334 PWs) bands (ev): -18.9809 -18.9809 -18.9652 -18.9652 -14.2746 -14.2746 -14.1524 -14.1524 -11.4519 -11.4519 -11.4177 -11.4177 -11.3911 -11.3911 -11.3474 -11.3474 -5.7317 -5.7317 -5.7100 -5.7100 -4.4360 -4.4360 -4.3638 -4.3638 -3.7185 -3.7185 -3.6876 -3.6876 -3.2958 -3.2958 -2.9570 -2.9570 0.8408 0.8408 1.0584 1.0584 1.2524 1.2524 1.3701 1.3701 1.4625 1.4625 1.8224 1.8224 3.5653 3.5653 3.7237 3.7237 3.8486 3.8486 4.1284 4.1284 4.7351 4.7351 4.8797 4.8797 4.9319 4.9319 4.9720 4.9720 5.1170 5.1170 5.3734 5.3734 5.4510 5.4510 5.8182 5.8182 10.3189 10.3189 10.7828 10.7828 11.1459 11.1459 11.6448 11.6448 12.0416 12.0416 12.1581 12.1581 12.8357 12.8357 k = 0.0000 0.4047 0.4312 ( 6337 PWs) bands (ev): -18.9789 -18.9789 -18.9651 -18.9651 -14.2737 -14.2737 -14.1515 -14.1515 -11.4565 -11.4565 -11.4154 -11.4154 -11.3925 -11.3925 -11.3510 -11.3510 -5.7384 -5.7384 -5.7142 -5.7142 -4.4511 -4.4511 -4.3814 -4.3814 -3.7209 -3.7209 -3.6926 -3.6926 -3.2881 -3.2881 -2.9472 -2.9472 0.8611 0.8611 1.0611 1.0611 1.2665 1.2665 1.3938 1.3938 1.4935 1.4935 1.8257 1.8257 3.5587 3.5587 3.7176 3.7176 3.8557 3.8557 4.1415 4.1415 4.7467 4.7467 4.8662 4.8662 4.9268 4.9268 4.9765 4.9765 5.1146 5.1146 5.3871 5.3871 5.4577 5.4577 5.8270 5.8270 10.3018 10.3018 10.7644 10.7644 11.0914 11.0914 11.5934 11.5934 12.0407 12.0407 12.1410 12.1410 12.8033 12.8033 k = 0.0000 0.4223 0.4312 ( 6331 PWs) bands (ev): -18.9769 -18.9769 -18.9652 -18.9652 -14.2726 -14.2726 -14.1507 -14.1507 -11.4614 -11.4614 -11.4126 -11.4126 -11.3941 -11.3941 -11.3546 -11.3546 -5.7450 -5.7450 -5.7179 -5.7179 -4.4653 -4.4653 -4.3976 -4.3976 -3.7231 -3.7231 -3.6974 -3.6974 -3.2806 -3.2806 -2.9384 -2.9384 0.8800 0.8800 1.0636 1.0636 1.2789 1.2789 1.4170 1.4170 1.5227 1.5227 1.8285 1.8285 3.5531 3.5531 3.7144 3.7144 3.8618 3.8618 4.1546 4.1546 4.7582 4.7582 4.8509 4.8509 4.9228 4.9228 4.9800 4.9800 5.1128 5.1128 5.4009 5.4009 5.4632 5.4632 5.8360 5.8360 10.2849 10.2849 10.7468 10.7468 11.0384 11.0384 11.5392 11.5392 12.0446 12.0446 12.1286 12.1286 12.7717 12.7717 k = 0.0000 0.4399 0.4312 ( 6334 PWs) bands (ev): -18.9749 -18.9749 -18.9653 -18.9653 -14.2716 -14.2716 -14.1499 -14.1499 -11.4662 -11.4662 -11.4096 -11.4096 -11.3958 -11.3958 -11.3580 -11.3580 -5.7515 -5.7515 -5.7212 -5.7212 -4.4785 -4.4785 -4.4122 -4.4122 -3.7253 -3.7253 -3.7016 -3.7016 -3.2735 -3.2735 -2.9308 -2.9308 0.8973 0.8973 1.0657 1.0657 1.2900 1.2900 1.4390 1.4390 1.5501 1.5501 1.8308 1.8308 3.5486 3.5486 3.7138 3.7138 3.8669 3.8669 4.1674 4.1674 4.7692 4.7692 4.8343 4.8343 4.9197 4.9197 4.9822 4.9822 5.1119 5.1119 5.4145 5.4145 5.4674 5.4674 5.8451 5.8451 10.2682 10.2682 10.7298 10.7298 10.9880 10.9880 11.4852 11.4852 12.0492 12.0492 12.1222 12.1222 12.7411 12.7411 k = 0.0000 0.4575 0.4312 ( 6333 PWs) bands (ev): -18.9730 -18.9730 -18.9656 -18.9656 -14.2705 -14.2705 -14.1492 -14.1492 -11.4709 -11.4709 -11.4066 -11.4066 -11.3974 -11.3974 -11.3612 -11.3612 -5.7576 -5.7576 -5.7240 -5.7240 -4.4906 -4.4906 -4.4252 -4.4252 -3.7276 -3.7276 -3.7053 -3.7053 -3.2667 -3.2667 -2.9242 -2.9242 0.9127 0.9127 1.0678 1.0678 1.3001 1.3001 1.4593 1.4593 1.5756 1.5756 1.8327 1.8327 3.5451 3.5451 3.7157 3.7157 3.8714 3.8714 4.1795 4.1795 4.7792 4.7792 4.8168 4.8168 4.9176 4.9176 4.9829 4.9829 5.1121 5.1121 5.4278 5.4278 5.4701 5.4701 5.8541 5.8541 10.2520 10.2520 10.7136 10.7136 10.9411 10.9411 11.4339 11.4339 12.0514 12.0514 12.1226 12.1226 12.7115 12.7115 k = 0.0000 0.4751 0.4312 ( 6346 PWs) bands (ev): -18.9712 -18.9712 -18.9659 -18.9659 -14.2695 -14.2695 -14.1486 -14.1486 -11.4753 -11.4753 -11.4041 -11.4041 -11.3985 -11.3985 -11.3643 -11.3643 -5.7634 -5.7634 -5.7262 -5.7262 -4.5016 -4.5016 -4.4366 -4.4366 -3.7300 -3.7300 -3.7083 -3.7083 -3.2602 -3.2602 -2.9187 -2.9187 0.9259 0.9259 1.0697 1.0697 1.3095 1.3095 1.4774 1.4774 1.5991 1.5991 1.8340 1.8340 3.5428 3.5428 3.7196 3.7196 3.8755 3.8755 4.1908 4.1908 4.7861 4.7861 4.8005 4.8005 4.9166 4.9166 4.9820 4.9820 5.1136 5.1136 5.4408 5.4408 5.4715 5.4715 5.8629 5.8629 10.2364 10.2364 10.6984 10.6984 10.8981 10.8981 11.3871 11.3871 12.0509 12.0509 12.1287 12.1287 12.6833 12.6833 k = 0.0000 0.4927 0.4312 ( 6349 PWs) bands (ev): -18.9695 -18.9695 -18.9662 -18.9662 -14.2684 -14.2684 -14.1480 -14.1480 -11.4794 -11.4794 -11.4038 -11.4038 -11.3974 -11.3974 -11.3673 -11.3673 -5.7686 -5.7686 -5.7280 -5.7280 -4.5113 -4.5113 -4.4463 -4.4463 -3.7327 -3.7327 -3.7104 -3.7104 -3.2541 -3.2541 -2.9145 -2.9145 0.9366 0.9366 1.0717 1.0717 1.3183 1.3183 1.4931 1.4931 1.6206 1.6206 1.8347 1.8347 3.5415 3.5415 3.7254 3.7254 3.8793 3.8793 4.2010 4.2010 4.7763 4.7763 4.7985 4.7985 4.9169 4.9169 4.9796 4.9796 5.1164 5.1164 5.4530 5.4530 5.4714 5.4714 5.8711 5.8711 10.2213 10.2213 10.6845 10.6845 10.8595 10.8595 11.3461 11.3461 12.0495 12.0495 12.1372 12.1372 12.6567 12.6567 k = 0.0000 0.5103 0.4312 ( 6353 PWs) bands (ev): -18.9683 -18.9683 -18.9662 -18.9662 -14.2672 -14.2672 -14.1476 -14.1476 -11.4831 -11.4831 -11.4053 -11.4053 -11.3947 -11.3947 -11.3701 -11.3701 -5.7733 -5.7733 -5.7292 -5.7292 -4.5199 -4.5199 -4.4542 -4.4542 -3.7356 -3.7356 -3.7117 -3.7117 -3.2485 -3.2485 -2.9114 -2.9114 0.9448 0.9448 1.0736 1.0736 1.3265 1.3265 1.5062 1.5062 1.6403 1.6403 1.8348 1.8348 3.5411 3.5411 3.7327 3.7327 3.8831 3.8831 4.2099 4.2099 4.7580 4.7580 4.8026 4.8026 4.9186 4.9186 4.9758 4.9758 5.1208 5.1208 5.4637 5.4637 5.4707 5.4707 5.8787 5.8787 10.2070 10.2070 10.6724 10.6724 10.8256 10.8256 11.3120 11.3120 12.0487 12.0487 12.1457 12.1457 12.6319 12.6319 k = 0.0000 0.5279 0.4312 ( 6355 PWs) bands (ev): -18.9684 -18.9684 -18.9653 -18.9653 -14.2661 -14.2661 -14.1472 -14.1472 -11.4864 -11.4864 -11.4074 -11.4074 -11.3915 -11.3915 -11.3727 -11.3727 -5.7774 -5.7774 -5.7298 -5.7298 -4.5272 -4.5272 -4.4604 -4.4604 -3.7387 -3.7387 -3.7122 -3.7122 -3.2434 -3.2434 -2.9096 -2.9096 0.9504 0.9504 1.0755 1.0755 1.3341 1.3341 1.5166 1.5166 1.6582 1.6582 1.8342 1.8342 3.5416 3.5416 3.7413 3.7413 3.8870 3.8870 4.2173 4.2173 4.7391 4.7391 4.8045 4.8045 4.9220 4.9220 4.9707 4.9707 5.1266 5.1266 5.4651 5.4651 5.4768 5.4768 5.8854 5.8854 10.1936 10.1936 10.6628 10.6628 10.7965 10.7965 11.2852 11.2852 12.0493 12.0493 12.1521 12.1521 12.6094 12.6094 k = 0.0000 0.5279 0.4312 ( 6355 PWs) bands (ev): -18.9684 -18.9684 -18.9653 -18.9653 -14.2661 -14.2661 -14.1472 -14.1472 -11.4864 -11.4864 -11.4074 -11.4074 -11.3915 -11.3915 -11.3727 -11.3727 -5.7774 -5.7774 -5.7298 -5.7298 -4.5272 -4.5272 -4.4604 -4.4604 -3.7387 -3.7387 -3.7122 -3.7122 -3.2434 -3.2434 -2.9096 -2.9096 0.9504 0.9504 1.0755 1.0755 1.3341 1.3341 1.5166 1.5166 1.6582 1.6582 1.8342 1.8342 3.5416 3.5416 3.7413 3.7413 3.8870 3.8870 4.2173 4.2173 4.7391 4.7391 4.8045 4.8045 4.9220 4.9220 4.9707 4.9707 5.1266 5.1266 5.4651 5.4651 5.4768 5.4768 5.8854 5.8854 10.1936 10.1936 10.6628 10.6628 10.7965 10.7965 11.2852 11.2852 12.0493 12.0493 12.1521 12.1521 12.6094 12.6094 k = 0.0000 0.5342 0.4156 ( 6358 PWs) bands (ev): -18.9690 -18.9690 -18.9645 -18.9645 -14.2652 -14.2652 -14.1458 -14.1458 -11.4903 -11.4903 -11.4090 -11.4090 -11.3900 -11.3900 -11.3747 -11.3747 -5.7735 -5.7735 -5.7280 -5.7280 -4.5223 -4.5223 -4.4566 -4.4566 -3.7357 -3.7357 -3.7082 -3.7082 -3.2570 -3.2570 -2.9258 -2.9258 0.9512 0.9512 1.0789 1.0789 1.3330 1.3330 1.5173 1.5173 1.6743 1.6743 1.8411 1.8411 3.5456 3.5456 3.7345 3.7345 3.8920 3.8920 4.2254 4.2254 4.7285 4.7285 4.8019 4.8019 4.9197 4.9197 4.9577 4.9577 5.1351 5.1351 5.4568 5.4568 5.4763 5.4763 5.9039 5.9039 10.1898 10.1898 10.6562 10.6562 10.7842 10.7842 11.2894 11.2894 12.0132 12.0132 12.1451 12.1451 12.5798 12.5798 k = 0.0000 0.5405 0.4001 ( 6357 PWs) bands (ev): -18.9696 -18.9696 -18.9637 -18.9637 -14.2642 -14.2642 -14.1444 -14.1444 -11.4941 -11.4941 -11.4107 -11.4107 -11.3885 -11.3885 -11.3766 -11.3766 -5.7696 -5.7696 -5.7261 -5.7261 -4.5172 -4.5172 -4.4530 -4.4530 -3.7324 -3.7324 -3.7040 -3.7040 -3.2702 -3.2702 -2.9422 -2.9422 0.9517 0.9517 1.0822 1.0822 1.3319 1.3319 1.5173 1.5173 1.6911 1.6911 1.8472 1.8472 3.5494 3.5494 3.7283 3.7283 3.8971 3.8971 4.2331 4.2331 4.7188 4.7188 4.7988 4.7988 4.9173 4.9173 4.9444 4.9444 5.1450 5.1450 5.4471 5.4471 5.4760 5.4760 5.9216 5.9216 10.1859 10.1859 10.6510 10.6510 10.7720 10.7720 11.2944 11.2944 11.9782 11.9782 12.1394 12.1394 12.5514 12.5514 k = 0.0000 0.5468 0.3846 ( 6358 PWs) bands (ev): -18.9701 -18.9701 -18.9630 -18.9630 -14.2633 -14.2633 -14.1432 -14.1432 -11.4978 -11.4978 -11.4124 -11.4124 -11.3872 -11.3872 -11.3784 -11.3784 -5.7658 -5.7658 -5.7244 -5.7244 -4.5118 -4.5118 -4.4496 -4.4496 -3.7289 -3.7289 -3.6999 -3.6999 -3.2828 -3.2828 -2.9586 -2.9586 0.9520 0.9520 1.0853 1.0853 1.3309 1.3309 1.5169 1.5169 1.7081 1.7081 1.8522 1.8522 3.5527 3.5527 3.7228 3.7228 3.9021 3.9021 4.2403 4.2403 4.7103 4.7103 4.7953 4.7953 4.9134 4.9134 4.9324 4.9324 5.1562 5.1562 5.4362 5.4362 5.4758 5.4758 5.9384 5.9384 10.1820 10.1820 10.6469 10.6469 10.7600 10.7600 11.2999 11.2999 11.9456 11.9456 12.1341 12.1341 12.5246 12.5246 k = 0.0000 0.5531 0.3691 ( 6364 PWs) bands (ev): -18.9706 -18.9706 -18.9623 -18.9623 -14.2624 -14.2624 -14.1420 -14.1420 -11.5012 -11.5012 -11.4139 -11.4139 -11.3862 -11.3862 -11.3798 -11.3798 -5.7621 -5.7621 -5.7228 -5.7228 -4.5065 -4.5065 -4.4466 -4.4466 -3.7251 -3.7251 -3.6961 -3.6961 -3.2945 -3.2945 -2.9747 -2.9747 0.9521 0.9521 1.0882 1.0882 1.3299 1.3299 1.5162 1.5162 1.7251 1.7251 1.8561 1.8561 3.5557 3.5557 3.7179 3.7179 3.9070 3.9070 4.2470 4.2470 4.7034 4.7034 4.7917 4.7917 4.9051 4.9051 4.9249 4.9249 5.1687 5.1687 5.4241 5.4241 5.4756 5.4756 5.9539 5.9539 10.1781 10.1781 10.6441 10.6441 10.7483 10.7483 11.3059 11.3059 11.9159 11.9159 12.1289 12.1289 12.4996 12.4996 k = 0.0000 0.5594 0.3535 ( 6360 PWs) bands (ev): -18.9711 -18.9711 -18.9617 -18.9617 -14.2615 -14.2615 -14.1409 -14.1409 -11.5043 -11.5043 -11.4153 -11.4153 -11.3859 -11.3859 -11.3806 -11.3806 -5.7587 -5.7587 -5.7213 -5.7213 -4.5011 -4.5011 -4.4440 -4.4440 -3.7210 -3.7210 -3.6926 -3.6926 -3.3051 -3.3051 -2.9903 -2.9903 0.9520 0.9520 1.0909 1.0909 1.3290 1.3290 1.5153 1.5153 1.7418 1.7418 1.8588 1.8588 3.5582 3.5582 3.7136 3.7136 3.9115 3.9115 4.2530 4.2530 4.6981 4.6981 4.7881 4.7881 4.8926 4.8926 4.9218 4.9218 5.1822 5.1822 5.4110 5.4110 5.4754 5.4754 5.9679 5.9679 10.1745 10.1745 10.6426 10.6426 10.7369 10.7369 11.3119 11.3119 11.8893 11.8893 12.1240 12.1240 12.4767 12.4767 k = 0.0000 0.5657 0.3380 ( 6365 PWs) bands (ev): -18.9715 -18.9715 -18.9612 -18.9612 -14.2607 -14.2607 -14.1400 -14.1400 -11.5071 -11.5071 -11.4166 -11.4166 -11.3863 -11.3863 -11.3806 -11.3806 -5.7555 -5.7555 -5.7201 -5.7201 -4.4959 -4.4959 -4.4418 -4.4418 -3.7168 -3.7168 -3.6897 -3.6897 -3.3145 -3.3145 -3.0048 -3.0048 0.9519 0.9519 1.0933 1.0933 1.3282 1.3282 1.5143 1.5143 1.7579 1.7579 1.8602 1.8602 3.5603 3.5603 3.7099 3.7099 3.9157 3.9157 4.2583 4.2583 4.6943 4.6943 4.7847 4.7847 4.8789 4.8789 4.9205 4.9205 5.1967 5.1967 5.3970 5.3970 5.4752 5.4752 5.9805 5.9805 10.1710 10.1710 10.6422 10.6422 10.7259 10.7259 11.3178 11.3178 11.8660 11.8660 12.1192 12.1192 12.4564 12.4564 k = 0.0000 0.5720 0.3225 ( 6363 PWs) bands (ev): -18.9719 -18.9719 -18.9608 -18.9608 -14.2600 -14.2600 -14.1391 -14.1391 -11.5096 -11.5096 -11.4177 -11.4177 -11.3871 -11.3871 -11.3802 -11.3802 -5.7527 -5.7527 -5.7190 -5.7190 -4.4911 -4.4911 -4.4402 -4.4402 -3.7124 -3.7124 -3.6876 -3.6876 -3.3224 -3.3224 -3.0181 -3.0181 0.9516 0.9516 1.0954 1.0954 1.3275 1.3275 1.5133 1.5133 1.7733 1.7733 1.8602 1.8602 3.5620 3.5620 3.7067 3.7067 3.9193 3.9193 4.2629 4.2629 4.6920 4.6920 4.7817 4.7817 4.8656 4.8656 4.9198 4.9198 5.2120 5.2120 5.3821 5.3821 5.4750 5.4750 5.9913 5.9913 10.1680 10.1680 10.6429 10.6429 10.7154 10.7154 11.3234 11.3234 11.8462 11.8462 12.1148 12.1148 12.4387 12.4387 k = 0.0000 0.5783 0.3069 ( 6364 PWs) bands (ev): -18.9721 -18.9721 -18.9604 -18.9604 -14.2594 -14.2594 -14.1384 -14.1384 -11.5116 -11.5116 -11.4186 -11.4186 -11.3879 -11.3879 -11.3796 -11.3796 -5.7502 -5.7502 -5.7182 -5.7182 -4.4867 -4.4867 -4.4390 -4.4390 -3.7081 -3.7081 -3.6863 -3.6863 -3.3289 -3.3289 -3.0296 -3.0296 0.9514 0.9514 1.0972 1.0972 1.3269 1.3269 1.5123 1.5123 1.7876 1.7876 1.8589 1.8589 3.5633 3.5633 3.7040 3.7040 3.9225 3.9225 4.2667 4.2667 4.6910 4.6910 4.7790 4.7790 4.8535 4.8535 4.9194 4.9194 5.2280 5.2280 5.3666 5.3666 5.4749 5.4749 6.0002 6.0002 10.1653 10.1653 10.6447 10.6447 10.7056 10.7056 11.3283 11.3283 11.8299 11.8299 12.1109 12.1109 12.4240 12.4240 k = 0.0000 0.5846 0.2914 ( 6367 PWs) bands (ev): -18.9724 -18.9724 -18.9602 -18.9602 -14.2589 -14.2589 -14.1379 -14.1379 -11.5132 -11.5132 -11.4194 -11.4194 -11.3887 -11.3887 -11.3791 -11.3791 -5.7483 -5.7483 -5.7176 -5.7176 -4.4830 -4.4830 -4.4383 -4.4383 -3.7038 -3.7038 -3.6859 -3.6859 -3.3338 -3.3338 -3.0391 -3.0391 0.9512 0.9512 1.0986 1.0986 1.3265 1.3265 1.5115 1.5115 1.8007 1.8007 1.8563 1.8563 3.5643 3.5643 3.7019 3.7019 3.9250 3.9250 4.2697 4.2697 4.6910 4.6910 4.7769 4.7769 4.8431 4.8431 4.9191 4.9191 5.2444 5.2444 5.3506 5.3506 5.4748 5.4748 6.0073 6.0073 10.1632 10.1632 10.6473 10.6473 10.6967 10.6967 11.3324 11.3324 11.8172 11.8172 12.1077 12.1077 12.4124 12.4124 k = 0.0000 0.5909 0.2759 ( 6376 PWs) bands (ev): -18.9725 -18.9725 -18.9600 -18.9600 -14.2585 -14.2585 -14.1375 -14.1375 -11.5144 -11.5144 -11.4199 -11.4199 -11.3892 -11.3892 -11.3788 -11.3788 -5.7468 -5.7468 -5.7171 -5.7171 -4.4802 -4.4802 -4.4379 -4.4379 -3.7000 -3.7000 -3.6865 -3.6865 -3.3372 -3.3372 -3.0462 -3.0462 0.9510 0.9510 1.0997 1.0997 1.3261 1.3261 1.5109 1.5109 1.8120 1.8120 1.8525 1.8525 3.5650 3.5650 3.7004 3.7004 3.9268 3.9268 4.2719 4.2719 4.6915 4.6915 4.7753 4.7753 4.8351 4.8351 4.9190 4.9190 5.2608 5.2608 5.3344 5.3344 5.4747 5.4747 6.0124 6.0124 10.1616 10.1616 10.6504 10.6504 10.6891 10.6891 11.3354 11.3354 11.8081 11.8081 12.1052 12.1052 12.4040 12.4040 k = 0.0000 0.5972 0.2604 ( 6374 PWs) bands (ev): -18.9726 -18.9726 -18.9599 -18.9599 -14.2583 -14.2583 -14.1372 -14.1372 -11.5151 -11.5151 -11.4202 -11.4202 -11.3896 -11.3896 -11.3785 -11.3785 -5.7459 -5.7459 -5.7169 -5.7169 -4.4784 -4.4784 -4.4377 -4.4377 -3.6968 -3.6968 -3.6876 -3.6876 -3.3393 -3.3393 -3.0506 -3.0506 0.9509 0.9509 1.1003 1.1003 1.3259 1.3259 1.5105 1.5105 1.8209 1.8209 1.8482 1.8482 3.5654 3.5654 3.6994 3.6994 3.9279 3.9279 4.2732 4.2732 4.6920 4.6920 4.7743 4.7743 4.8301 4.8301 4.9189 4.9189 5.2765 5.2765 5.3189 5.3189 5.4746 5.4746 6.0155 6.0155 10.1606 10.1606 10.6533 10.6533 10.6835 10.6835 11.3373 11.3373 11.8027 11.8027 12.1037 12.1037 12.3989 12.3989 k = 0.0000 0.6035 0.2448 ( 6366 PWs) bands (ev): -18.9727 -18.9727 -18.9598 -18.9598 -14.2582 -14.2582 -14.1372 -14.1372 -11.5154 -11.5154 -11.4203 -11.4203 -11.3897 -11.3897 -11.3784 -11.3784 -5.7456 -5.7456 -5.7168 -5.7168 -4.4778 -4.4778 -4.4376 -4.4376 -3.6954 -3.6954 -3.6883 -3.6883 -3.3400 -3.3400 -3.0520 -3.0520 0.9509 0.9509 1.1005 1.1005 1.3259 1.3259 1.5104 1.5104 1.8247 1.8247 1.8460 1.8460 3.5656 3.5656 3.6991 3.6991 3.9283 3.9283 4.2736 4.2736 4.6922 4.6922 4.7740 4.7740 4.8283 4.8283 4.9189 4.9189 5.2856 5.2856 5.3098 5.3098 5.4746 5.4746 6.0165 6.0165 10.1603 10.1603 10.6546 10.6546 10.6813 10.6813 11.3380 11.3380 11.8008 11.8008 12.1032 12.1032 12.3972 12.3972 k = 0.0000 0.6035 0.2448 ( 6366 PWs) bands (ev): -18.9727 -18.9727 -18.9598 -18.9598 -14.2582 -14.2582 -14.1372 -14.1372 -11.5154 -11.5154 -11.4203 -11.4203 -11.3897 -11.3897 -11.3784 -11.3784 -5.7456 -5.7456 -5.7168 -5.7168 -4.4778 -4.4778 -4.4376 -4.4376 -3.6954 -3.6954 -3.6883 -3.6883 -3.3400 -3.3400 -3.0520 -3.0520 0.9509 0.9509 1.1005 1.1005 1.3259 1.3259 1.5104 1.5104 1.8247 1.8247 1.8460 1.8460 3.5656 3.5656 3.6991 3.6991 3.9283 3.9283 4.2736 4.2736 4.6922 4.6922 4.7740 4.7740 4.8283 4.8283 4.9189 4.9189 5.2856 5.2856 5.3098 5.3098 5.4746 5.4746 6.0165 6.0165 10.1603 10.1603 10.6546 10.6546 10.6813 10.6813 11.3380 11.3380 11.8008 11.8008 12.1032 12.1032 12.3972 12.3972 k = 0.0179 0.6035 0.2448 ( 6368 PWs) bands (ev): -18.9726 -18.9726 -18.9598 -18.9598 -14.2580 -14.2580 -14.1371 -14.1371 -11.5155 -11.5155 -11.4205 -11.4205 -11.3905 -11.3905 -11.3782 -11.3782 -5.7453 -5.7453 -5.7161 -5.7161 -4.4778 -4.4778 -4.4360 -4.4360 -3.6960 -3.6960 -3.6876 -3.6876 -3.3404 -3.3404 -3.0530 -3.0530 0.9505 0.9505 1.0996 1.0996 1.3254 1.3254 1.5105 1.5105 1.8249 1.8249 1.8468 1.8468 3.5654 3.5654 3.6996 3.6996 3.9286 3.9286 4.2713 4.2713 4.6906 4.6906 4.7762 4.7762 4.8279 4.8279 4.9184 4.9184 5.2853 5.2853 5.3093 5.3093 5.4760 5.4760 6.0168 6.0168 10.1584 10.1584 10.6547 10.6547 10.6843 10.6843 11.3365 11.3365 11.8024 11.8024 12.1040 12.1040 12.3972 12.3972 k = 0.0357 0.6035 0.2448 ( 6368 PWs) bands (ev): -18.9726 -18.9726 -18.9598 -18.9598 -14.2574 -14.2574 -14.1371 -14.1371 -11.5159 -11.5159 -11.4209 -11.4209 -11.3928 -11.3928 -11.3776 -11.3776 -5.7444 -5.7444 -5.7141 -5.7141 -4.4777 -4.4777 -4.4312 -4.4312 -3.6973 -3.6973 -3.6859 -3.6859 -3.3416 -3.3416 -3.0559 -3.0559 0.9496 0.9496 1.0969 1.0969 1.3240 1.3240 1.5108 1.5108 1.8256 1.8256 1.8492 1.8492 3.5651 3.5651 3.7011 3.7011 3.9294 3.9294 4.2643 4.2643 4.6863 4.6863 4.7821 4.7821 4.8268 4.8268 4.9170 4.9170 5.2845 5.2845 5.3076 5.3076 5.4802 5.4802 6.0176 6.0176 10.1528 10.1528 10.6550 10.6550 10.6929 10.6929 11.3322 11.3322 11.8070 11.8070 12.1063 12.1063 12.3974 12.3974 k = 0.0536 0.6035 0.2448 ( 6366 PWs) bands (ev): -18.9725 -18.9725 -18.9598 -18.9598 -14.2564 -14.2564 -14.1369 -14.1369 -11.5166 -11.5166 -11.4216 -11.4216 -11.3961 -11.3961 -11.3771 -11.3771 -5.7428 -5.7428 -5.7108 -5.7108 -4.4770 -4.4770 -4.4238 -4.4238 -3.6988 -3.6988 -3.6838 -3.6838 -3.3437 -3.3437 -3.0607 -3.0607 0.9479 0.9479 1.0926 1.0926 1.3216 1.3216 1.5114 1.5114 1.8268 1.8268 1.8530 1.8530 3.5644 3.5644 3.7035 3.7035 3.9309 3.9309 4.2529 4.2529 4.6804 4.6804 4.7906 4.7906 4.8249 4.8249 4.9147 4.9147 5.2832 5.2832 5.3049 5.3049 5.4871 5.4871 6.0189 6.0189 10.1439 10.1439 10.6561 10.6561 10.7063 10.7063 11.3258 11.3258 11.8142 11.8142 12.1100 12.1100 12.3978 12.3978 k = 0.0714 0.6035 0.2448 ( 6362 PWs) bands (ev): -18.9724 -18.9724 -18.9599 -18.9599 -14.2550 -14.2550 -14.1368 -14.1368 -11.5175 -11.5175 -11.4226 -11.4226 -11.4002 -11.4002 -11.3769 -11.3769 -5.7404 -5.7404 -5.7063 -5.7063 -4.4752 -4.4752 -4.4141 -4.4141 -3.7003 -3.7003 -3.6814 -3.6814 -3.3466 -3.3466 -3.0673 -3.0673 0.9453 0.9453 1.0869 1.0869 1.3184 1.3184 1.5122 1.5122 1.8285 1.8285 1.8582 1.8582 3.5635 3.5635 3.7068 3.7068 3.9329 3.9329 4.2374 4.2374 4.6739 4.6739 4.8004 4.8004 4.8225 4.8225 4.9114 4.9114 5.2814 5.2814 5.3012 5.3012 5.4965 5.4965 6.0207 6.0207 10.1323 10.1323 10.6576 10.6576 10.7236 10.7236 11.3179 11.3179 11.8233 11.8233 12.1149 12.1149 12.3986 12.3986 k = 0.0893 0.6035 0.2448 ( 6364 PWs) bands (ev): -18.9722 -18.9722 -18.9599 -18.9599 -14.2532 -14.2532 -14.1366 -14.1366 -11.5187 -11.5187 -11.4238 -11.4238 -11.4050 -11.4050 -11.3770 -11.3770 -5.7373 -5.7373 -5.7009 -5.7009 -4.4722 -4.4722 -4.4025 -4.4025 -3.7018 -3.7018 -3.6789 -3.6789 -3.3503 -3.3503 -3.0759 -3.0759 0.9418 0.9418 1.0802 1.0802 1.3144 1.3144 1.5131 1.5131 1.8308 1.8308 1.8645 1.8645 3.5622 3.5622 3.7110 3.7110 3.9355 3.9355 4.2182 4.2182 4.6672 4.6672 4.8097 4.8097 4.8207 4.8207 4.9073 4.9073 5.2792 5.2792 5.2966 5.2966 5.5084 5.5084 6.0229 6.0229 10.1187 10.1187 10.6592 10.6592 10.7442 10.7442 11.3098 11.3098 11.8335 11.8335 12.1206 12.1206 12.4000 12.4000 k = 0.1071 0.6035 0.2448 ( 6364 PWs) bands (ev): -18.9720 -18.9720 -18.9599 -18.9599 -14.2511 -14.2511 -14.1364 -14.1364 -11.5202 -11.5202 -11.4253 -11.4253 -11.4103 -11.4103 -11.3774 -11.3774 -5.7335 -5.7335 -5.6946 -5.6946 -4.4678 -4.4678 -4.3891 -4.3891 -3.7031 -3.7031 -3.6764 -3.6764 -3.3549 -3.3549 -3.0862 -3.0862 0.9373 0.9373 1.0728 1.0728 1.3097 1.3097 1.5141 1.5141 1.8337 1.8337 1.8717 1.8717 3.5605 3.5605 3.7160 3.7160 3.9386 3.9386 4.1958 4.1958 4.6607 4.6607 4.8120 4.8120 4.8252 4.8252 4.9023 4.9023 5.2767 5.2767 5.2912 5.2912 5.5225 5.5225 6.0254 6.0254 10.1039 10.1039 10.6602 10.6602 10.7677 10.7677 11.3023 11.3023 11.8443 11.8443 12.1269 12.1269 12.4023 12.4023 k = 0.1250 0.6035 0.2448 ( 6364 PWs) bands (ev): -18.9718 -18.9718 -18.9600 -18.9600 -14.2486 -14.2486 -14.1362 -14.1362 -11.5219 -11.5219 -11.4270 -11.4270 -11.4160 -11.4160 -11.3783 -11.3783 -5.7289 -5.7289 -5.6875 -5.6875 -4.4617 -4.4617 -4.3742 -4.3742 -3.7042 -3.7042 -3.6737 -3.6737 -3.3604 -3.3604 -3.0984 -3.0984 0.9315 0.9315 1.0650 1.0650 1.3047 1.3047 1.5152 1.5152 1.8371 1.8371 1.8797 1.8797 3.5584 3.5584 3.7218 3.7218 3.9421 3.9421 4.1707 4.1707 4.6545 4.6545 4.8084 4.8084 4.8347 4.8347 4.8967 4.8967 5.2737 5.2737 5.2853 5.2853 5.5387 5.5387 6.0282 6.0282 10.0884 10.0884 10.6600 10.6600 10.7934 10.7934 11.2968 11.2968 11.8548 11.8548 12.1333 12.1333 12.4057 12.4057 k = 0.1429 0.6035 0.2448 ( 6368 PWs) bands (ev): -18.9716 -18.9716 -18.9600 -18.9600 -14.2458 -14.2458 -14.1360 -14.1360 -11.5239 -11.5239 -11.4292 -11.4292 -11.4218 -11.4218 -11.3795 -11.3795 -5.7235 -5.7235 -5.6799 -5.6799 -4.4540 -4.4540 -4.3579 -4.3579 -3.7052 -3.7052 -3.6711 -3.6711 -3.3668 -3.3668 -3.1123 -3.1123 0.9245 0.9245 1.0568 1.0568 1.2995 1.2995 1.5163 1.5163 1.8410 1.8410 1.8882 1.8882 3.5559 3.5559 3.7281 3.7281 3.9461 3.9461 4.1435 4.1435 4.6485 4.6485 4.8035 4.8035 4.8441 4.8441 4.8910 4.8910 5.2703 5.2703 5.2792 5.2792 5.5567 5.5567 6.0311 6.0311 10.0728 10.0728 10.6578 10.6578 10.8210 10.8210 11.2941 11.2941 11.8644 11.8644 12.1394 12.1394 12.4108 12.4108 k = 0.1607 0.6035 0.2448 ( 6372 PWs) bands (ev): -18.9713 -18.9713 -18.9601 -18.9601 -14.2426 -14.2426 -14.1358 -14.1358 -11.5262 -11.5262 -11.4328 -11.4328 -11.4268 -11.4268 -11.3810 -11.3810 -5.7175 -5.7175 -5.6719 -5.6719 -4.4446 -4.4446 -4.3403 -4.3403 -3.7060 -3.7060 -3.6685 -3.6685 -3.3740 -3.3740 -3.1278 -3.1278 0.9164 0.9164 1.0483 1.0483 1.2946 1.2946 1.5172 1.5172 1.8455 1.8455 1.8970 1.8970 3.5528 3.5528 3.7350 3.7350 3.9502 3.9502 4.1147 4.1147 4.6429 4.6429 4.7976 4.7976 4.8520 4.8520 4.8858 4.8858 5.2660 5.2660 5.2736 5.2736 5.5763 5.5763 6.0341 6.0341 10.0576 10.0576 10.6531 10.6531 10.8500 10.8500 11.2952 11.2952 11.8725 11.8725 12.1446 12.1446 12.4179 12.4179 k = 0.1786 0.6035 0.2448 ( 6354 PWs) bands (ev): -18.9710 -18.9710 -18.9601 -18.9601 -14.2392 -14.2392 -14.1356 -14.1356 -11.5287 -11.5287 -11.4387 -11.4387 -11.4298 -11.4298 -11.3828 -11.3828 -5.7109 -5.7109 -5.6636 -5.6636 -4.4334 -4.4334 -4.3216 -4.3216 -3.7067 -3.7067 -3.6658 -3.6658 -3.3821 -3.3821 -3.1450 -3.1450 0.9073 0.9073 1.0394 1.0394 1.2903 1.2903 1.5180 1.5180 1.8504 1.8504 1.9061 1.9061 3.5494 3.5494 3.7421 3.7421 3.9544 3.9544 4.0852 4.0852 4.6374 4.6374 4.7910 4.7910 4.8565 4.8565 4.8834 4.8834 5.2603 5.2603 5.2691 5.2691 5.5972 5.5972 6.0371 6.0371 10.0433 10.0433 10.6453 10.6453 10.8802 10.8802 11.3006 11.3006 11.8787 11.8787 12.1487 12.1487 12.4273 12.4273 k = 0.1964 0.6035 0.2448 ( 6360 PWs) bands (ev): -18.9707 -18.9707 -18.9602 -18.9602 -14.2355 -14.2355 -14.1356 -14.1356 -11.5314 -11.5314 -11.4458 -11.4458 -11.4318 -11.4318 -11.3848 -11.3848 -5.7038 -5.7038 -5.6552 -5.6552 -4.4206 -4.4206 -4.3017 -4.3017 -3.7072 -3.7072 -3.6632 -3.6632 -3.3911 -3.3911 -3.1637 -3.1637 0.8973 0.8973 1.0300 1.0300 1.2871 1.2871 1.5185 1.5185 1.8558 1.8558 1.9151 1.9151 3.5455 3.5455 3.7493 3.7493 3.9579 3.9579 4.0561 4.0561 4.6321 4.6321 4.7834 4.7834 4.8559 4.8559 4.8855 4.8855 5.2537 5.2537 5.2654 5.2654 5.6192 5.6192 6.0400 6.0400 10.0302 10.0302 10.6341 10.6341 10.9111 10.9111 11.3108 11.3108 11.8826 11.8826 12.1512 12.1512 12.4393 12.4393 k = 0.2143 0.6035 0.2448 ( 6352 PWs) bands (ev): -18.9703 -18.9703 -18.9603 -18.9603 -14.2316 -14.2316 -14.1356 -14.1356 -11.5342 -11.5342 -11.4534 -11.4534 -11.4335 -11.4335 -11.3871 -11.3871 -5.6962 -5.6962 -5.6467 -5.6467 -4.4061 -4.4061 -4.2810 -4.2810 -3.7076 -3.7076 -3.6606 -3.6606 -3.4010 -3.4010 -3.1839 -3.1839 0.8869 0.8869 1.0198 1.0198 1.2852 1.2852 1.5186 1.5186 1.8616 1.8616 1.9239 1.9239 3.5412 3.5412 3.7561 3.7561 3.9595 3.9595 4.0292 4.0292 4.6268 4.6268 4.7745 4.7745 4.8520 4.8520 4.8907 4.8907 5.2467 5.2467 5.2623 5.2623 5.6420 5.6420 6.0425 6.0425 10.0187 10.0187 10.6195 10.6195 10.9427 10.9427 11.3257 11.3257 11.8839 11.8839 12.1519 12.1519 12.4540 12.4540 k = 0.2321 0.6035 0.2448 ( 6352 PWs) bands (ev): -18.9700 -18.9700 -18.9604 -18.9604 -14.2274 -14.2274 -14.1357 -14.1357 -11.5372 -11.5372 -11.4613 -11.4613 -11.4349 -11.4349 -11.3896 -11.3896 -5.6883 -5.6883 -5.6384 -5.6384 -4.3900 -4.3900 -4.2594 -4.2594 -3.7078 -3.7078 -3.6580 -3.6580 -3.4117 -3.4117 -3.2054 -3.2054 0.8763 0.8763 1.0088 1.0088 1.2848 1.2848 1.5183 1.5183 1.8677 1.8677 1.9324 1.9324 3.5367 3.5367 3.7620 3.7620 3.9559 3.9559 4.0086 4.0086 4.6217 4.6217 4.7644 4.7644 4.8475 4.8475 4.8966 4.8966 5.2399 5.2399 5.2594 5.2594 5.6655 5.6655 6.0448 6.0448 10.0090 10.0090 10.6014 10.6014 10.9748 10.9748 11.3452 11.3452 11.8823 11.8823 12.1508 12.1508 12.4714 12.4714 k = 0.2500 0.6035 0.2448 ( 6350 PWs) bands (ev): -18.9696 -18.9696 -18.9605 -18.9605 -14.2231 -14.2231 -14.1359 -14.1359 -11.5403 -11.5403 -11.4693 -11.4693 -11.4362 -11.4362 -11.3922 -11.3922 -5.6801 -5.6801 -5.6303 -5.6303 -4.3723 -4.3723 -4.2373 -4.2373 -3.7079 -3.7079 -3.6555 -3.6555 -3.4231 -3.4231 -3.2281 -3.2281 0.8657 0.8657 0.9969 0.9969 1.2862 1.2862 1.5174 1.5174 1.8743 1.8743 1.9404 1.9404 3.5320 3.5320 3.7660 3.7660 3.9433 3.9433 3.9993 3.9993 4.6165 4.6165 4.7530 4.7530 4.8437 4.8437 4.9023 4.9023 5.2334 5.2334 5.2567 5.2567 5.6894 5.6894 6.0465 6.0465 10.0015 10.0015 10.5803 10.5803 11.0071 11.0071 11.3686 11.3686 11.8778 11.8778 12.1479 12.1479 12.4914 12.4914 k = 0.2679 0.6035 0.2448 ( 6354 PWs) bands (ev): -18.9692 -18.9692 -18.9606 -18.9606 -14.2186 -14.2186 -14.1362 -14.1362 -11.5433 -11.5433 -11.4774 -11.4774 -11.4372 -11.4372 -11.3949 -11.3949 -5.6717 -5.6717 -5.6225 -5.6225 -4.3532 -4.3532 -4.2147 -4.2147 -3.7078 -3.7078 -3.6529 -3.6529 -3.4353 -3.4353 -3.2520 -3.2520 0.8555 0.8555 0.9840 0.9840 1.2894 1.2894 1.5160 1.5160 1.8811 1.8811 1.9478 1.9478 3.5272 3.5272 3.7666 3.7666 3.9261 3.9261 3.9983 3.9983 4.6115 4.6115 4.7403 4.7403 4.8409 4.8409 4.9072 4.9072 5.2274 5.2274 5.2541 5.2541 5.7134 5.7134 6.0477 6.0477 9.9962 9.9962 10.5563 10.5563 11.0395 11.0395 11.3954 11.3954 11.8705 11.8705 12.1433 12.1433 12.5138 12.5138 k = 0.2857 0.6035 0.2448 ( 6340 PWs) bands (ev): -18.9688 -18.9688 -18.9608 -18.9608 -14.2140 -14.2140 -14.1367 -14.1367 -11.5464 -11.5464 -11.4854 -11.4854 -11.4381 -11.4381 -11.3978 -11.3978 -5.6632 -5.6632 -5.6153 -5.6153 -4.3327 -4.3327 -4.1920 -4.1920 -3.7076 -3.7076 -3.6504 -3.6504 -3.4480 -3.4480 -3.2768 -3.2768 0.8458 0.8458 0.9703 0.9703 1.2943 1.2943 1.5139 1.5139 1.8881 1.8881 1.9546 1.9546 3.5225 3.5225 3.7620 3.7620 3.9115 3.9115 4.0005 4.0005 4.6065 4.6065 4.7266 4.7266 4.8395 4.8395 4.9113 4.9113 5.2221 5.2221 5.2515 5.2515 5.7375 5.7375 6.0482 6.0482 9.9933 9.9933 10.5301 10.5301 11.0720 11.0720 11.4246 11.4246 11.8607 11.8607 12.1370 12.1370 12.5384 12.5384 k = 0.3036 0.6035 0.2448 ( 6340 PWs) bands (ev): -18.9684 -18.9684 -18.9609 -18.9609 -14.2093 -14.2093 -14.1374 -14.1374 -11.5493 -11.5493 -11.4933 -11.4933 -11.4387 -11.4387 -11.4007 -11.4007 -5.6547 -5.6547 -5.6086 -5.6086 -4.3111 -4.3111 -4.1694 -4.1694 -3.7073 -3.7073 -3.6478 -3.6478 -3.4612 -3.4612 -3.3025 -3.3025 0.8369 0.8369 0.9561 0.9561 1.3008 1.3008 1.5110 1.5110 1.8954 1.8954 1.9606 1.9606 3.5181 3.5181 3.7509 3.7509 3.9029 3.9029 4.0035 4.0035 4.6016 4.6016 4.7122 4.7122 4.8392 4.8392 4.9144 4.9144 5.2176 5.2176 5.2489 5.2489 5.7614 5.7614 6.0480 6.0480 9.9930 9.9930 10.5019 10.5019 11.1044 11.1044 11.4552 11.4552 11.8488 11.8488 12.1292 12.1292 12.5647 12.5647 k = 0.3214 0.6035 0.2448 ( 6340 PWs) bands (ev): -18.9679 -18.9679 -18.9611 -18.9611 -14.2045 -14.2045 -14.1383 -14.1383 -11.5520 -11.5520 -11.5011 -11.5011 -11.4390 -11.4390 -11.4036 -11.4036 -5.6464 -5.6464 -5.6025 -5.6025 -4.2885 -4.2885 -4.1473 -4.1473 -3.7066 -3.7066 -3.6452 -3.6452 -3.4748 -3.4748 -3.3289 -3.3289 0.8289 0.8289 0.9415 0.9415 1.3088 1.3088 1.5074 1.5074 1.9028 1.9028 1.9658 1.9658 3.5141 3.5141 3.7339 3.7339 3.9010 3.9010 4.0064 4.0064 4.5970 4.5970 4.6974 4.6974 4.8402 4.8402 4.9164 4.9164 5.2139 5.2139 5.2463 5.2463 5.7850 5.7850 6.0469 6.0469 9.9953 9.9953 10.4722 10.4722 11.1367 11.1367 11.4858 11.4858 11.8358 11.8358 12.1200 12.1200 12.5925 12.5925 k = 0.3393 0.6035 0.2448 ( 6338 PWs) bands (ev): -18.9675 -18.9675 -18.9613 -18.9613 -14.1997 -14.1997 -14.1395 -14.1395 -11.5545 -11.5545 -11.5086 -11.5086 -11.4391 -11.4391 -11.4066 -11.4066 -5.6383 -5.6383 -5.5971 -5.5971 -4.2651 -4.2651 -4.1262 -4.1262 -3.7055 -3.7055 -3.6425 -3.6425 -3.4884 -3.4884 -3.3558 -3.3558 0.8220 0.8220 0.9267 0.9267 1.3180 1.3180 1.5030 1.5030 1.9103 1.9103 1.9702 1.9702 3.5108 3.5108 3.7129 3.7129 3.9041 3.9041 4.0089 4.0089 4.5926 4.5926 4.6826 4.6826 4.8421 4.8421 4.9174 4.9174 5.2112 5.2112 5.2437 5.2437 5.8081 5.8081 6.0449 6.0449 10.0004 10.0004 10.4413 10.4413 11.1689 11.1689 11.5148 11.5148 11.8231 11.8231 12.1093 12.1093 12.6213 12.6213 k = 0.3571 0.6035 0.2448 ( 6336 PWs) bands (ev): -18.9671 -18.9671 -18.9615 -18.9615 -14.1950 -14.1950 -14.1408 -14.1408 -11.5566 -11.5566 -11.5158 -11.5158 -11.4390 -11.4390 -11.4095 -11.4095 -5.6304 -5.6304 -5.5925 -5.5925 -4.2411 -4.2411 -4.1065 -4.1065 -3.7038 -3.7038 -3.6398 -3.6398 -3.5020 -3.5020 -3.3830 -3.3830 0.8163 0.8163 0.9121 0.9121 1.3282 1.3282 1.4977 1.4977 1.9177 1.9177 1.9736 1.9736 3.5083 3.5083 3.6899 3.6899 3.9106 3.9106 4.0107 4.0107 4.5887 4.5887 4.6681 4.6681 4.8451 4.8451 4.9173 4.9173 5.2093 5.2093 5.2411 5.2411 5.8306 5.8306 6.0419 6.0419 10.0081 10.0081 10.4096 10.4096 11.2009 11.2009 11.5398 11.5398 11.8127 11.8127 12.0973 12.0973 12.6507 12.6507 k = 0.3750 0.6035 0.2448 ( 6324 PWs) bands (ev): -18.9667 -18.9667 -18.9617 -18.9617 -14.1902 -14.1902 -14.1424 -14.1424 -11.5584 -11.5584 -11.5226 -11.5226 -11.4386 -11.4386 -11.4124 -11.4124 -5.6229 -5.6229 -5.5887 -5.5887 -4.2169 -4.2169 -4.0889 -4.0889 -3.7012 -3.7012 -3.6369 -3.6369 -3.5152 -3.5152 -3.4103 -3.4103 0.8119 0.8119 0.8977 0.8977 1.3393 1.3393 1.4915 1.4915 1.9252 1.9252 1.9762 1.9762 3.5067 3.5067 3.6664 3.6664 3.9190 3.9190 4.0115 4.0115 4.5853 4.5853 4.6541 4.6541 4.8488 4.8488 4.9162 4.9162 5.2083 5.2083 5.2384 5.2384 5.8523 5.8523 6.0378 6.0378 10.0186 10.0186 10.3773 10.3773 11.2328 11.2328 11.5577 11.5577 11.8076 11.8076 12.0838 12.0838 12.6802 12.6802 k = 0.3929 0.6035 0.2448 ( 6320 PWs) bands (ev): -18.9662 -18.9662 -18.9620 -18.9620 -14.1856 -14.1856 -14.1442 -14.1442 -11.5597 -11.5597 -11.5290 -11.5290 -11.4380 -11.4380 -11.4152 -11.4152 -5.6159 -5.6159 -5.5858 -5.5858 -4.1927 -4.1927 -4.0741 -4.0741 -3.6973 -3.6973 -3.6341 -3.6341 -3.5278 -3.5278 -3.4373 -3.4373 0.8088 0.8088 0.8839 0.8839 1.3511 1.3511 1.4844 1.4844 1.9324 1.9324 1.9777 1.9777 3.5064 3.5064 3.6434 3.6434 3.9286 3.9286 4.0113 4.0113 4.5825 4.5825 4.6409 4.6409 4.8532 4.8532 4.9141 4.9141 5.2081 5.2081 5.2356 5.2356 5.8732 5.8732 6.0326 6.0326 10.0318 10.0318 10.3448 10.3448 11.2646 11.2646 11.5657 11.5657 11.8103 11.8103 12.0688 12.0688 12.7094 12.7094 k = 0.4107 0.6035 0.2448 ( 6330 PWs) bands (ev): -18.9658 -18.9658 -18.9623 -18.9623 -14.1810 -14.1810 -14.1463 -14.1463 -11.5605 -11.5605 -11.5349 -11.5349 -11.4372 -11.4372 -11.4180 -11.4180 -5.6094 -5.6094 -5.5837 -5.5837 -4.1689 -4.1689 -4.0628 -4.0628 -3.6918 -3.6918 -3.6313 -3.6313 -3.5394 -3.5394 -3.4636 -3.4636 0.8072 0.8072 0.8709 0.8709 1.3633 1.3633 1.4765 1.4765 1.9394 1.9394 1.9784 1.9784 3.5075 3.5075 3.6215 3.6215 3.9388 3.9388 4.0100 4.0100 4.5805 4.5805 4.6287 4.6287 4.8582 4.8582 4.9111 4.9111 5.2086 5.2086 5.2328 5.2328 5.8930 5.8930 6.0262 6.0262 10.0475 10.0475 10.3124 10.3124 11.2961 11.2961 11.5626 11.5626 11.8220 11.8220 12.0522 12.0522 12.7376 12.7376 k = 0.4286 0.6035 0.2448 ( 6336 PWs) bands (ev): -18.9654 -18.9654 -18.9625 -18.9625 -14.1766 -14.1766 -14.1487 -14.1487 -11.5607 -11.5607 -11.5402 -11.5402 -11.4362 -11.4362 -11.4206 -11.4206 -5.6034 -5.6034 -5.5825 -5.5825 -4.1459 -4.1459 -4.0556 -4.0556 -3.6843 -3.6843 -3.6289 -3.6289 -3.5498 -3.5498 -3.4888 -3.4888 0.8071 0.8071 0.8587 0.8587 1.3758 1.3758 1.4677 1.4677 1.9461 1.9461 1.9780 1.9780 3.5101 3.5101 3.6011 3.6011 3.9490 3.9490 4.0075 4.0075 4.5795 4.5795 4.6176 4.6176 4.8636 4.8636 4.9074 4.9074 5.2097 5.2097 5.2299 5.2299 5.9119 5.9119 6.0186 6.0186 10.0657 10.0657 10.2803 10.2803 11.3276 11.3276 11.5500 11.5500 11.8411 11.8411 12.0339 12.0339 12.7645 12.7645 k = 0.4464 0.6035 0.2448 ( 6344 PWs) bands (ev): -18.9650 -18.9650 -18.9628 -18.9628 -14.1724 -14.1724 -14.1513 -14.1513 -11.5604 -11.5604 -11.5450 -11.5450 -11.4349 -11.4349 -11.4231 -11.4231 -5.5981 -5.5981 -5.5822 -5.5822 -4.1242 -4.1242 -4.0529 -4.0529 -3.6748 -3.6748 -3.6275 -3.6275 -3.5581 -3.5581 -3.5121 -3.5121 0.8085 0.8085 0.8476 0.8476 1.3884 1.3884 1.4581 1.4581 1.9524 1.9524 1.9768 1.9768 3.5144 3.5144 3.5826 3.5826 3.9590 3.9590 4.0038 4.0038 4.5796 4.5796 4.6079 4.6079 4.8693 4.8693 4.9030 4.9030 5.2113 5.2113 5.2270 5.2270 5.9296 5.9296 6.0097 6.0097 10.0863 10.0863 10.2488 10.2488 11.3589 11.3589 11.5304 11.5304 11.8649 11.8649 12.0139 12.0139 12.7897 12.7897 k = 0.4643 0.6035 0.2448 ( 6336 PWs) bands (ev): -18.9646 -18.9646 -18.9632 -18.9632 -14.1683 -14.1683 -14.1542 -14.1542 -11.5594 -11.5594 -11.5492 -11.5492 -11.4334 -11.4334 -11.4255 -11.4255 -5.5935 -5.5935 -5.5828 -5.5828 -4.1044 -4.1044 -4.0550 -4.0550 -3.6636 -3.6636 -3.6282 -3.6282 -3.5634 -3.5634 -3.5325 -3.5325 0.8114 0.8114 0.8377 0.8377 1.4009 1.4009 1.4478 1.4478 1.9582 1.9582 1.9747 1.9747 3.5206 3.5206 3.5660 3.5660 3.9686 3.9686 3.9989 3.9989 4.5808 4.5808 4.5996 4.5996 4.8752 4.8752 4.8981 4.8981 5.2134 5.2134 5.2241 5.2241 5.9461 5.9461 5.9996 5.9996 10.1091 10.1091 10.2181 10.2181 11.3899 11.3899 11.5062 11.5062 11.8910 11.8910 11.9922 11.9922 12.8129 12.8129 k = 0.4821 0.6035 0.2448 ( 6346 PWs) bands (ev): -18.9642 -18.9642 -18.9635 -18.9635 -14.1644 -14.1644 -14.1574 -14.1574 -11.5579 -11.5579 -11.5527 -11.5527 -11.4317 -11.4317 -11.4277 -11.4277 -5.5896 -5.5896 -5.5842 -5.5842 -4.0869 -4.0869 -4.0616 -4.0616 -3.6517 -3.6517 -3.6324 -3.6324 -3.5643 -3.5643 -3.5486 -3.5486 0.8158 0.8158 0.8290 0.8290 1.4132 1.4132 1.4368 1.4368 1.9633 1.9633 1.9717 1.9717 3.5288 3.5288 3.5515 3.5515 3.9775 3.9775 3.9928 3.9928 4.5834 4.5834 4.5927 4.5927 4.8811 4.8811 4.8927 4.8927 5.2158 5.2158 5.2212 5.2212 5.9614 5.9614 5.9881 5.9881 10.1338 10.1338 10.1886 10.1886 11.4205 11.4205 11.4792 11.4792 11.9176 11.9176 11.9687 11.9687 12.8341 12.8341 k = 0.5000 0.6035 0.2448 ( 6348 PWs) bands (ev): -18.9638 -18.9638 -18.9638 -18.9638 -14.1608 -14.1608 -14.1608 -14.1608 -11.5556 -11.5556 -11.5556 -11.5556 -11.4298 -11.4298 -11.4298 -11.4298 -5.5865 -5.5865 -5.5865 -5.5865 -4.0724 -4.0724 -4.0724 -4.0724 -3.6406 -3.6406 -3.6406 -3.6406 -3.5594 -3.5594 -3.5594 -3.5594 0.8217 0.8217 0.8217 0.8217 1.4252 1.4252 1.4252 1.4252 1.9679 1.9679 1.9679 1.9679 3.5391 3.5391 3.5391 3.5391 3.9856 3.9856 3.9856 3.9856 4.5873 4.5873 4.5873 4.5873 4.8870 4.8870 4.8870 4.8870 5.2184 5.2184 5.2184 5.2184 5.9754 5.9754 5.9754 5.9754 10.1604 10.1604 10.1604 10.1604 11.4504 11.4504 11.4504 11.4504 11.9438 11.9438 11.9438 11.9438 12.8533 12.8533 k = 0.5000 0.6035 0.2448 ( 6348 PWs) bands (ev): -18.9638 -18.9638 -18.9638 -18.9638 -14.1608 -14.1608 -14.1608 -14.1608 -11.5556 -11.5556 -11.5556 -11.5556 -11.4298 -11.4298 -11.4298 -11.4298 -5.5865 -5.5865 -5.5865 -5.5865 -4.0724 -4.0724 -4.0724 -4.0724 -3.6406 -3.6406 -3.6406 -3.6406 -3.5594 -3.5594 -3.5594 -3.5594 0.8217 0.8217 0.8217 0.8217 1.4252 1.4252 1.4252 1.4252 1.9679 1.9679 1.9679 1.9679 3.5391 3.5391 3.5391 3.5391 3.9856 3.9856 3.9856 3.9856 4.5873 4.5873 4.5873 4.5873 4.8870 4.8870 4.8870 4.8870 5.2184 5.2184 5.2184 5.2184 5.9754 5.9754 5.9754 5.9754 10.1604 10.1604 10.1604 10.1604 11.4504 11.4504 11.4504 11.4504 11.9438 11.9438 11.9438 11.9438 12.8533 12.8533 k = 0.5000 0.6098 0.2293 ( 6350 PWs) bands (ev): -18.9638 -18.9638 -18.9638 -18.9638 -14.1609 -14.1609 -14.1609 -14.1609 -11.5559 -11.5559 -11.5554 -11.5554 -11.4297 -11.4297 -11.4294 -11.4294 -5.5872 -5.5872 -5.5865 -5.5865 -4.0792 -4.0792 -4.0689 -4.0689 -3.6465 -3.6465 -3.6342 -3.6342 -3.5590 -3.5590 -3.5563 -3.5563 0.8215 0.8215 0.8218 0.8218 1.4237 1.4237 1.4265 1.4265 1.9648 1.9648 1.9700 1.9700 3.5390 3.5390 3.5394 3.5394 3.9846 3.9846 3.9865 3.9865 4.5871 4.5871 4.5877 4.5877 4.8868 4.8868 4.8880 4.8880 5.2178 5.2178 5.2181 5.2181 5.9745 5.9745 5.9754 5.9754 10.1615 10.1615 10.1627 10.1627 11.4491 11.4491 11.4508 11.4508 11.9438 11.9438 11.9447 11.9447 12.8528 12.8538 k = 0.5000 0.6161 0.2138 ( 6354 PWs) bands (ev): -18.9639 -18.9639 -18.9639 -18.9639 -14.1613 -14.1613 -14.1611 -14.1611 -11.5562 -11.5562 -11.5553 -11.5553 -11.4290 -11.4290 -11.4285 -11.4285 -5.5884 -5.5884 -5.5871 -5.5871 -4.0887 -4.0887 -4.0686 -4.0686 -3.6510 -3.6510 -3.6283 -3.6283 -3.5544 -3.5544 -3.5504 -3.5504 0.8213 0.8213 0.8219 0.8219 1.4220 1.4220 1.4276 1.4276 1.9607 1.9607 1.9713 1.9713 3.5392 3.5392 3.5401 3.5401 3.9835 3.9835 3.9871 3.9871 4.5871 4.5871 4.5883 4.5883 4.8874 4.8874 4.8898 4.8898 5.2163 5.2163 5.2168 5.2168 5.9726 5.9726 5.9744 5.9744 10.1659 10.1659 10.1682 10.1682 11.4472 11.4472 11.4504 11.4504 11.9447 11.9447 11.9466 11.9466 12.8536 12.8554 k = 0.5000 0.6224 0.1982 ( 6350 PWs) bands (ev): -18.9639 -18.9639 -18.9639 -18.9639 -14.1618 -14.1618 -14.1616 -14.1616 -11.5565 -11.5565 -11.5552 -11.5552 -11.4277 -11.4277 -11.4271 -11.4271 -5.5903 -5.5903 -5.5883 -5.5883 -4.1006 -4.1006 -4.0717 -4.0717 -3.6539 -3.6539 -3.6238 -3.6238 -3.5451 -3.5451 -3.5418 -3.5418 0.8211 0.8211 0.8219 0.8219 1.4201 1.4201 1.4285 1.4285 1.9558 1.9558 1.9715 1.9715 3.5396 3.5396 3.5409 3.5409 3.9821 3.9821 3.9875 3.9875 4.5872 4.5872 4.5891 4.5891 4.8889 4.8889 4.8924 4.8924 5.2139 5.2139 5.2146 5.2146 5.9699 5.9699 5.9726 5.9726 10.1735 10.1735 10.1770 10.1770 11.4444 11.4444 11.4493 11.4493 11.9467 11.9467 11.9494 11.9494 12.8559 12.8597 k = 0.5000 0.6287 0.1827 ( 6344 PWs) bands (ev): -18.9639 -18.9639 -18.9639 -18.9639 -14.1625 -14.1625 -14.1622 -14.1622 -11.5568 -11.5568 -11.5551 -11.5551 -11.4260 -11.4260 -11.4252 -11.4252 -5.5928 -5.5928 -5.5900 -5.5900 -4.1143 -4.1143 -4.0778 -4.0778 -3.6552 -3.6552 -3.6211 -3.6211 -3.5315 -3.5315 -3.5309 -3.5309 0.8208 0.8208 0.8218 0.8218 1.4181 1.4181 1.4292 1.4292 1.9500 1.9500 1.9709 1.9709 3.5403 3.5403 3.5420 3.5420 3.9806 3.9806 3.9877 3.9877 4.5876 4.5876 4.5902 4.5902 4.8911 4.8911 4.8957 4.8957 5.2107 5.2107 5.2116 5.2116 5.9662 5.9662 5.9698 5.9698 10.1843 10.1843 10.1889 10.1889 11.4410 11.4410 11.4473 11.4473 11.9498 11.9498 11.9533 11.9533 12.8584 12.8594 k = 0.5000 0.6350 0.1672 ( 6342 PWs) bands (ev): -18.9639 -18.9639 -18.9639 -18.9639 -14.1634 -14.1634 -14.1630 -14.1630 -11.5571 -11.5571 -11.5551 -11.5551 -11.4238 -11.4238 -11.4229 -11.4229 -5.5958 -5.5958 -5.5924 -5.5924 -4.1293 -4.1293 -4.0865 -4.0865 -3.6554 -3.6554 -3.6197 -3.6197 -3.5177 -3.5177 -3.5143 -3.5143 0.8205 0.8205 0.8217 0.8217 1.4158 1.4158 1.4297 1.4297 1.9434 1.9434 1.9693 1.9693 3.5411 3.5411 3.5434 3.5434 3.9790 3.9790 3.9876 3.9876 4.5880 4.5880 4.5915 4.5915 4.8941 4.8941 4.8996 4.8996 5.2067 5.2067 5.2077 5.2077 5.9617 5.9617 5.9662 5.9662 10.1982 10.1982 10.2039 10.2039 11.4368 11.4368 11.4445 11.4445 11.9541 11.9541 11.9583 11.9583 12.8626 12.8723 k = 0.5000 0.6413 0.1517 ( 6338 PWs) bands (ev): -18.9639 -18.9639 -18.9639 -18.9639 -14.1644 -14.1644 -14.1640 -14.1640 -11.5574 -11.5574 -11.5551 -11.5551 -11.4211 -11.4211 -11.4201 -11.4201 -5.5994 -5.5994 -5.5952 -5.5952 -4.1452 -4.1452 -4.0974 -4.0974 -3.6546 -3.6546 -3.6191 -3.6191 -3.5025 -3.5025 -3.4946 -3.4946 0.8201 0.8201 0.8216 0.8216 1.4133 1.4133 1.4300 1.4300 1.9362 1.9362 1.9669 1.9669 3.5422 3.5422 3.5450 3.5450 3.9772 3.9772 3.9872 3.9872 4.5887 4.5887 4.5931 4.5931 4.8978 4.8978 4.9041 4.9041 5.2021 5.2021 5.2032 5.2032 5.9563 5.9563 5.9616 5.9616 10.2150 10.2150 10.2217 10.2217 11.4319 11.4319 11.4410 11.4410 11.9596 11.9596 11.9645 11.9645 12.8679 12.8801 k = 0.5000 0.6476 0.1361 ( 6336 PWs) bands (ev): -18.9640 -18.9640 -18.9640 -18.9640 -14.1656 -14.1656 -14.1651 -14.1651 -11.5576 -11.5576 -11.5551 -11.5551 -11.4181 -11.4181 -11.4171 -11.4171 -5.6034 -5.6034 -5.5985 -5.5985 -4.1616 -4.1616 -4.1098 -4.1098 -3.6533 -3.6533 -3.6191 -3.6191 -3.4856 -3.4856 -3.4731 -3.4731 0.8197 0.8197 0.8213 0.8213 1.4107 1.4107 1.4301 1.4301 1.9283 1.9283 1.9638 1.9638 3.5435 3.5435 3.5467 3.5467 3.9753 3.9753 3.9866 3.9866 4.5894 4.5894 4.5948 4.5948 4.9022 4.9022 4.9091 4.9091 5.1970 5.1970 5.1981 5.1981 5.9500 5.9500 5.9563 5.9563 10.2345 10.2345 10.2422 10.2422 11.4264 11.4264 11.4366 11.4366 11.9666 11.9666 11.9720 11.9720 12.8730 12.8735 k = 0.5000 0.6539 0.1206 ( 6332 PWs) bands (ev): -18.9640 -18.9640 -18.9640 -18.9640 -14.1669 -14.1669 -14.1664 -14.1664 -11.5578 -11.5578 -11.5551 -11.5551 -11.4148 -11.4148 -11.4137 -11.4137 -5.6079 -5.6079 -5.6023 -5.6023 -4.1782 -4.1782 -4.1233 -4.1233 -3.6516 -3.6516 -3.6193 -3.6193 -3.4671 -3.4671 -3.4507 -3.4507 0.8192 0.8192 0.8209 0.8209 1.4079 1.4079 1.4300 1.4300 1.9199 1.9199 1.9599 1.9599 3.5449 3.5449 3.5486 3.5486 3.9732 3.9732 3.9856 3.9856 4.5903 4.5903 4.5968 4.5968 4.9070 4.9070 4.9144 4.9144 5.1914 5.1914 5.1924 5.1924 5.9430 5.9430 5.9501 5.9501 10.2565 10.2565 10.2653 10.2653 11.4203 11.4203 11.4316 11.4316 11.9750 11.9750 11.9809 11.9809 12.8791 12.8926 k = 0.5000 0.6602 0.1051 ( 6334 PWs) bands (ev): -18.9641 -18.9641 -18.9640 -18.9640 -14.1684 -14.1684 -14.1678 -14.1678 -11.5578 -11.5578 -11.5550 -11.5550 -11.4112 -11.4112 -11.4101 -11.4101 -5.6127 -5.6127 -5.6064 -5.6064 -4.1947 -4.1947 -4.1376 -4.1376 -3.6498 -3.6498 -3.6196 -3.6196 -3.4475 -3.4475 -3.4276 -3.4276 0.8187 0.8187 0.8205 0.8205 1.4050 1.4050 1.4297 1.4297 1.9110 1.9110 1.9553 1.9553 3.5464 3.5464 3.5507 3.5507 3.9710 3.9710 3.9844 3.9844 4.5913 4.5913 4.5989 4.5989 4.9123 4.9123 4.9200 4.9200 5.1856 5.1856 5.1864 5.1864 5.9353 5.9353 5.9432 5.9432 10.2808 10.2808 10.2905 10.2905 11.4137 11.4137 11.4259 11.4259 11.9850 11.9850 11.9912 11.9912 12.8852 12.8900 k = 0.5000 0.6665 0.0895 ( 6332 PWs) bands (ev): -18.9641 -18.9641 -18.9641 -18.9641 -14.1699 -14.1699 -14.1692 -14.1692 -11.5578 -11.5578 -11.5550 -11.5550 -11.4074 -11.4074 -11.4064 -11.4064 -5.6179 -5.6179 -5.6108 -5.6108 -4.2107 -4.2107 -4.1521 -4.1521 -3.6479 -3.6479 -3.6199 -3.6199 -3.4272 -3.4272 -3.4043 -3.4043 0.8181 0.8181 0.8200 0.8200 1.4019 1.4019 1.4292 1.4292 1.9018 1.9018 1.9501 1.9501 3.5481 3.5481 3.5529 3.5529 3.9687 3.9687 3.9828 3.9828 4.5923 4.5923 4.6011 4.6011 4.9180 4.9180 4.9257 4.9257 5.1796 5.1796 5.1802 5.1802 5.9269 5.9269 5.9356 5.9356 10.3072 10.3072 10.3178 10.3178 11.4067 11.4067 11.4196 11.4196 11.9965 11.9965 12.0031 12.0031 12.8912 12.8916 k = 0.5000 0.6728 0.0740 ( 6334 PWs) bands (ev): -18.9642 -18.9642 -18.9642 -18.9642 -14.1715 -14.1715 -14.1708 -14.1708 -11.5577 -11.5577 -11.5548 -11.5548 -11.4034 -11.4034 -11.4025 -11.4025 -5.6233 -5.6233 -5.6155 -5.6155 -4.2262 -4.2262 -4.1666 -4.1666 -3.6460 -3.6460 -3.6203 -3.6203 -3.4063 -3.4063 -3.3811 -3.3811 0.8174 0.8174 0.8193 0.8193 1.3987 1.3987 1.4285 1.4285 1.8922 1.8922 1.9444 1.9444 3.5500 3.5500 3.5553 3.5553 3.9663 3.9663 3.9810 3.9810 4.5934 4.5934 4.6035 4.6035 4.9238 4.9238 4.9315 4.9315 5.1735 5.1735 5.1737 5.1737 5.9180 5.9180 5.9274 5.9274 10.3354 10.3354 10.3468 10.3468 11.3995 11.3995 11.4130 11.4130 12.0097 12.0097 12.0164 12.0164 12.8995 12.9041 k = 0.5000 0.6791 0.0585 ( 6328 PWs) bands (ev): -18.9643 -18.9643 -18.9642 -18.9642 -14.1731 -14.1731 -14.1724 -14.1724 -11.5575 -11.5575 -11.5546 -11.5546 -11.3994 -11.3994 -11.3986 -11.3986 -5.6289 -5.6289 -5.6204 -5.6204 -4.2410 -4.2410 -4.1808 -4.1808 -3.6441 -3.6441 -3.6206 -3.6206 -3.3853 -3.3853 -3.3583 -3.3583 0.8167 0.8167 0.8186 0.8186 1.3954 1.3954 1.4276 1.4276 1.8825 1.8825 1.9383 1.9383 3.5519 3.5519 3.5577 3.5577 3.9638 3.9638 3.9790 3.9790 4.5945 4.5945 4.6058 4.6058 4.9298 4.9298 4.9373 4.9373 5.1673 5.1673 5.1675 5.1675 5.9085 5.9085 5.9187 5.9187 10.3650 10.3650 10.3772 10.3772 11.3921 11.3921 11.4061 11.4061 12.0245 12.0245 12.0314 12.0314 12.9020 12.9134 k = 0.5000 0.6791 0.0585 ( 6328 PWs) bands (ev): -18.9643 -18.9643 -18.9642 -18.9642 -14.1731 -14.1731 -14.1724 -14.1724 -11.5575 -11.5575 -11.5546 -11.5546 -11.3994 -11.3994 -11.3986 -11.3986 -5.6289 -5.6289 -5.6204 -5.6204 -4.2410 -4.2410 -4.1808 -4.1808 -3.6441 -3.6441 -3.6206 -3.6206 -3.3853 -3.3853 -3.3583 -3.3583 0.8167 0.8167 0.8186 0.8186 1.3954 1.3954 1.4276 1.4276 1.8825 1.8825 1.9383 1.9383 3.5519 3.5519 3.5577 3.5577 3.9638 3.9638 3.9790 3.9790 4.5945 4.5945 4.6058 4.6058 4.9298 4.9298 4.9373 4.9373 5.1673 5.1673 5.1675 5.1675 5.9085 5.9085 5.9187 5.9187 10.3650 10.3650 10.3772 10.3772 11.3921 11.3921 11.4061 11.4061 12.0245 12.0245 12.0314 12.0314 12.9021 12.9190 k = 0.5000 0.6740 0.0422 ( 6334 PWs) bands (ev): -18.9641 -18.9641 -18.9641 -18.9641 -14.1735 -14.1735 -14.1728 -14.1728 -11.5584 -11.5584 -11.5556 -11.5556 -11.3974 -11.3974 -11.3966 -11.3966 -5.6337 -5.6337 -5.6247 -5.6247 -4.2554 -4.2554 -4.1961 -4.1961 -3.6425 -3.6425 -3.6206 -3.6206 -3.3670 -3.3670 -3.3397 -3.3397 0.8152 0.8152 0.8169 0.8169 1.4019 1.4019 1.4332 1.4332 1.8814 1.8814 1.9357 1.9357 3.5505 3.5505 3.5565 3.5565 3.9627 3.9627 3.9780 3.9780 4.6019 4.6019 4.6138 4.6138 4.9326 4.9326 4.9392 4.9392 5.1620 5.1620 5.1622 5.1622 5.9045 5.9045 5.9138 5.9138 10.3861 10.3861 10.3984 10.3984 11.3766 11.3766 11.3892 11.3892 12.0292 12.0292 12.0353 12.0353 12.8998 12.9004 k = 0.5000 0.6690 0.0258 ( 6326 PWs) bands (ev): -18.9640 -18.9640 -18.9640 -18.9640 -14.1738 -14.1738 -14.1732 -14.1732 -11.5592 -11.5592 -11.5565 -11.5565 -11.3953 -11.3953 -11.3946 -11.3946 -5.6385 -5.6385 -5.6291 -5.6291 -4.2688 -4.2688 -4.2111 -4.2111 -3.6410 -3.6410 -3.6207 -3.6207 -3.3488 -3.3488 -3.3216 -3.3216 0.8136 0.8136 0.8152 0.8152 1.4087 1.4087 1.4388 1.4388 1.8803 1.8803 1.9327 1.9327 3.5492 3.5492 3.5553 3.5553 3.9615 3.9615 3.9768 3.9768 4.6093 4.6093 4.6217 4.6217 4.9353 4.9353 4.9411 4.9411 5.1565 5.1565 5.1570 5.1570 5.9002 5.9002 5.9085 5.9085 10.4083 10.4083 10.4206 10.4206 11.3606 11.3606 11.3718 11.3718 12.0354 12.0354 12.0407 12.0407 12.8976 12.9040 k = 0.5000 0.6640 0.0095 ( 6318 PWs) bands (ev): -18.9639 -18.9639 -18.9639 -18.9639 -14.1742 -14.1742 -14.1736 -14.1736 -11.5599 -11.5599 -11.5573 -11.5573 -11.3933 -11.3933 -11.3926 -11.3926 -5.6432 -5.6432 -5.6337 -5.6337 -4.2812 -4.2812 -4.2256 -4.2256 -3.6395 -3.6395 -3.6209 -3.6209 -3.3309 -3.3309 -3.3043 -3.3043 0.8119 0.8119 0.8133 0.8133 1.4156 1.4156 1.4444 1.4444 1.8792 1.8792 1.9295 1.9295 3.5480 3.5480 3.5542 3.5542 3.9604 3.9604 3.9754 3.9754 4.6167 4.6167 4.6295 4.6295 4.9380 4.9380 4.9430 4.9430 5.1511 5.1511 5.1518 5.1518 5.8956 5.8956 5.9030 5.9030 10.4313 10.4313 10.4436 10.4436 11.3443 11.3443 11.3541 11.3541 12.0430 12.0430 12.0475 12.0475 12.8944 12.8947 k = 0.5000 0.6589-0.0068 ( 6312 PWs) bands (ev): -18.9638 -18.9638 -18.9637 -18.9637 -14.1745 -14.1745 -14.1739 -14.1739 -11.5606 -11.5606 -11.5581 -11.5581 -11.3914 -11.3914 -11.3907 -11.3907 -5.6478 -5.6478 -5.6383 -5.6383 -4.2925 -4.2925 -4.2397 -4.2397 -3.6382 -3.6382 -3.6211 -3.6211 -3.3135 -3.3135 -3.2879 -3.2879 0.8101 0.8101 0.8113 0.8113 1.4225 1.4225 1.4499 1.4499 1.8782 1.8782 1.9261 1.9261 3.5470 3.5470 3.5532 3.5532 3.9594 3.9594 3.9739 3.9739 4.6240 4.6240 4.6369 4.6369 4.9406 4.9406 4.9448 4.9448 5.1456 5.1456 5.1466 5.1466 5.8908 5.8908 5.8974 5.8974 10.4548 10.4548 10.4669 10.4669 11.3279 11.3279 11.3363 11.3363 12.0519 12.0519 12.0558 12.0558 12.8889 12.8890 k = 0.5000 0.6539-0.0231 ( 6310 PWs) bands (ev): -18.9637 -18.9637 -18.9636 -18.9636 -14.1749 -14.1749 -14.1743 -14.1743 -11.5612 -11.5612 -11.5589 -11.5589 -11.3895 -11.3895 -11.3889 -11.3889 -5.6521 -5.6521 -5.6429 -5.6429 -4.3026 -4.3026 -4.2530 -4.2530 -3.6369 -3.6369 -3.6215 -3.6215 -3.2968 -3.2968 -3.2726 -3.2726 0.8083 0.8083 0.8094 0.8094 1.4294 1.4294 1.4552 1.4552 1.8774 1.8774 1.9224 1.9224 3.5461 3.5461 3.5522 3.5522 3.9584 3.9584 3.9724 3.9724 4.6311 4.6311 4.6439 4.6439 4.9432 4.9432 4.9467 4.9467 5.1404 5.1404 5.1416 5.1416 5.8859 5.8859 5.8917 5.8917 10.4784 10.4784 10.4901 10.4901 11.3116 11.3116 11.3187 11.3187 12.0619 12.0619 12.0652 12.0652 12.8828 12.8829 k = 0.5000 0.6488-0.0395 ( 6308 PWs) bands (ev): -18.9636 -18.9636 -18.9636 -18.9636 -14.1752 -14.1752 -14.1747 -14.1747 -11.5617 -11.5617 -11.5596 -11.5596 -11.3878 -11.3878 -11.3872 -11.3872 -5.6562 -5.6562 -5.6474 -5.6474 -4.3115 -4.3115 -4.2656 -4.2656 -3.6357 -3.6357 -3.6218 -3.6218 -3.2811 -3.2811 -3.2584 -3.2584 0.8065 0.8065 0.8074 0.8074 1.4362 1.4362 1.4602 1.4602 1.8767 1.8767 1.9186 1.9186 3.5454 3.5454 3.5512 3.5512 3.9576 3.9576 3.9707 3.9707 4.6378 4.6378 4.6504 4.6504 4.9457 4.9457 4.9486 4.9486 5.1352 5.1352 5.1366 5.1366 5.8810 5.8810 5.8861 5.8861 10.5018 10.5018 10.5130 10.5130 11.2957 11.2957 11.3016 11.3016 12.0730 12.0730 12.0757 12.0757 12.8756 12.8766 k = 0.5000 0.6438-0.0558 ( 6320 PWs) bands (ev): -18.9635 -18.9635 -18.9635 -18.9635 -14.1755 -14.1755 -14.1750 -14.1750 -11.5621 -11.5621 -11.5602 -11.5602 -11.3862 -11.3862 -11.3856 -11.3856 -5.6600 -5.6600 -5.6517 -5.6517 -4.3192 -4.3192 -4.2774 -4.2774 -3.6345 -3.6345 -3.6222 -3.6222 -3.2664 -3.2664 -3.2457 -3.2457 0.8048 0.8048 0.8056 0.8056 1.4428 1.4428 1.4649 1.4649 1.8763 1.8763 1.9146 1.9146 3.5448 3.5448 3.5503 3.5503 3.9569 3.9569 3.9690 3.9690 4.6442 4.6442 4.6562 4.6562 4.9482 4.9482 4.9506 4.9506 5.1304 5.1304 5.1319 5.1319 5.8764 5.8764 5.8807 5.8807 10.5244 10.5244 10.5350 10.5350 11.2804 11.2804 11.2852 11.2852 12.0847 12.0847 12.0870 12.0870 12.8675 12.8685 k = 0.5000 0.6388-0.0721 ( 6320 PWs) bands (ev): -18.9634 -18.9634 -18.9634 -18.9634 -14.1758 -14.1758 -14.1753 -14.1753 -11.5625 -11.5625 -11.5608 -11.5608 -11.3847 -11.3847 -11.3841 -11.3841 -5.6633 -5.6633 -5.6557 -5.6557 -4.3256 -4.3256 -4.2882 -4.2882 -3.6334 -3.6334 -3.6227 -3.6227 -3.2530 -3.2530 -3.2343 -3.2343 0.8031 0.8031 0.8038 0.8038 1.4492 1.4492 1.4691 1.4691 1.8761 1.8761 1.9106 1.9106 3.5443 3.5443 3.5494 3.5494 3.9563 3.9563 3.9673 3.9673 4.6501 4.6501 4.6613 4.6613 4.9507 4.9507 4.9526 4.9526 5.1258 5.1258 5.1274 5.1274 5.8719 5.8719 5.8757 5.8757 10.5459 10.5459 10.5558 10.5558 11.2659 11.2659 11.2698 11.2698 12.0968 12.0968 12.0987 12.0987 12.8573 12.8647 k = 0.5000 0.6337-0.0884 ( 6318 PWs) bands (ev): -18.9634 -18.9634 -18.9633 -18.9633 -14.1760 -14.1760 -14.1756 -14.1756 -11.5628 -11.5628 -11.5613 -11.5613 -11.3833 -11.3833 -11.3829 -11.3829 -5.6663 -5.6663 -5.6595 -5.6595 -4.3307 -4.3307 -4.2981 -4.2981 -3.6324 -3.6324 -3.6232 -3.6232 -3.2409 -3.2409 -3.2245 -3.2245 0.8017 0.8017 0.8022 0.8022 1.4552 1.4552 1.4727 1.4727 1.8763 1.8763 1.9066 1.9066 3.5440 3.5440 3.5485 3.5485 3.9559 3.9559 3.9656 3.9656 4.6554 4.6554 4.6656 4.6656 4.9532 4.9532 4.9547 4.9547 5.1216 5.1216 5.1232 5.1232 5.8679 5.8679 5.8710 5.8710 10.5660 10.5660 10.5748 10.5748 11.2526 11.2526 11.2556 11.2556 12.1090 12.1090 12.1104 12.1104 12.8479 12.8532 k = 0.5000 0.6287-0.1047 ( 6318 PWs) bands (ev): -18.9633 -18.9633 -18.9633 -18.9633 -14.1762 -14.1762 -14.1759 -14.1759 -11.5630 -11.5630 -11.5618 -11.5618 -11.3822 -11.3822 -11.3818 -11.3818 -5.6687 -5.6687 -5.6629 -5.6629 -4.3346 -4.3346 -4.3070 -4.3070 -3.6314 -3.6314 -3.6238 -3.6238 -3.2302 -3.2302 -3.2164 -3.2164 0.8003 0.8003 0.8008 0.8008 1.4607 1.4607 1.4757 1.4757 1.8768 1.8768 1.9026 1.9026 3.5438 3.5438 3.5478 3.5478 3.9557 3.9557 3.9640 3.9640 4.6602 4.6602 4.6691 4.6691 4.9554 4.9554 4.9566 4.9566 5.1179 5.1179 5.1194 5.1194 5.8643 5.8643 5.8669 5.8669 10.5840 10.5840 10.5918 10.5918 11.2407 11.2407 11.2430 11.2430 12.1206 12.1206 12.1218 12.1218 12.8371 12.8372 k = 0.5000 0.6236-0.1211 ( 6314 PWs) bands (ev): -18.9633 -18.9633 -18.9633 -18.9633 -14.1763 -14.1763 -14.1761 -14.1761 -11.5632 -11.5632 -11.5622 -11.5622 -11.3812 -11.3812 -11.3809 -11.3809 -5.6707 -5.6707 -5.6658 -5.6658 -4.3373 -4.3373 -4.3149 -4.3149 -3.6304 -3.6304 -3.6244 -3.6244 -3.2211 -3.2211 -3.2099 -3.2099 0.7992 0.7992 0.7995 0.7995 1.4657 1.4657 1.4779 1.4779 1.8777 1.8777 1.8987 1.8987 3.5437 3.5437 3.5470 3.5470 3.9557 3.9557 3.9625 3.9625 4.6644 4.6644 4.6718 4.6718 4.9575 4.9575 4.9584 4.9584 5.1148 5.1148 5.1161 5.1161 5.8613 5.8613 5.8633 5.8633 10.5997 10.5997 10.6062 10.6062 11.2305 11.2305 11.2321 11.2321 12.1313 12.1313 12.1322 12.1322 12.8277 12.8286 k = 0.5000 0.6186-0.1374 ( 6322 PWs) bands (ev): -18.9632 -18.9632 -18.9632 -18.9632 -14.1765 -14.1765 -14.1763 -14.1763 -11.5633 -11.5633 -11.5625 -11.5625 -11.3804 -11.3804 -11.3802 -11.3802 -5.6720 -5.6720 -5.6684 -5.6684 -4.3386 -4.3386 -4.3217 -4.3217 -3.6295 -3.6295 -3.6250 -3.6250 -3.2136 -3.2136 -3.2051 -3.2051 0.7983 0.7983 0.7986 0.7986 1.4700 1.4700 1.4794 1.4794 1.8789 1.8789 1.8949 1.8949 3.5438 3.5438 3.5463 3.5463 3.9559 3.9559 3.9610 3.9610 4.6679 4.6679 4.6736 4.6736 4.9592 4.9592 4.9598 4.9598 5.1122 5.1122 5.1133 5.1133 5.8589 5.8589 5.8604 5.8604 10.6127 10.6127 10.6177 10.6177 11.2222 11.2222 11.2233 11.2233 12.1404 12.1404 12.1410 12.1410 12.8195 12.8196 k = 0.5000 0.6136-0.1537 ( 6318 PWs) bands (ev): -18.9632 -18.9632 -18.9632 -18.9632 -14.1765 -14.1765 -14.1764 -14.1764 -11.5633 -11.5633 -11.5628 -11.5628 -11.3798 -11.3798 -11.3797 -11.3797 -5.6729 -5.6729 -5.6704 -5.6704 -4.3388 -4.3388 -4.3274 -4.3274 -3.6287 -3.6287 -3.6256 -3.6256 -3.2078 -3.2078 -3.2020 -3.2020 0.7977 0.7977 0.7978 0.7978 1.4737 1.4737 1.4800 1.4800 1.8807 1.8807 1.8914 1.8914 3.5440 3.5440 3.5457 3.5457 3.9562 3.9562 3.9597 3.9597 4.6707 4.6707 4.6746 4.6746 4.9605 4.9605 4.9610 4.9610 5.1104 5.1104 5.1112 5.1112 5.8573 5.8573 5.8582 5.8582 10.6224 10.6224 10.6259 10.6259 11.2162 11.2162 11.2168 11.2168 12.1474 12.1474 12.1478 12.1478 12.8136 12.8136 k = 0.5000 0.6085-0.1700 ( 6314 PWs) bands (ev): -18.9632 -18.9632 -18.9632 -18.9632 -14.1766 -14.1766 -14.1765 -14.1765 -11.5633 -11.5633 -11.5630 -11.5630 -11.3795 -11.3795 -11.3794 -11.3794 -5.6731 -5.6731 -5.6718 -5.6718 -4.3377 -4.3377 -4.3320 -4.3320 -3.6279 -3.6279 -3.6263 -3.6263 -3.2037 -3.2037 -3.2008 -3.2008 0.7973 0.7973 0.7974 0.7974 1.4765 1.4765 1.4797 1.4797 1.8828 1.8828 1.8882 1.8882 3.5443 3.5443 3.5451 3.5451 3.9568 3.9568 3.9586 3.9586 4.6728 4.6728 4.6748 4.6748 4.9614 4.9614 4.9616 4.9616 5.1094 5.1094 5.1098 5.1098 5.8563 5.8563 5.8568 5.8568 10.6288 10.6288 10.6305 10.6305 11.2125 11.2125 11.2128 11.2128 12.1518 12.1518 12.1520 12.1520 12.8103 12.8106 k = 0.5000 0.6035-0.1863 ( 6312 PWs) bands (ev): -18.9632 -18.9632 -18.9632 -18.9632 -14.1766 -14.1766 -14.1766 -14.1766 -11.5632 -11.5632 -11.5632 -11.5632 -11.3793 -11.3793 -11.3793 -11.3793 -5.6728 -5.6728 -5.6728 -5.6728 -4.3355 -4.3355 -4.3355 -4.3355 -3.6271 -3.6271 -3.6271 -3.6271 -3.2013 -3.2013 -3.2013 -3.2013 0.7972 0.7972 0.7972 0.7972 1.4785 1.4785 1.4785 1.4785 1.8853 1.8853 1.8853 1.8853 3.5447 3.5447 3.5447 3.5447 3.9576 3.9576 3.9576 3.9576 4.6742 4.6742 4.6742 4.6742 4.9618 4.9618 4.9618 4.9618 5.1092 5.1092 5.1092 5.1092 5.8562 5.8562 5.8562 5.8562 10.6315 10.6315 10.6315 10.6315 11.2113 11.2113 11.2113 11.2113 12.1534 12.1534 12.1534 12.1534 12.8100 12.8100 k = 0.5000 0.6035-0.1863 ( 6312 PWs) bands (ev): -18.9632 -18.9632 -18.9632 -18.9632 -14.1766 -14.1766 -14.1766 -14.1766 -11.5632 -11.5632 -11.5632 -11.5632 -11.3793 -11.3793 -11.3793 -11.3793 -5.6728 -5.6728 -5.6728 -5.6728 -4.3355 -4.3355 -4.3355 -4.3355 -3.6271 -3.6271 -3.6271 -3.6271 -3.2013 -3.2013 -3.2013 -3.2013 0.7972 0.7972 0.7972 0.7972 1.4785 1.4785 1.4785 1.4785 1.8853 1.8853 1.8853 1.8853 3.5447 3.5447 3.5447 3.5447 3.9576 3.9576 3.9576 3.9576 4.6742 4.6742 4.6742 4.6742 4.9618 4.9618 4.9618 4.9618 5.1092 5.1092 5.1092 5.1092 5.8562 5.8562 5.8562 5.8562 10.6315 10.6315 10.6315 10.6315 11.2113 11.2113 11.2113 11.2113 12.1534 12.1534 12.1534 12.1534 12.8100 12.8100 k = 0.4821 0.6035-0.1863 ( 6328 PWs) bands (ev): -18.9636 -18.9636 -18.9628 -18.9628 -14.1797 -14.1797 -14.1736 -14.1736 -11.5661 -11.5661 -11.5595 -11.5595 -11.3799 -11.3799 -11.3786 -11.3786 -5.6766 -5.6766 -5.6696 -5.6696 -4.3428 -4.3428 -4.3298 -4.3298 -3.6311 -3.6311 -3.6247 -3.6247 -3.2113 -3.2113 -3.1886 -3.1886 0.7864 0.7864 0.8094 0.8094 1.4687 1.4687 1.4881 1.4881 1.8745 1.8745 1.8950 1.8950 3.5424 3.5424 3.5486 3.5486 3.9459 3.9459 3.9691 3.9691 4.6649 4.6649 4.6846 4.6846 4.9594 4.9594 4.9629 4.9629 5.1005 5.1005 5.1198 5.1198 5.8504 5.8504 5.8608 5.8608 10.6066 10.6066 10.6539 10.6539 11.1647 11.1647 11.2613 11.2613 12.1145 12.1145 12.1918 12.1918 12.7995 12.7995 k = 0.4643 0.6035-0.1863 ( 6324 PWs) bands (ev): -18.9640 -18.9640 -18.9624 -18.9624 -14.1831 -14.1831 -14.1709 -14.1709 -11.5682 -11.5682 -11.5550 -11.5550 -11.3805 -11.3805 -11.3779 -11.3779 -5.6812 -5.6812 -5.6671 -5.6671 -4.3517 -4.3517 -4.3260 -4.3260 -3.6366 -3.6366 -3.6242 -3.6242 -3.2183 -3.2183 -3.1733 -3.1733 0.7769 0.7769 0.8227 0.8227 1.4586 1.4586 1.4973 1.4973 1.8628 1.8628 1.9033 1.9033 3.5419 3.5419 3.5542 3.5542 3.9342 3.9342 3.9800 3.9800 4.6569 4.6569 4.6963 4.6963 4.9557 4.9557 4.9627 4.9627 5.0939 5.0939 5.1323 5.1323 5.8435 5.8435 5.8641 5.8641 10.5793 10.5793 10.6738 10.6738 11.1221 11.1221 11.3137 11.3137 12.0761 12.0761 12.2287 12.2287 12.7920 12.7920 k = 0.4464 0.6035-0.1863 ( 6320 PWs) bands (ev): -18.9644 -18.9644 -18.9621 -18.9621 -14.1867 -14.1867 -14.1685 -14.1685 -11.5696 -11.5696 -11.5499 -11.5499 -11.3811 -11.3811 -11.3772 -11.3772 -5.6864 -5.6864 -5.6653 -5.6653 -4.3620 -4.3620 -4.3240 -4.3240 -3.6432 -3.6432 -3.6257 -3.6257 -3.2222 -3.2222 -3.1558 -3.1558 0.7690 0.7690 0.8372 0.8372 1.4484 1.4484 1.5060 1.5060 1.8504 1.8504 1.9102 1.9102 3.5432 3.5432 3.5611 3.5611 3.9229 3.9229 3.9902 3.9902 4.6501 4.6501 4.7090 4.7090 4.9512 4.9512 4.9613 4.9613 5.0892 5.0892 5.1464 5.1464 5.8354 5.8354 5.8664 5.8664 10.5497 10.5497 10.6914 10.6914 11.0837 11.0837 11.3670 11.3670 12.0400 12.0400 12.2631 12.2631 12.7874 12.7874 k = 0.4286 0.6035-0.1863 ( 6318 PWs) bands (ev): -18.9648 -18.9648 -18.9618 -18.9618 -14.1905 -14.1905 -14.1663 -14.1663 -11.5701 -11.5701 -11.5440 -11.5440 -11.3816 -11.3816 -11.3764 -11.3764 -5.6921 -5.6921 -5.6643 -5.6643 -4.3736 -4.3736 -4.3239 -4.3239 -3.6506 -3.6506 -3.6291 -3.6291 -3.2231 -3.2231 -3.1366 -3.1366 0.7626 0.7626 0.8525 0.8525 1.4382 1.4382 1.5141 1.5141 1.8374 1.8374 1.9155 1.9155 3.5461 3.5461 3.5692 3.5692 3.9124 3.9124 3.9995 3.9995 4.6445 4.6445 4.7228 4.7228 4.9459 4.9459 4.9588 4.9588 5.0863 5.0863 5.1619 5.1619 5.8261 5.8261 5.8675 5.8675 10.5183 10.5183 10.7070 10.7070 11.0494 11.0494 11.4188 11.4188 12.0082 12.0082 12.2942 12.2942 12.7858 12.7858 k = 0.4107 0.6035-0.1863 ( 6326 PWs) bands (ev): -18.9653 -18.9653 -18.9615 -18.9615 -14.1944 -14.1944 -14.1644 -14.1644 -11.5698 -11.5698 -11.5376 -11.5376 -11.3821 -11.3821 -11.3756 -11.3756 -5.6984 -5.6984 -5.6641 -5.6641 -4.3862 -4.3862 -4.3256 -4.3256 -3.6585 -3.6585 -3.6340 -3.6340 -3.2214 -3.2214 -3.1160 -3.1160 0.7579 0.7579 0.8686 0.8686 1.4281 1.4281 1.5218 1.5218 1.8241 1.8241 1.9191 1.9191 3.5506 3.5506 3.5779 3.5779 3.9032 3.9032 4.0078 4.0078 4.6401 4.6401 4.7375 4.7375 4.9403 4.9403 4.9555 4.9555 5.0847 5.0847 5.1786 5.1786 5.8157 5.8157 5.8675 5.8675 10.4856 10.4856 10.7209 10.7209 11.0190 11.0190 11.4657 11.4657 11.9838 11.9838 12.3214 12.3214 12.7871 12.7871 k = 0.3929 0.6035-0.1863 ( 6320 PWs) bands (ev): -18.9657 -18.9657 -18.9612 -18.9612 -14.1985 -14.1985 -14.1627 -14.1627 -11.5688 -11.5688 -11.5305 -11.5305 -11.3827 -11.3827 -11.3747 -11.3747 -5.7051 -5.7051 -5.6647 -5.6647 -4.3998 -4.3998 -4.3291 -4.3291 -3.6668 -3.6668 -3.6404 -3.6404 -3.2172 -3.2172 -3.0943 -3.0943 0.7549 0.7549 0.8852 0.8852 1.4183 1.4183 1.5287 1.5287 1.8106 1.8106 1.9208 1.9208 3.5566 3.5566 3.5868 3.5868 3.8958 3.8958 4.0148 4.0148 4.6370 4.6370 4.7532 4.7532 4.9344 4.9344 4.9516 4.9516 5.0843 5.0843 5.1962 5.1962 5.8042 5.8042 5.8664 5.8664 10.4523 10.4523 10.7332 10.7332 10.9920 10.9920 11.5034 11.5034 11.9709 11.9709 12.3440 12.3440 12.7910 12.7910 k = 0.3750 0.6035-0.1863 ( 6322 PWs) bands (ev): -18.9662 -18.9662 -18.9609 -18.9609 -14.2027 -14.2027 -14.1613 -14.1613 -11.5670 -11.5670 -11.5230 -11.5230 -11.3832 -11.3832 -11.3738 -11.3738 -5.7123 -5.7123 -5.6660 -5.6660 -4.4141 -4.4141 -4.3343 -4.3343 -3.6753 -3.6753 -3.6476 -3.6476 -3.2111 -3.2111 -3.0719 -3.0719 0.7535 0.7535 0.9022 0.9022 1.4089 1.4089 1.5351 1.5351 1.7970 1.7970 1.9207 1.9207 3.5639 3.5639 3.5954 3.5954 3.8910 3.8910 4.0206 4.0206 4.6351 4.6351 4.7697 4.7697 4.9284 4.9284 4.9476 4.9476 5.0846 5.0846 5.2146 5.2146 5.7916 5.7916 5.8644 5.8644 10.4189 10.4189 10.7443 10.7443 10.9678 10.9678 11.5269 11.5269 11.9741 11.9741 12.3615 12.3615 12.7970 12.7970 k = 0.3571 0.6035-0.1863 ( 6330 PWs) bands (ev): -18.9666 -18.9666 -18.9607 -18.9607 -14.2069 -14.2069 -14.1602 -14.1602 -11.5646 -11.5646 -11.5150 -11.5150 -11.3837 -11.3837 -11.3729 -11.3729 -5.7198 -5.7198 -5.6680 -5.6680 -4.4288 -4.4288 -4.3411 -4.3411 -3.6838 -3.6838 -3.6554 -3.6554 -3.2035 -3.2035 -3.0490 -3.0490 0.7538 0.7538 0.9193 0.9193 1.4000 1.4000 1.5407 1.5407 1.7837 1.7837 1.9187 1.9187 3.5722 3.5722 3.6030 3.6030 3.8892 3.8892 4.0250 4.0250 4.6344 4.6344 4.7869 4.7869 4.9224 4.9224 4.9436 4.9436 5.0855 5.0855 5.2335 5.2335 5.7781 5.7781 5.8614 5.8614 10.3862 10.3862 10.7541 10.7541 10.9461 10.9461 11.5337 11.5337 11.9954 11.9954 12.3739 12.3739 12.8047 12.8047 k = 0.3393 0.6035-0.1863 ( 6334 PWs) bands (ev): -18.9671 -18.9671 -18.9604 -18.9604 -14.2113 -14.2113 -14.1592 -14.1592 -11.5614 -11.5614 -11.5066 -11.5066 -11.3843 -11.3843 -11.3720 -11.3720 -5.7276 -5.7276 -5.6708 -5.6708 -4.4438 -4.4438 -4.3494 -4.3494 -3.6922 -3.6922 -3.6635 -3.6635 -3.1947 -3.1947 -3.0259 -3.0259 0.7558 0.7558 0.9363 0.9363 1.3919 1.3919 1.5456 1.5456 1.7705 1.7705 1.9149 1.9149 3.5812 3.5812 3.6092 3.6092 3.8912 3.8912 4.0279 4.0279 4.6348 4.6348 4.8047 4.8047 4.9164 4.9164 4.9401 4.9401 5.0868 5.0868 5.2529 5.2529 5.7637 5.7637 5.8575 5.8575 10.3545 10.3545 10.7629 10.7629 10.9263 10.9263 11.5251 11.5251 12.0330 12.0330 12.3811 12.3811 12.8134 12.8134 k = 0.3214 0.6035-0.1863 ( 6338 PWs) bands (ev): -18.9675 -18.9675 -18.9602 -18.9602 -14.2156 -14.2156 -14.1585 -14.1585 -11.5576 -11.5576 -11.4980 -11.4980 -11.3849 -11.3849 -11.3711 -11.3711 -5.7357 -5.7357 -5.6743 -5.6743 -4.4589 -4.4589 -4.3591 -4.3591 -3.7006 -3.7006 -3.6715 -3.6715 -3.1852 -3.1852 -3.0028 -3.0028 0.7595 0.7595 0.9529 0.9529 1.3847 1.3847 1.5498 1.5498 1.7578 1.7578 1.9092 1.9092 3.5900 3.5900 3.6144 3.6144 3.8971 3.8971 4.0295 4.0295 4.6363 4.6363 4.8228 4.8228 4.9104 4.9104 4.9375 4.9375 5.0882 5.0882 5.2725 5.2725 5.7484 5.7484 5.8528 5.8528 10.3245 10.3245 10.7707 10.7707 10.9081 10.9081 11.5051 11.5051 12.0821 12.0821 12.3833 12.3833 12.8223 12.8223 k = 0.3036 0.6035-0.1863 ( 6336 PWs) bands (ev): -18.9680 -18.9680 -18.9600 -18.9600 -14.2199 -14.2199 -14.1580 -14.1580 -11.5532 -11.5532 -11.4891 -11.4891 -11.3855 -11.3855 -11.3702 -11.3702 -5.7439 -5.7439 -5.6784 -5.6784 -4.4738 -4.4738 -4.3698 -4.3698 -3.7088 -3.7088 -3.6791 -3.6791 -3.1752 -3.1752 -2.9800 -2.9800 0.7648 0.7648 0.9690 0.9690 1.3785 1.3785 1.5532 1.5532 1.7455 1.7455 1.9019 1.9019 3.5966 3.5966 3.6202 3.6202 3.9071 3.9071 4.0297 4.0297 4.6389 4.6389 4.8409 4.8409 4.9044 4.9044 4.9358 4.9358 5.0898 5.0898 5.2922 5.2922 5.7324 5.7324 5.8473 5.8473 10.2963 10.2963 10.7775 10.7775 10.8911 10.8911 11.4781 11.4781 12.1377 12.1377 12.3812 12.3812 12.8309 12.8309 k = 0.2857 0.6035-0.1863 ( 6346 PWs) bands (ev): -18.9684 -18.9684 -18.9599 -18.9599 -14.2242 -14.2242 -14.1577 -14.1577 -11.5483 -11.5483 -11.4801 -11.4801 -11.3863 -11.3863 -11.3694 -11.3694 -5.7522 -5.7522 -5.6830 -5.6830 -4.4885 -4.4885 -4.3815 -4.3815 -3.7168 -3.7168 -3.6864 -3.6864 -3.1652 -3.1652 -2.9575 -2.9575 0.7717 0.7717 0.9842 0.9842 1.3735 1.3735 1.5558 1.5558 1.7337 1.7337 1.8931 1.8931 3.5988 3.5988 3.6288 3.6288 3.9207 3.9207 4.0285 4.0285 4.6425 4.6425 4.8582 4.8582 4.8989 4.8989 4.9354 4.9354 5.0913 5.0913 5.3119 5.3119 5.7158 5.7158 5.8412 5.8412 10.2704 10.2704 10.7831 10.7831 10.8753 10.8753 11.4472 11.4472 12.1951 12.1951 12.3758 12.3758 12.8390 12.8390 k = 0.2679 0.6035-0.1863 ( 6346 PWs) bands (ev): -18.9688 -18.9688 -18.9597 -18.9597 -14.2284 -14.2284 -14.1575 -14.1575 -11.5429 -11.5429 -11.4710 -11.4710 -11.3872 -11.3872 -11.3685 -11.3685 -5.7605 -5.7605 -5.6882 -5.6882 -4.5026 -4.5026 -4.3938 -4.3938 -3.7244 -3.7244 -3.6933 -3.6933 -3.1551 -3.1551 -2.9357 -2.9357 0.7800 0.7800 0.9984 0.9984 1.3698 1.3698 1.5576 1.5576 1.7225 1.7225 1.8829 1.8829 3.5969 3.5969 3.6402 3.6402 3.9374 3.9374 4.0260 4.0260 4.6470 4.6470 4.8719 4.8719 4.8968 4.8968 4.9364 4.9364 5.0926 5.0926 5.3313 5.3313 5.6987 5.6987 5.8345 5.8345 10.2468 10.2468 10.7874 10.7874 10.8608 10.8608 11.4145 11.4145 12.2489 12.2489 12.3704 12.3704 12.8462 12.8462 k = 0.2500 0.6035-0.1863 ( 6340 PWs) bands (ev): -18.9692 -18.9692 -18.9596 -18.9596 -14.2325 -14.2325 -14.1575 -14.1575 -11.5372 -11.5372 -11.4620 -11.4620 -11.3882 -11.3882 -11.3677 -11.3677 -5.7688 -5.7688 -5.6938 -5.6938 -4.5161 -4.5161 -4.4067 -4.4067 -3.7315 -3.7315 -3.6997 -3.6997 -3.1453 -3.1453 -2.9146 -2.9146 0.7896 0.7896 1.0114 1.0114 1.3675 1.3675 1.5586 1.5586 1.7120 1.7120 1.8715 1.8715 3.5924 3.5924 3.6532 3.6532 3.9564 3.9564 4.0223 4.0223 4.6524 4.6524 4.8745 4.8745 4.9053 4.9053 4.9388 4.9388 5.0939 5.0939 5.3505 5.3505 5.6812 5.6812 5.8274 5.8274 10.2258 10.2258 10.7898 10.7898 10.8478 10.8478 11.3814 11.3814 12.2867 12.2867 12.3759 12.3759 12.8526 12.8526 k = 0.2321 0.6035-0.1863 ( 6338 PWs) bands (ev): -18.9696 -18.9696 -18.9594 -18.9594 -14.2365 -14.2365 -14.1576 -14.1576 -11.5311 -11.5311 -11.4531 -11.4531 -11.3893 -11.3893 -11.3670 -11.3670 -5.7769 -5.7769 -5.6997 -5.6997 -4.5288 -4.5288 -4.4200 -4.4200 -3.7382 -3.7382 -3.7057 -3.7057 -3.1359 -3.1359 -2.8945 -2.8945 0.8005 0.8005 1.0230 1.0230 1.3665 1.3665 1.5588 1.5588 1.7021 1.7021 1.8593 1.8593 3.5863 3.5863 3.6673 3.6673 3.9768 3.9768 4.0178 4.0178 4.6584 4.6584 4.8694 4.8694 4.9203 4.9203 4.9428 4.9428 5.0950 5.0950 5.3692 5.3692 5.6635 5.6635 5.8199 5.8199 10.2073 10.2073 10.7893 10.7893 10.8373 10.8373 11.3489 11.3489 12.2927 12.2927 12.4071 12.4071 12.8583 12.8583 k = 0.2143 0.6035-0.1863 ( 6336 PWs) bands (ev): -18.9700 -18.9700 -18.9593 -18.9593 -14.2403 -14.2403 -14.1578 -14.1578 -11.5247 -11.5247 -11.4444 -11.4444 -11.3906 -11.3906 -11.3663 -11.3663 -5.7848 -5.7848 -5.7058 -5.7058 -4.5406 -4.5406 -4.4333 -4.4333 -3.7442 -3.7442 -3.7113 -3.7113 -3.1270 -3.1270 -2.8753 -2.8753 0.8124 0.8124 1.0331 1.0331 1.3667 1.3667 1.5583 1.5583 1.6928 1.6928 1.8465 1.8465 3.5792 3.5792 3.6819 3.6819 3.9958 3.9958 4.0145 4.0145 4.6651 4.6651 4.8625 4.8625 4.9348 4.9348 4.9497 4.9497 5.0958 5.0958 5.3873 5.3873 5.6457 5.6457 5.8122 5.8122 10.1913 10.1913 10.7847 10.7847 10.8303 10.8303 11.3178 11.3178 12.2790 12.2790 12.4516 12.4516 12.8636 12.8636 k = 0.1964 0.6035-0.1863 ( 6340 PWs) bands (ev): -18.9704 -18.9704 -18.9592 -18.9592 -14.2439 -14.2439 -14.1581 -14.1581 -11.5181 -11.5181 -11.4360 -11.4360 -11.3920 -11.3920 -11.3657 -11.3657 -5.7924 -5.7924 -5.7120 -5.7120 -4.5514 -4.5514 -4.4466 -4.4466 -3.7496 -3.7496 -3.7166 -3.7166 -3.1187 -3.1187 -2.8573 -2.8573 0.8252 0.8252 1.0419 1.0419 1.3680 1.3680 1.5570 1.5570 1.6842 1.6842 1.8334 1.8334 3.5718 3.5718 3.6970 3.6970 3.9994 3.9994 4.0259 4.0259 4.6723 4.6723 4.8551 4.8551 4.9452 4.9452 4.9614 4.9614 5.0965 5.0965 5.4047 5.4047 5.6280 5.6280 5.8043 5.8043 10.1778 10.1778 10.7760 10.7760 10.8269 10.8269 11.2884 11.2884 12.2583 12.2583 12.4963 12.4963 12.8685 12.8685 k = 0.1786 0.6035-0.1863 ( 6330 PWs) bands (ev): -18.9707 -18.9707 -18.9591 -18.9591 -14.2473 -14.2473 -14.1584 -14.1584 -11.5115 -11.5115 -11.4280 -11.4280 -11.3936 -11.3936 -11.3653 -11.3653 -5.7996 -5.7996 -5.7183 -5.7183 -4.5611 -4.5611 -4.4596 -4.4596 -3.7543 -3.7543 -3.7216 -3.7216 -3.1110 -3.1110 -2.8404 -2.8404 0.8386 0.8386 1.0494 1.0494 1.3701 1.3701 1.5550 1.5550 1.6763 1.6763 1.8203 1.8203 3.5643 3.5643 3.7124 3.7124 3.9925 3.9925 4.0468 4.0468 4.6799 4.6799 4.8474 4.8474 4.9529 4.9529 4.9760 4.9760 5.0970 5.0970 5.4212 5.4212 5.6107 5.6107 5.7964 5.7964 10.1667 10.1667 10.7648 10.7648 10.8255 10.8255 11.2612 11.2612 12.2348 12.2348 12.5372 12.5372 12.8733 12.8733 k = 0.1607 0.6035-0.1863 ( 6326 PWs) bands (ev): -18.9710 -18.9710 -18.9590 -18.9590 -14.2504 -14.2504 -14.1588 -14.1588 -11.5048 -11.5048 -11.4206 -11.4206 -11.3952 -11.3952 -11.3649 -11.3649 -5.8063 -5.8063 -5.7244 -5.7244 -4.5697 -4.5697 -4.4723 -4.4723 -3.7583 -3.7583 -3.7263 -3.7263 -3.1040 -3.1040 -2.8250 -2.8250 0.8523 0.8523 1.0558 1.0558 1.3727 1.3727 1.5524 1.5524 1.6690 1.6690 1.8076 1.8076 3.5570 3.5570 3.7280 3.7280 3.9835 3.9835 4.0681 4.0681 4.6877 4.6877 4.8398 4.8398 4.9602 4.9602 4.9906 4.9906 5.0973 5.0973 5.4366 5.4366 5.5938 5.5938 5.7887 5.7887 10.1578 10.1578 10.7524 10.7524 10.8249 10.8249 11.2366 11.2366 12.2103 12.2103 12.5729 12.5729 12.8780 12.8780 k = 0.1429 0.6035-0.1863 ( 6332 PWs) bands (ev): -18.9713 -18.9713 -18.9590 -18.9590 -14.2533 -14.2533 -14.1592 -14.1592 -11.4982 -11.4982 -11.4139 -11.4139 -11.3967 -11.3967 -11.3646 -11.3646 -5.8126 -5.8126 -5.7303 -5.7303 -4.5771 -4.5771 -4.4843 -4.4843 -3.7616 -3.7616 -3.7307 -3.7307 -3.0978 -3.0978 -2.8109 -2.8109 0.8660 0.8660 1.0612 1.0612 1.3754 1.3754 1.5494 1.5494 1.6623 1.6623 1.7957 1.7957 3.5501 3.5501 3.7438 3.7438 3.9735 3.9735 4.0886 4.0886 4.6956 4.6956 4.8322 4.8322 4.9676 4.9676 5.0043 5.0043 5.0976 5.0976 5.4509 5.4509 5.5777 5.5777 5.7813 5.7813 10.1510 10.1510 10.7397 10.7397 10.8244 10.8244 11.2146 11.2146 12.1860 12.1860 12.6030 12.6030 12.8825 12.8825 k = 0.1250 0.6035-0.1863 ( 6338 PWs) bands (ev): -18.9716 -18.9716 -18.9589 -18.9589 -14.2559 -14.2559 -14.1596 -14.1596 -11.4917 -11.4917 -11.4088 -11.4088 -11.3974 -11.3974 -11.3646 -11.3646 -5.8183 -5.8183 -5.7359 -5.7359 -4.5833 -4.5833 -4.4955 -4.4955 -3.7643 -3.7643 -3.7349 -3.7349 -3.0922 -3.0922 -2.7983 -2.7983 0.8793 0.8793 1.0658 1.0658 1.3779 1.3779 1.5461 1.5461 1.6562 1.6562 1.7848 1.7848 3.5437 3.5437 3.7595 3.7595 3.9626 3.9626 4.1077 4.1077 4.7035 4.7035 4.8248 4.8248 4.9751 4.9751 5.0164 5.0164 5.0980 5.0980 5.4640 5.4640 5.5625 5.5625 5.7742 5.7742 10.1459 10.1459 10.7274 10.7274 10.8237 10.8237 11.1955 11.1955 12.1627 12.1627 12.6276 12.6276 12.8869 12.8869 k = 0.1071 0.6035-0.1863 ( 6348 PWs) bands (ev): -18.9718 -18.9718 -18.9589 -18.9589 -14.2582 -14.2582 -14.1600 -14.1600 -11.4855 -11.4855 -11.4068 -11.4068 -11.3957 -11.3957 -11.3647 -11.3647 -5.8233 -5.8233 -5.7409 -5.7409 -4.5884 -4.5884 -4.5059 -4.5059 -3.7663 -3.7663 -3.7387 -3.7387 -3.0874 -3.0874 -2.7873 -2.7873 0.8919 0.8919 1.0699 1.0699 1.3798 1.3798 1.5429 1.5429 1.6508 1.6508 1.7751 1.7751 3.5379 3.5379 3.7753 3.7753 3.9510 3.9510 4.1251 4.1251 4.7111 4.7111 4.8177 4.8177 4.9828 4.9828 5.0266 5.0266 5.0987 5.0987 5.4755 5.4755 5.5486 5.5486 5.7678 5.7678 10.1423 10.1423 10.7157 10.7157 10.8226 10.8226 11.1792 11.1792 12.1411 12.1411 12.6470 12.6470 12.8911 12.8911 k = 0.0893 0.6035-0.1863 ( 6356 PWs) bands (ev): -18.9720 -18.9720 -18.9588 -18.9588 -14.2601 -14.2601 -14.1603 -14.1603 -11.4796 -11.4796 -11.4078 -11.4078 -11.3918 -11.3918 -11.3650 -11.3650 -5.8276 -5.8276 -5.7454 -5.7454 -4.5924 -4.5924 -4.5151 -4.5151 -3.7677 -3.7677 -3.7422 -3.7422 -3.0833 -3.0833 -2.7779 -2.7779 0.9034 0.9034 1.0736 1.0736 1.3810 1.3810 1.5399 1.5399 1.6460 1.6460 1.7668 1.7668 3.5330 3.5330 3.7910 3.7910 3.9388 3.9388 4.1404 4.1404 4.7184 4.7184 4.8109 4.8109 4.9903 4.9903 5.0345 5.0345 5.0998 5.0998 5.4855 5.4855 5.5361 5.5361 5.7620 5.7620 10.1400 10.1400 10.7051 10.7051 10.8214 10.8214 11.1656 11.1656 12.1219 12.1219 12.6618 12.6618 12.8948 12.8948 k = 0.0714 0.6035-0.1863 ( 6344 PWs) bands (ev): -18.9721 -18.9721 -18.9588 -18.9588 -14.2618 -14.2618 -14.1606 -14.1606 -11.4743 -11.4743 -11.4097 -11.4097 -11.3875 -11.3875 -11.3655 -11.3655 -5.8313 -5.8313 -5.7492 -5.7492 -4.5954 -4.5954 -4.5230 -4.5230 -3.7686 -3.7686 -3.7453 -3.7453 -3.0800 -3.0800 -2.7701 -2.7701 0.9133 0.9133 1.0768 1.0768 1.3815 1.3815 1.5374 1.5374 1.6420 1.6420 1.7600 1.7600 3.5288 3.5288 3.8065 3.8065 3.9260 3.9260 4.1534 4.1534 4.7251 4.7251 4.8047 4.8047 4.9974 4.9974 5.0399 5.0399 5.1013 5.1013 5.4938 5.4938 5.5256 5.5256 5.7571 5.7571 10.1386 10.1386 10.6958 10.6958 10.8200 10.8200 11.1548 11.1548 12.1055 12.1055 12.6729 12.6729 12.8981 12.8981 k = 0.0536 0.6035-0.1863 ( 6342 PWs) bands (ev): -18.9723 -18.9723 -18.9588 -18.9588 -14.2630 -14.2630 -14.1609 -14.1609 -11.4697 -11.4697 -11.4118 -11.4118 -11.3837 -11.3837 -11.3662 -11.3662 -5.8341 -5.8341 -5.7523 -5.7523 -4.5976 -4.5976 -4.5295 -4.5295 -3.7691 -3.7691 -3.7480 -3.7480 -3.0774 -3.0774 -2.7640 -2.7640 0.9214 0.9214 1.0796 1.0796 1.3814 1.3814 1.5354 1.5354 1.6387 1.6387 1.7547 1.7547 3.5255 3.5255 3.8218 3.8218 3.9129 3.9129 4.1637 4.1637 4.7310 4.7310 4.7992 4.7992 5.0038 5.0038 5.0429 5.0429 5.1032 5.1032 5.5002 5.5002 5.5172 5.5172 5.7531 5.7531 10.1379 10.1379 10.6883 10.6883 10.8187 10.8187 11.1466 11.1466 12.0923 12.0923 12.6807 12.6807 12.9008 12.9008 k = 0.0357 0.6035-0.1863 ( 6336 PWs) bands (ev): -18.9724 -18.9724 -18.9588 -18.9588 -14.2640 -14.2640 -14.1611 -14.1611 -11.4661 -11.4661 -11.4136 -11.4136 -11.3804 -11.3804 -11.3671 -11.3671 -5.8362 -5.8362 -5.7545 -5.7545 -4.5989 -4.5989 -4.5343 -4.5343 -3.7693 -3.7693 -3.7500 -3.7500 -3.0756 -3.0756 -2.7596 -2.7596 0.9273 0.9273 1.0818 1.0818 1.3810 1.3810 1.5340 1.5340 1.6363 1.6363 1.7510 1.7510 3.5232 3.5232 3.8366 3.8366 3.8996 3.8996 4.1712 4.1712 4.7358 4.7358 4.7947 4.7947 5.0091 5.0091 5.0442 5.0442 5.1050 5.1050 5.5040 5.5040 5.5118 5.5118 5.7502 5.7502 10.1376 10.1376 10.6827 10.6827 10.8176 10.8176 11.1409 11.1409 12.0827 12.0827 12.6858 12.6858 12.9027 12.9027 k = 0.0179 0.6035-0.1863 ( 6336 PWs) bands (ev): -18.9724 -18.9724 -18.9588 -18.9588 -14.2645 -14.2645 -14.1612 -14.1612 -11.4638 -11.4638 -11.4149 -11.4149 -11.3782 -11.3782 -11.3679 -11.3679 -5.8374 -5.8374 -5.7559 -5.7559 -4.5997 -4.5997 -4.5373 -4.5373 -3.7694 -3.7694 -3.7513 -3.7513 -3.0745 -3.0745 -2.7570 -2.7570 0.9310 0.9310 1.0832 1.0832 1.3805 1.3805 1.5332 1.5332 1.6348 1.6348 1.7488 1.7488 3.5217 3.5217 3.8501 3.8501 3.8869 3.8869 4.1758 4.1758 4.7390 4.7390 4.7917 4.7917 5.0127 5.0127 5.0444 5.0444 5.1063 5.1063 5.5040 5.5040 5.5108 5.5108 5.7484 5.7484 10.1375 10.1375 10.6792 10.6792 10.8169 10.8169 11.1375 11.1375 12.0769 12.0769 12.6887 12.6887 12.9039 12.9039 k = 0.0000 0.6035-0.1863 ( 6330 PWs) bands (ev): -18.9724 -18.9724 -18.9588 -18.9588 -14.2647 -14.2647 -14.1612 -14.1612 -11.4630 -11.4630 -11.4154 -11.4154 -11.3773 -11.3773 -11.3683 -11.3683 -5.8378 -5.8378 -5.7563 -5.7563 -4.5999 -4.5999 -4.5383 -4.5383 -3.7694 -3.7694 -3.7517 -3.7517 -3.0741 -3.0741 -2.7561 -2.7561 0.9322 0.9322 1.0837 1.0837 1.3803 1.3803 1.5329 1.5329 1.6343 1.6343 1.7480 1.7480 3.5213 3.5213 3.8577 3.8577 3.8796 3.8796 4.1773 4.1773 4.7401 4.7401 4.7907 4.7907 5.0140 5.0140 5.0444 5.0444 5.1067 5.1067 5.5033 5.5033 5.5111 5.5111 5.7478 5.7478 10.1375 10.1375 10.6781 10.6781 10.8166 10.8166 11.1364 11.1364 12.0749 12.0749 12.6897 12.6897 12.9043 12.9043 k = 0.0000 0.6035-0.1863 ( 6330 PWs) bands (ev): -18.9724 -18.9724 -18.9588 -18.9588 -14.2647 -14.2647 -14.1612 -14.1612 -11.4630 -11.4630 -11.4154 -11.4154 -11.3773 -11.3773 -11.3683 -11.3683 -5.8378 -5.8378 -5.7563 -5.7563 -4.5999 -4.5999 -4.5383 -4.5383 -3.7694 -3.7694 -3.7517 -3.7517 -3.0741 -3.0741 -2.7561 -2.7561 0.9322 0.9322 1.0837 1.0837 1.3803 1.3803 1.5329 1.5329 1.6343 1.6343 1.7480 1.7480 3.5213 3.5213 3.8577 3.8577 3.8796 3.8796 4.1773 4.1773 4.7401 4.7401 4.7907 4.7907 5.0140 5.0140 5.0444 5.0444 5.1067 5.1067 5.5033 5.5033 5.5111 5.5111 5.7478 5.7478 10.1375 10.1375 10.6781 10.6781 10.8166 10.8166 11.1364 11.1364 12.0749 12.0749 12.6897 12.6897 12.9043 12.9043 k = 0.0000 0.6085-0.1700 ( 6332 PWs) bands (ev): -18.9724 -18.9724 -18.9588 -18.9588 -14.2647 -14.2647 -14.1611 -14.1611 -11.4631 -11.4631 -11.4153 -11.4153 -11.3774 -11.3774 -11.3683 -11.3683 -5.8375 -5.8375 -5.7562 -5.7562 -4.5996 -4.5996 -4.5378 -4.5378 -3.7693 -3.7693 -3.7515 -3.7515 -3.0750 -3.0750 -2.7569 -2.7569 0.9325 0.9325 1.0835 1.0835 1.3802 1.3802 1.5330 1.5330 1.6343 1.6343 1.7485 1.7485 3.5213 3.5213 3.8577 3.8577 3.8791 3.8791 4.1775 4.1775 4.7400 4.7400 4.7908 4.7908 5.0134 5.0134 5.0441 5.0441 5.1068 5.1068 5.5035 5.5035 5.5110 5.5110 5.7483 5.7483 10.1378 10.1378 10.6780 10.6780 10.8162 10.8162 11.1370 11.1370 12.0758 12.0758 12.6845 12.6845 12.9016 12.9016 k = 0.0000 0.6136-0.1537 ( 6327 PWs) bands (ev): -18.9723 -18.9723 -18.9589 -18.9589 -14.2648 -14.2648 -14.1608 -14.1608 -11.4636 -11.4636 -11.4151 -11.4151 -11.3777 -11.3777 -11.3683 -11.3683 -5.8365 -5.8365 -5.7556 -5.7556 -4.5987 -4.5987 -4.5364 -4.5364 -3.7691 -3.7691 -3.7508 -3.7508 -3.0777 -3.0777 -2.7592 -2.7592 0.9332 0.9332 1.0828 1.0828 1.3799 1.3799 1.5330 1.5330 1.6343 1.6343 1.7500 1.7500 3.5214 3.5214 3.8576 3.8576 3.8775 3.8775 4.1782 4.1782 4.7397 4.7397 4.7913 4.7913 5.0116 5.0116 5.0431 5.0431 5.1069 5.1069 5.5041 5.5041 5.5109 5.5109 5.7495 5.7495 10.1388 10.1388 10.6780 10.6780 10.8151 10.8151 11.1388 11.1388 12.0784 12.0784 12.6694 12.6694 12.8935 12.8935 k = 0.0000 0.6186-0.1374 ( 6340 PWs) bands (ev): -18.9722 -18.9722 -18.9591 -18.9591 -14.2649 -14.2649 -14.1604 -14.1604 -11.4642 -11.4642 -11.4148 -11.4148 -11.3783 -11.3783 -11.3684 -11.3684 -5.8350 -5.8350 -5.7548 -5.7548 -4.5972 -4.5972 -4.5342 -4.5342 -3.7687 -3.7687 -3.7497 -3.7497 -3.0822 -3.0822 -2.7631 -2.7631 0.9345 0.9345 1.0816 1.0816 1.3792 1.3792 1.5330 1.5330 1.6343 1.6343 1.7524 1.7524 3.5215 3.5215 3.8572 3.8572 3.8750 3.8750 4.1792 4.1792 4.7393 4.7393 4.7920 4.7920 5.0087 5.0087 5.0416 5.0416 5.1070 5.1070 5.5046 5.5046 5.5108 5.5108 5.7517 5.7517 10.1405 10.1405 10.6779 10.6779 10.8131 10.8131 11.1418 11.1418 12.0827 12.0827 12.6450 12.6450 12.8805 12.8805 k = 0.0000 0.6236-0.1211 ( 6339 PWs) bands (ev): -18.9720 -18.9720 -18.9594 -18.9594 -14.2650 -14.2650 -14.1598 -14.1598 -11.4652 -11.4652 -11.4144 -11.4144 -11.3790 -11.3790 -11.3684 -11.3684 -5.8328 -5.8328 -5.7536 -5.7536 -4.5950 -4.5950 -4.5310 -4.5310 -3.7682 -3.7682 -3.7482 -3.7482 -3.0885 -3.0885 -2.7685 -2.7685 0.9362 0.9362 1.0801 1.0801 1.3783 1.3783 1.5331 1.5331 1.6344 1.6344 1.7557 1.7557 3.5218 3.5218 3.8558 3.8558 3.8724 3.8724 4.1806 4.1806 4.7387 4.7387 4.7931 4.7931 5.0048 5.0048 5.0393 5.0393 5.1073 5.1073 5.5044 5.5044 5.5111 5.5111 5.7551 5.7551 10.1428 10.1428 10.6777 10.6777 10.8105 10.8105 11.1462 11.1462 12.0883 12.0883 12.6125 12.6125 12.8634 12.8634 k = 0.0000 0.6287-0.1047 ( 6346 PWs) bands (ev): -18.9718 -18.9718 -18.9597 -18.9597 -14.2652 -14.2652 -14.1591 -14.1591 -11.4664 -11.4664 -11.4138 -11.4138 -11.3798 -11.3798 -11.3686 -11.3686 -5.8300 -5.8300 -5.7522 -5.7522 -4.5921 -4.5921 -4.5271 -4.5271 -3.7674 -3.7674 -3.7463 -3.7463 -3.0964 -3.0964 -2.7754 -2.7754 0.9383 0.9383 1.0783 1.0783 1.3769 1.3769 1.5332 1.5332 1.6345 1.6345 1.7599 1.7599 3.5222 3.5222 3.8527 3.8527 3.8705 3.8705 4.1825 4.1825 4.7381 4.7381 4.7944 4.7944 4.9997 4.9997 5.0364 5.0364 5.1077 5.1077 5.5034 5.5034 5.5118 5.5118 5.7598 5.7598 10.1457 10.1457 10.6776 10.6776 10.8072 10.8072 11.1520 11.1520 12.0951 12.0951 12.5733 12.5733 12.8430 12.8430 k = 0.0000 0.6337-0.0884 ( 6346 PWs) bands (ev): -18.9715 -18.9715 -18.9601 -18.9601 -14.2654 -14.2654 -14.1582 -14.1582 -11.4678 -11.4678 -11.4131 -11.4131 -11.3809 -11.3809 -11.3687 -11.3687 -5.8267 -5.8267 -5.7504 -5.7504 -4.5886 -4.5886 -4.5224 -4.5224 -3.7663 -3.7663 -3.7441 -3.7441 -3.1060 -3.1060 -2.7837 -2.7837 0.9407 0.9407 1.0763 1.0763 1.3750 1.3750 1.5333 1.5333 1.6348 1.6348 1.7650 1.7650 3.5227 3.5227 3.8471 3.8471 3.8698 3.8698 4.1847 4.1847 4.7375 4.7375 4.7959 4.7959 4.9937 4.9937 5.0329 5.0329 5.1082 5.1082 5.5016 5.5016 5.5123 5.5123 5.7661 5.7661 10.1491 10.1491 10.6773 10.6773 10.8034 10.8034 11.1592 11.1592 12.1025 12.1025 12.5287 12.5287 12.8202 12.8202 k = 0.0000 0.6388-0.0721 ( 6348 PWs) bands (ev): -18.9711 -18.9711 -18.9606 -18.9606 -14.2656 -14.2656 -14.1572 -14.1572 -11.4694 -11.4694 -11.4124 -11.4124 -11.3820 -11.3820 -11.3690 -11.3690 -5.8228 -5.8228 -5.7485 -5.7485 -4.5845 -4.5845 -4.5171 -4.5171 -3.7649 -3.7649 -3.7416 -3.7416 -3.1170 -3.1170 -2.7933 -2.7933 0.9432 0.9432 1.0743 1.0743 1.3726 1.3726 1.5332 1.5332 1.6353 1.6353 1.7708 1.7708 3.5235 3.5235 3.8395 3.8395 3.8703 3.8703 4.1873 4.1873 4.7369 4.7369 4.7976 4.7976 4.9867 4.9867 5.0286 5.0286 5.1090 5.1090 5.4993 5.4993 5.5122 5.5122 5.7740 5.7740 10.1531 10.1531 10.6770 10.6770 10.7995 10.7995 11.1680 11.1680 12.1102 12.1102 12.4802 12.4802 12.7956 12.7956 k = 0.0000 0.6438-0.0558 ( 6345 PWs) bands (ev): -18.9707 -18.9707 -18.9612 -18.9612 -14.2658 -14.2658 -14.1561 -14.1561 -11.4712 -11.4712 -11.4116 -11.4116 -11.3832 -11.3832 -11.3693 -11.3693 -5.8184 -5.8184 -5.7463 -5.7463 -4.5796 -4.5796 -4.5112 -4.5112 -3.7632 -3.7632 -3.7387 -3.7387 -3.1295 -3.1295 -2.8043 -2.8043 0.9457 0.9457 1.0725 1.0725 1.3697 1.3697 1.5330 1.5330 1.6362 1.6362 1.7773 1.7773 3.5245 3.5245 3.8303 3.8303 3.8715 3.8715 4.1902 4.1902 4.7366 4.7366 4.7995 4.7995 4.9790 4.9790 5.0236 5.0236 5.1100 5.1100 5.4965 5.4965 5.5112 5.5112 5.7838 5.7838 10.1575 10.1575 10.6764 10.6764 10.7956 10.7956 11.1782 11.1782 12.1176 12.1176 12.4291 12.4291 12.7700 12.7700 k = 0.0000 0.6488-0.0395 ( 6353 PWs) bands (ev): -18.9703 -18.9703 -18.9618 -18.9618 -14.2660 -14.2660 -14.1549 -14.1549 -11.4732 -11.4732 -11.4107 -11.4107 -11.3846 -11.3846 -11.3697 -11.3697 -5.8135 -5.8135 -5.7441 -5.7441 -4.5740 -4.5740 -4.5047 -4.5047 -3.7610 -3.7610 -3.7355 -3.7355 -3.1433 -3.1433 -2.8165 -2.8165 0.9481 0.9481 1.0710 1.0710 1.3661 1.3661 1.5325 1.5325 1.6374 1.6374 1.7845 1.7845 3.5258 3.5258 3.8197 3.8197 3.8731 3.8731 4.1935 4.1935 4.7363 4.7363 4.8014 4.8014 4.9707 4.9707 5.0180 5.0180 5.1113 5.1113 5.4932 5.4932 5.5090 5.5090 5.7952 5.7952 10.1623 10.1623 10.6755 10.6755 10.7922 10.7922 11.1898 11.1898 12.1242 12.1242 12.3767 12.3767 12.7440 12.7440 k = 0.0000 0.6539-0.0231 ( 6352 PWs) bands (ev): -18.9699 -18.9699 -18.9624 -18.9624 -14.2661 -14.2661 -14.1536 -14.1536 -11.4753 -11.4753 -11.4099 -11.4099 -11.3859 -11.3859 -11.3701 -11.3701 -5.8082 -5.8082 -5.7417 -5.7417 -4.5677 -4.5677 -4.4978 -4.4978 -3.7585 -3.7585 -3.7321 -3.7321 -3.1582 -3.1582 -2.8298 -2.8298 0.9501 0.9501 1.0700 1.0700 1.3619 1.3619 1.5315 1.5315 1.6392 1.6392 1.7921 1.7921 3.5274 3.5274 3.8081 3.8081 3.8750 3.8750 4.1970 4.1970 4.7363 4.7363 4.8033 4.8033 4.9619 4.9619 5.0117 5.0117 5.1129 5.1129 5.4895 5.4895 5.5057 5.5057 5.8082 5.8082 10.1674 10.1674 10.6741 10.6741 10.7896 10.7896 11.2027 11.2027 12.1290 12.1290 12.3242 12.3242 12.7184 12.7184 k = 0.0000 0.6589-0.0068 ( 6351 PWs) bands (ev): -18.9694 -18.9694 -18.9631 -18.9631 -14.2662 -14.2662 -14.1524 -14.1524 -11.4774 -11.4774 -11.4090 -11.4090 -11.3873 -11.3873 -11.3706 -11.3706 -5.8026 -5.8026 -5.7393 -5.7393 -4.5608 -4.5608 -4.4906 -4.4906 -3.7555 -3.7555 -3.7285 -3.7285 -3.1741 -3.1741 -2.8442 -2.8442 0.9516 0.9516 1.0697 1.0697 1.3571 1.3571 1.5300 1.5300 1.6417 1.6417 1.8002 1.8002 3.5295 3.5295 3.7957 3.7957 3.8771 3.8771 4.2008 4.2008 4.7365 4.7365 4.8050 4.8050 4.9530 4.9530 5.0047 5.0047 5.1148 5.1148 5.4855 5.4855 5.5013 5.5013 5.8225 5.8225 10.1727 10.1727 10.6723 10.6723 10.7882 10.7882 11.2170 11.2170 12.1310 12.1310 12.2733 12.2733 12.6935 12.6935 k = 0.0000 0.6640 0.0095 ( 6352 PWs) bands (ev): -18.9689 -18.9689 -18.9638 -18.9638 -14.2663 -14.2663 -14.1510 -14.1510 -11.4796 -11.4796 -11.4082 -11.4082 -11.3886 -11.3886 -11.3711 -11.3711 -5.7966 -5.7966 -5.7369 -5.7369 -4.5532 -4.5532 -4.4832 -4.4832 -3.7520 -3.7520 -3.7246 -3.7246 -3.1908 -3.1908 -2.8595 -2.8595 0.9525 0.9525 1.0701 1.0701 1.3518 1.3518 1.5278 1.5278 1.6448 1.6448 1.8085 1.8085 3.5319 3.5319 3.7825 3.7825 3.8794 3.8794 4.2048 4.2048 4.7369 4.7369 4.8063 4.8063 4.9441 4.9441 4.9970 4.9970 5.1172 5.1172 5.4810 5.4810 5.4961 5.4961 5.8378 5.8378 10.1781 10.1781 10.6701 10.6701 10.7882 10.7882 11.2324 11.2324 12.1279 12.1279 12.2264 12.2264 12.6699 12.6699 k = 0.0000 0.6690 0.0258 ( 6348 PWs) bands (ev): -18.9685 -18.9685 -18.9645 -18.9645 -14.2663 -14.2663 -14.1497 -14.1497 -11.4819 -11.4819 -11.4076 -11.4076 -11.3899 -11.3899 -11.3716 -11.3716 -5.7904 -5.7904 -5.7345 -5.7345 -4.5450 -4.5450 -4.4756 -4.4756 -3.7481 -3.7481 -3.7206 -3.7206 -3.2080 -3.2080 -2.8756 -2.8756 0.9525 0.9525 1.0713 1.0713 1.3461 1.3461 1.5249 1.5249 1.6487 1.6487 1.8171 1.8171 3.5347 3.5347 3.7690 3.7690 3.8819 3.8819 4.2089 4.2089 4.7375 4.7375 4.8068 4.8068 4.9357 4.9357 4.9888 4.9888 5.1199 5.1199 5.4761 5.4761 5.4901 5.4901 5.8536 5.8536 10.1834 10.1834 10.6677 10.6677 10.7895 10.7895 11.2489 11.2489 12.1147 12.1147 12.1888 12.1888 12.6480 12.6480 k = 0.0000 0.6740 0.0422 ( 6350 PWs) bands (ev): -18.9682 -18.9682 -18.9651 -18.9651 -14.2662 -14.2662 -14.1484 -14.1484 -11.4841 -11.4841 -11.4073 -11.4073 -11.3908 -11.3908 -11.3722 -11.3722 -5.7840 -5.7840 -5.7321 -5.7321 -4.5363 -4.5363 -4.4680 -4.4680 -3.7436 -3.7436 -3.7164 -3.7164 -3.2257 -3.2257 -2.8923 -2.8923 0.9518 0.9518 1.0731 1.0731 1.3401 1.3401 1.5211 1.5211 1.6531 1.6531 1.8257 1.8257 3.5380 3.5380 3.7552 3.7552 3.8844 3.8844 4.2131 4.2131 4.7383 4.7383 4.8064 4.8064 4.9282 4.9282 4.9800 4.9800 5.1230 5.1230 5.4708 5.4708 5.4836 5.4836 5.8696 5.8696 10.1886 10.1886 10.6651 10.6651 10.7923 10.7923 11.2666 11.2666 12.0866 12.0866 12.1658 12.1658 12.6278 12.6278 k = 0.0000 0.6791 0.0585 ( 6355 PWs) bands (ev): -18.9684 -18.9684 -18.9653 -18.9653 -14.2661 -14.2661 -14.1472 -14.1472 -11.4864 -11.4864 -11.4074 -11.4074 -11.3915 -11.3915 -11.3727 -11.3727 -5.7774 -5.7774 -5.7298 -5.7298 -4.5272 -4.5272 -4.4604 -4.4604 -3.7387 -3.7387 -3.7122 -3.7122 -3.2434 -3.2434 -2.9096 -2.9096 0.9504 0.9504 1.0755 1.0755 1.3341 1.3341 1.5166 1.5166 1.6582 1.6582 1.8342 1.8342 3.5416 3.5416 3.7413 3.7413 3.8870 3.8870 4.2173 4.2173 4.7391 4.7391 4.8045 4.8045 4.9220 4.9220 4.9707 4.9707 5.1266 5.1266 5.4651 5.4651 5.4768 5.4768 5.8854 5.8854 10.1936 10.1936 10.6628 10.6628 10.7965 10.7965 11.2852 11.2852 12.0493 12.0493 12.1521 12.1521 12.6094 12.6094 k = 0.5000 0.5279 0.4312 ( 6328 PWs) bands (ev): -18.9643 -18.9643 -18.9642 -18.9642 -14.1731 -14.1731 -14.1724 -14.1724 -11.5575 -11.5575 -11.5546 -11.5546 -11.3994 -11.3994 -11.3986 -11.3986 -5.6289 -5.6289 -5.6204 -5.6204 -4.2410 -4.2410 -4.1808 -4.1808 -3.6441 -3.6441 -3.6206 -3.6206 -3.3853 -3.3853 -3.3583 -3.3583 0.8167 0.8167 0.8186 0.8186 1.3954 1.3954 1.4276 1.4276 1.8825 1.8825 1.9383 1.9383 3.5519 3.5519 3.5577 3.5577 3.9638 3.9638 3.9790 3.9790 4.5945 4.5945 4.6058 4.6058 4.9298 4.9298 4.9373 4.9373 5.1673 5.1673 5.1675 5.1675 5.9085 5.9085 5.9187 5.9187 10.3650 10.3650 10.3772 10.3772 11.3921 11.3921 11.4061 11.4061 12.0245 12.0245 12.0314 12.0314 12.9022 12.9197 k = 0.5000 0.5103 0.4312 ( 6330 PWs) bands (ev): -18.9647 -18.9647 -18.9646 -18.9646 -14.1753 -14.1753 -14.1746 -14.1746 -11.5554 -11.5554 -11.5526 -11.5526 -11.3958 -11.3958 -11.3952 -11.3952 -5.6307 -5.6307 -5.6219 -5.6219 -4.2413 -4.2413 -4.1798 -4.1798 -3.6434 -3.6434 -3.6209 -3.6209 -3.3791 -3.3791 -3.3506 -3.3506 0.8176 0.8176 0.8197 0.8197 1.3793 1.3793 1.4166 1.4166 1.8678 1.8678 1.9308 1.9308 3.5580 3.5580 3.5642 3.5642 3.9617 3.9617 3.9771 3.9771 4.5848 4.5848 4.5969 4.5969 4.9343 4.9343 4.9426 4.9426 5.1648 5.1648 5.1663 5.1663 5.8979 5.8979 5.9106 5.9106 10.3837 10.3837 10.3967 10.3967 11.4051 11.4051 11.4219 11.4219 12.0448 12.0448 12.0529 12.0529 12.9122 12.9140 k = 0.5000 0.4927 0.4312 ( 6330 PWs) bands (ev): -18.9651 -18.9651 -18.9651 -18.9651 -14.1778 -14.1778 -14.1770 -14.1770 -11.5528 -11.5528 -11.5500 -11.5500 -11.3919 -11.3919 -11.3915 -11.3915 -5.6327 -5.6327 -5.6237 -5.6237 -4.2412 -4.2412 -4.1785 -4.1785 -3.6427 -3.6427 -3.6210 -3.6210 -3.3718 -3.3718 -3.3421 -3.3421 0.8184 0.8184 0.8209 0.8209 1.3614 1.3614 1.4030 1.4030 1.8514 1.8514 1.9210 1.9210 3.5653 3.5653 3.5720 3.5720 3.9595 3.9595 3.9751 3.9751 4.5742 4.5742 4.5872 4.5872 4.9381 4.9381 4.9466 4.9466 5.1623 5.1623 5.1655 5.1655 5.8858 5.8858 5.9009 5.9009 10.4051 10.4051 10.4187 10.4187 11.4218 11.4218 11.4413 11.4413 12.0682 12.0682 12.0773 12.0773 12.9258 12.9263 k = 0.5000 0.4751 0.4312 ( 6332 PWs) bands (ev): -18.9657 -18.9657 -18.9657 -18.9657 -14.1805 -14.1805 -14.1797 -14.1797 -11.5498 -11.5498 -11.5470 -11.5470 -11.3876 -11.3876 -11.3875 -11.3875 -5.6349 -5.6349 -5.6257 -5.6257 -4.2407 -4.2407 -4.1770 -4.1770 -3.6420 -3.6420 -3.6209 -3.6209 -3.3633 -3.3633 -3.3328 -3.3328 0.8190 0.8190 0.8220 0.8220 1.3418 1.3418 1.3871 1.3871 1.8334 1.8334 1.9089 1.9089 3.5739 3.5739 3.5810 3.5810 3.9575 3.9575 3.9731 3.9731 4.5629 4.5629 4.5769 4.5769 4.9410 4.9410 4.9491 4.9491 5.1597 5.1597 5.1650 5.1650 5.8722 5.8722 5.8897 5.8897 10.4287 10.4287 10.4425 10.4425 11.4423 11.4423 11.4644 11.4644 12.0945 12.0945 12.1043 12.1043 12.9434 12.9475 k = 0.5000 0.4575 0.4312 ( 6330 PWs) bands (ev): -18.9663 -18.9663 -18.9663 -18.9663 -14.1836 -14.1836 -14.1827 -14.1827 -11.5463 -11.5463 -11.5436 -11.5436 -11.3831 -11.3831 -11.3831 -11.3831 -5.6373 -5.6373 -5.6279 -5.6279 -4.2399 -4.2399 -4.1754 -4.1754 -3.6414 -3.6414 -3.6207 -3.6207 -3.3537 -3.3537 -3.3226 -3.3226 0.8194 0.8194 0.8232 0.8232 1.3207 1.3207 1.3687 1.3687 1.8141 1.8141 1.8947 1.8947 3.5838 3.5838 3.5913 3.5913 3.9554 3.9554 3.9710 3.9710 4.5511 4.5511 4.5662 4.5662 4.9429 4.9429 4.9503 4.9503 5.1571 5.1571 5.1647 5.1647 5.8573 5.8573 5.8770 5.8770 10.4538 10.4538 10.4677 10.4677 11.4670 11.4670 11.4915 11.4915 12.1238 12.1238 12.1340 12.1340 12.9626 12.9653 k = 0.5000 0.4399 0.4312 ( 6338 PWs) bands (ev): -18.9670 -18.9670 -18.9670 -18.9670 -14.1868 -14.1868 -14.1859 -14.1859 -11.5424 -11.5424 -11.5398 -11.5398 -11.3785 -11.3785 -11.3782 -11.3782 -5.6397 -5.6397 -5.6302 -5.6302 -4.2386 -4.2386 -4.1735 -4.1735 -3.6410 -3.6410 -3.6204 -3.6204 -3.3428 -3.3428 -3.3115 -3.3115 0.8194 0.8194 0.8244 0.8244 1.2982 1.2982 1.3481 1.3481 1.7937 1.7937 1.8784 1.8784 3.5950 3.5950 3.6028 3.6028 3.9534 3.9534 3.9688 3.9688 4.5390 4.5390 4.5552 4.5552 4.9438 4.9438 4.9502 4.9502 5.1544 5.1544 5.1648 5.1648 5.8413 5.8413 5.8631 5.8631 10.4799 10.4799 10.4937 10.4937 11.4960 11.4960 11.5227 11.5227 12.1559 12.1559 12.1661 12.1661 12.9847 12.9849 k = 0.5000 0.4223 0.4312 ( 6332 PWs) bands (ev): -18.9678 -18.9678 -18.9678 -18.9678 -14.1902 -14.1902 -14.1894 -14.1894 -11.5381 -11.5381 -11.5356 -11.5356 -11.3736 -11.3736 -11.3732 -11.3732 -5.6422 -5.6422 -5.6327 -5.6327 -4.2371 -4.2371 -4.1715 -4.1715 -3.6408 -3.6408 -3.6201 -3.6201 -3.3309 -3.3309 -3.2996 -3.2996 0.8192 0.8192 0.8256 0.8256 1.2746 1.2746 1.3252 1.3252 1.7723 1.7723 1.8603 1.8603 3.6073 3.6073 3.6153 3.6153 3.9515 3.9515 3.9666 3.9666 4.5268 4.5268 4.5440 4.5440 4.9438 4.9438 4.9488 4.9488 5.1517 5.1517 5.1650 5.1650 5.8242 5.8242 5.8480 5.8480 10.5064 10.5064 10.5198 10.5198 11.5295 11.5295 11.5581 11.5581 12.1907 12.1907 12.2006 12.2006 13.0101 13.0137 k = 0.5000 0.4047 0.4312 ( 6338 PWs) bands (ev): -18.9686 -18.9686 -18.9686 -18.9686 -14.1939 -14.1939 -14.1930 -14.1930 -11.5335 -11.5335 -11.5311 -11.5311 -11.3685 -11.3685 -11.3679 -11.3679 -5.6449 -5.6449 -5.6353 -5.6353 -4.2352 -4.2352 -4.1693 -4.1693 -3.6409 -3.6409 -3.6199 -3.6199 -3.3177 -3.3177 -3.2869 -3.2869 0.8185 0.8185 0.8268 0.8268 1.2499 1.2499 1.3002 1.3002 1.7503 1.7503 1.8407 1.8407 3.6206 3.6206 3.6290 3.6290 3.9498 3.9498 3.9644 3.9644 4.5146 4.5146 4.5328 4.5328 4.9428 4.9428 4.9463 4.9463 5.1491 5.1491 5.1653 5.1653 5.8063 5.8063 5.8319 5.8319 10.5329 10.5329 10.5458 10.5458 11.5673 11.5673 11.5975 11.5975 12.2282 12.2282 12.2375 12.2375 13.0367 13.0377 k = 0.5000 0.3871 0.4312 ( 6342 PWs) bands (ev): -18.9695 -18.9695 -18.9695 -18.9695 -14.1976 -14.1976 -14.1967 -14.1967 -11.5286 -11.5286 -11.5263 -11.5263 -11.3633 -11.3633 -11.3625 -11.3625 -5.6475 -5.6475 -5.6379 -5.6379 -4.2330 -4.2330 -4.1670 -4.1670 -3.6412 -3.6412 -3.6198 -3.6198 -3.3036 -3.3036 -3.2733 -3.2733 0.8173 0.8173 0.8278 0.8278 1.2244 1.2244 1.2733 1.2733 1.7279 1.7279 1.8197 1.8197 3.6350 3.6350 3.6435 3.6435 3.9481 3.9481 3.9621 3.9621 4.5025 4.5025 4.5216 4.5216 4.9410 4.9410 4.9428 4.9428 5.1465 5.1465 5.1656 5.1656 5.7878 5.7878 5.8149 5.8149 10.5589 10.5589 10.5711 10.5711 11.6093 11.6093 11.6409 11.6409 12.2685 12.2685 12.2766 12.2766 13.0657 13.0663 k = 0.5000 0.3695 0.4312 ( 6344 PWs) bands (ev): -18.9704 -18.9704 -18.9704 -18.9704 -14.2015 -14.2015 -14.2006 -14.2006 -11.5235 -11.5235 -11.5213 -11.5213 -11.3579 -11.3579 -11.3570 -11.3570 -5.6502 -5.6502 -5.6407 -5.6407 -4.2305 -4.2305 -4.1646 -4.1646 -3.6419 -3.6419 -3.6198 -3.6198 -3.2884 -3.2884 -3.2590 -3.2590 0.8155 0.8155 0.8288 0.8288 1.1982 1.1982 1.2444 1.2444 1.7055 1.7055 1.7976 1.7976 3.6502 3.6502 3.6588 3.6588 3.9466 3.9466 3.9598 3.9598 4.4905 4.4905 4.5105 4.5105 4.9382 4.9382 4.9385 4.9385 5.1441 5.1441 5.1660 5.1660 5.7686 5.7686 5.7973 5.7973 10.5841 10.5841 10.5956 10.5956 11.6552 11.6552 11.6878 11.6878 12.3115 12.3115 12.3181 12.3181 13.0969 13.0988 k = 0.5000 0.3519 0.4312 ( 6340 PWs) bands (ev): -18.9714 -18.9714 -18.9714 -18.9714 -14.2054 -14.2054 -14.2045 -14.2045 -11.5181 -11.5181 -11.5160 -11.5160 -11.3525 -11.3525 -11.3514 -11.3514 -5.6529 -5.6529 -5.6434 -5.6434 -4.2278 -4.2278 -4.1622 -4.1622 -3.6427 -3.6427 -3.6201 -3.6201 -3.2724 -3.2724 -3.2440 -3.2440 0.8130 0.8130 0.8296 0.8296 1.1717 1.1717 1.2140 1.2140 1.6831 1.6831 1.7747 1.7747 3.6662 3.6662 3.6747 3.6747 3.9454 3.9454 3.9575 3.9575 4.4787 4.4787 4.4995 4.4995 4.9336 4.9336 4.9348 4.9348 5.1418 5.1418 5.1663 5.1663 5.7491 5.7491 5.7790 5.7790 10.6083 10.6083 10.6190 10.6190 11.7047 11.7047 11.7377 11.7377 12.3572 12.3572 12.3619 12.3619 13.1278 13.1285 k = 0.5000 0.3343 0.4312 ( 6340 PWs) bands (ev): -18.9724 -18.9724 -18.9723 -18.9723 -14.2094 -14.2094 -14.2085 -14.2085 -11.5126 -11.5126 -11.5106 -11.5106 -11.3470 -11.3470 -11.3458 -11.3458 -5.6555 -5.6555 -5.6462 -5.6462 -4.2247 -4.2247 -4.1597 -4.1597 -3.6439 -3.6439 -3.6206 -3.6206 -3.2556 -3.2556 -3.2284 -3.2284 0.8097 0.8097 0.8302 0.8302 1.1450 1.1450 1.1821 1.1821 1.6611 1.6611 1.7513 1.7513 3.6828 3.6828 3.6910 3.6910 3.9445 3.9445 3.9553 3.9553 4.4671 4.4671 4.4887 4.4887 4.9282 4.9282 4.9307 4.9307 5.1396 5.1396 5.1665 5.1665 5.7294 5.7294 5.7604 5.7604 10.6314 10.6314 10.6412 10.6412 11.7571 11.7571 11.7901 11.7901 12.4058 12.4058 12.4079 12.4079 13.1601 13.1618 k = 0.5000 0.3167 0.4312 ( 6334 PWs) bands (ev): -18.9733 -18.9733 -18.9733 -18.9733 -14.2135 -14.2135 -14.2126 -14.2126 -11.5069 -11.5069 -11.5051 -11.5051 -11.3415 -11.3415 -11.3402 -11.3402 -5.6581 -5.6581 -5.6490 -5.6490 -4.2215 -4.2215 -4.1572 -4.1572 -3.6452 -3.6452 -3.6213 -3.6213 -3.2382 -3.2382 -3.2124 -3.2124 0.8053 0.8053 0.8305 0.8305 1.1186 1.1186 1.1492 1.1492 1.6397 1.6397 1.7277 1.7277 3.6998 3.6998 3.7074 3.7074 3.9440 3.9440 3.9533 3.9533 4.4557 4.4557 4.4779 4.4779 4.9225 4.9225 4.9261 4.9261 5.1377 5.1377 5.1666 5.1666 5.7096 5.7096 5.7414 5.7414 10.6532 10.6532 10.6622 10.6622 11.8118 11.8118 11.8442 11.8442 12.4562 12.4562 12.4572 12.4572 13.1929 13.1992 k = 0.5000 0.2991 0.4312 ( 6338 PWs) bands (ev): -18.9743 -18.9743 -18.9743 -18.9743 -14.2175 -14.2175 -14.2166 -14.2166 -11.5012 -11.5012 -11.4995 -11.4995 -11.3361 -11.3361 -11.3346 -11.3346 -5.6606 -5.6606 -5.6518 -5.6518 -4.2180 -4.2180 -4.1548 -4.1548 -3.6467 -3.6467 -3.6222 -3.6222 -3.2204 -3.2204 -3.1959 -3.1959 0.7999 0.7999 0.8304 0.8304 1.0928 1.0928 1.1156 1.1156 1.6191 1.6191 1.7041 1.7041 3.7169 3.7169 3.7238 3.7238 3.9441 3.9441 3.9516 3.9516 4.4445 4.4445 4.4673 4.4673 4.9167 4.9167 4.9212 4.9212 5.1360 5.1360 5.1665 5.1665 5.6899 5.6899 5.7224 5.7224 10.6737 10.6737 10.6820 10.6820 11.8681 11.8681 11.8995 11.8995 12.5066 12.5066 12.5112 12.5112 13.2247 13.2253 k = 0.5000 0.2815 0.4312 ( 6334 PWs) bands (ev): -18.9753 -18.9753 -18.9753 -18.9753 -14.2214 -14.2214 -14.2206 -14.2206 -11.4954 -11.4954 -11.4938 -11.4938 -11.3307 -11.3307 -11.3292 -11.3292 -5.6631 -5.6631 -5.6545 -5.6545 -4.2143 -4.2143 -4.1524 -4.1524 -3.6482 -3.6482 -3.6233 -3.6233 -3.2022 -3.2022 -3.1792 -3.1792 0.7931 0.7931 0.8298 0.8298 1.0680 1.0680 1.0819 1.0819 1.5993 1.5993 1.6807 1.6807 3.7339 3.7339 3.7398 3.7398 3.9450 3.9450 3.9503 3.9503 4.4336 4.4336 4.4567 4.4567 4.9110 4.9110 4.9161 4.9161 5.1345 5.1345 5.1663 5.1663 5.6704 5.6704 5.7033 5.7033 10.6930 10.6930 10.7005 10.7005 11.9253 11.9253 11.9551 11.9551 12.5588 12.5588 12.5677 12.5677 13.2557 13.2557 k = 0.5000 0.2639 0.4312 ( 6336 PWs) bands (ev): -18.9763 -18.9763 -18.9763 -18.9763 -14.2253 -14.2253 -14.2245 -14.2245 -11.4897 -11.4897 -11.4882 -11.4882 -11.3254 -11.3254 -11.3239 -11.3239 -5.6654 -5.6654 -5.6571 -5.6571 -4.2104 -4.2104 -4.1502 -4.1502 -3.6499 -3.6499 -3.6247 -3.6247 -3.1839 -3.1839 -3.1624 -3.1624 0.7849 0.7849 0.8283 0.8283 1.0445 1.0445 1.0485 1.0485 1.5806 1.5806 1.6579 1.6579 3.7504 3.7504 3.7550 3.7550 3.9468 3.9468 3.9496 3.9496 4.4228 4.4228 4.4462 4.4462 4.9054 4.9054 4.9109 4.9109 5.1333 5.1333 5.1659 5.1659 5.6512 5.6512 5.6843 5.6843 10.7112 10.7112 10.7180 10.7180 11.9827 11.9827 12.0105 12.0105 12.6126 12.6126 12.6263 12.6263 13.2805 13.2808 k = 0.5000 0.2463 0.4312 ( 6352 PWs) bands (ev): -18.9773 -18.9773 -18.9773 -18.9773 -14.2291 -14.2291 -14.2283 -14.2283 -11.4840 -11.4840 -11.4827 -11.4827 -11.3203 -11.3203 -11.3187 -11.3187 -5.6676 -5.6676 -5.6597 -5.6597 -4.2064 -4.2064 -4.1481 -4.1481 -3.6515 -3.6515 -3.6262 -3.6262 -3.1657 -3.1657 -3.1457 -3.1457 0.7751 0.7751 0.8257 0.8257 1.0161 1.0161 1.0227 1.0227 1.5629 1.5629 1.6357 1.6357 3.7662 3.7662 3.7691 3.7691 3.9497 3.9497 3.9497 3.9497 4.4122 4.4122 4.4358 4.4358 4.9001 4.9001 4.9057 4.9057 5.1322 5.1322 5.1654 5.1654 5.6325 5.6325 5.6656 5.6656 10.7281 10.7281 10.7343 10.7343 12.0397 12.0397 12.0651 12.0651 12.6673 12.6673 12.6865 12.6865 13.3030 13.3032 k = 0.5000 0.2288 0.4312 ( 6354 PWs) bands (ev): -18.9783 -18.9783 -18.9782 -18.9782 -14.2328 -14.2328 -14.2320 -14.2320 -11.4785 -11.4785 -11.4773 -11.4773 -11.3153 -11.3153 -11.3138 -11.3138 -5.6697 -5.6697 -5.6622 -5.6622 -4.2023 -4.2023 -4.1461 -4.1461 -3.6530 -3.6530 -3.6280 -3.6280 -3.1477 -3.1477 -3.1292 -3.1292 0.7637 0.7637 0.8214 0.8214 0.9858 0.9858 1.0030 1.0030 1.5465 1.5465 1.6144 1.6144 3.7808 3.7808 3.7819 3.7819 3.9510 3.9510 3.9539 3.9539 4.4020 4.4020 4.4254 4.4254 4.8951 4.8951 4.9008 4.9008 5.1314 5.1314 5.1646 5.1646 5.6145 5.6145 5.6473 5.6473 10.7440 10.7440 10.7495 10.7495 12.0958 12.0958 12.1185 12.1185 12.7221 12.7221 12.7475 12.7475 13.3227 13.3230 k = 0.5000 0.2112 0.4312 ( 6354 PWs) bands (ev): -18.9792 -18.9792 -18.9792 -18.9792 -14.2363 -14.2363 -14.2356 -14.2356 -11.4732 -11.4732 -11.4721 -11.4721 -11.3106 -11.3106 -11.3091 -11.3091 -5.6716 -5.6716 -5.6645 -5.6645 -4.1980 -4.1980 -4.1444 -4.1444 -3.6545 -3.6545 -3.6298 -3.6298 -3.1301 -3.1301 -3.1131 -3.1131 0.7508 0.7508 0.8145 0.8145 0.9588 0.9588 0.9855 0.9855 1.5313 1.5313 1.5941 1.5941 3.7930 3.7930 3.7939 3.7939 3.9535 3.9535 3.9594 3.9594 4.3920 4.3920 4.4152 4.4152 4.8907 4.8907 4.8962 4.8962 5.1308 5.1308 5.1637 5.1637 5.5973 5.5973 5.6295 5.6295 10.7589 10.7589 10.7638 10.7638 12.1505 12.1505 12.1703 12.1703 12.7761 12.7761 12.8082 12.8082 13.3399 13.3400 k = 0.5000 0.1936 0.4312 ( 6342 PWs) bands (ev): -18.9800 -18.9800 -18.9800 -18.9800 -14.2396 -14.2396 -14.2390 -14.2390 -11.4680 -11.4680 -11.4670 -11.4670 -11.3061 -11.3061 -11.3046 -11.3046 -5.6734 -5.6734 -5.6668 -5.6668 -4.1937 -4.1937 -4.1430 -4.1430 -3.6558 -3.6558 -3.6318 -3.6318 -3.1130 -3.1130 -3.0975 -3.0975 0.7367 0.7367 0.8042 0.8042 0.9362 0.9362 0.9703 0.9703 1.5173 1.5173 1.5749 1.5749 3.8024 3.8024 3.8052 3.8052 3.9575 3.9575 3.9662 3.9662 4.3824 4.3824 4.4052 4.4052 4.8867 4.8867 4.8919 4.8919 5.1304 5.1304 5.1626 5.1626 5.5810 5.5810 5.6122 5.6122 10.7726 10.7726 10.7770 10.7770 12.2033 12.2033 12.2201 12.2201 12.8281 12.8281 12.8671 12.8671 13.3549 13.3550 k = 0.5000 0.1760 0.4312 ( 6354 PWs) bands (ev): -18.9809 -18.9809 -18.9809 -18.9809 -14.2428 -14.2428 -14.2421 -14.2421 -11.4632 -11.4632 -11.4623 -11.4623 -11.3020 -11.3020 -11.3005 -11.3005 -5.6751 -5.6751 -5.6689 -5.6689 -4.1893 -4.1893 -4.1419 -4.1419 -3.6570 -3.6570 -3.6339 -3.6339 -3.0967 -3.0967 -3.0827 -3.0827 0.7218 0.7218 0.7899 0.7899 0.9189 0.9189 0.9572 0.9572 1.5047 1.5047 1.5570 1.5570 3.8101 3.8101 3.8144 3.8144 3.9630 3.9630 3.9740 3.9740 4.3733 4.3733 4.3954 4.3954 4.8832 4.8832 4.8880 4.8880 5.1302 5.1302 5.1612 5.1612 5.5657 5.5657 5.5958 5.5958 10.7853 10.7853 10.7892 10.7892 12.2540 12.2540 12.2678 12.2678 12.8767 12.8767 12.9227 12.9227 13.3683 13.3683 k = 0.5000 0.1584 0.4312 ( 6356 PWs) bands (ev): -18.9816 -18.9816 -18.9816 -18.9816 -14.2457 -14.2457 -14.2451 -14.2451 -11.4586 -11.4586 -11.4579 -11.4579 -11.2981 -11.2981 -11.2967 -11.2967 -5.6765 -5.6765 -5.6709 -5.6709 -4.1849 -4.1849 -4.1410 -4.1410 -3.6579 -3.6579 -3.6361 -3.6361 -3.0813 -3.0813 -3.0687 -3.0687 0.7067 0.7067 0.7721 0.7721 0.9069 0.9069 0.9461 0.9461 1.4935 1.4935 1.5404 1.5404 3.8162 3.8162 3.8216 3.8216 3.9699 3.9699 3.9826 3.9826 4.3648 4.3648 4.3860 4.3860 4.8802 4.8802 4.8845 4.8845 5.1302 5.1302 5.1597 5.1597 5.5517 5.5517 5.5801 5.5801 10.7970 10.7970 10.8004 10.8004 12.3021 12.3021 12.3129 12.3129 12.9207 12.9207 12.9731 12.9731 13.3809 13.3809 k = 0.5000 0.1408 0.4312 ( 6352 PWs) bands (ev): -18.9823 -18.9823 -18.9823 -18.9823 -14.2483 -14.2483 -14.2478 -14.2478 -11.4544 -11.4544 -11.4538 -11.4538 -11.2945 -11.2945 -11.2932 -11.2932 -5.6778 -5.6778 -5.6727 -5.6727 -4.1805 -4.1805 -4.1406 -4.1406 -3.6586 -3.6586 -3.6384 -3.6384 -3.0670 -3.0670 -3.0558 -3.0558 0.6918 0.6918 0.7521 0.7521 0.8992 0.8992 0.9366 0.9366 1.4836 1.4836 1.5251 1.5251 3.8209 3.8209 3.8270 3.8270 3.9779 3.9779 3.9914 3.9914 4.3571 4.3571 4.3770 4.3770 4.8776 4.8776 4.8815 4.8815 5.1304 5.1304 5.1580 5.1580 5.5390 5.5390 5.5655 5.5655 10.8076 10.8076 10.8106 10.8106 12.3473 12.3473 12.3554 12.3554 12.9590 12.9590 13.0164 13.0164 13.3931 13.3931 k = 0.5000 0.1232 0.4312 ( 6350 PWs) bands (ev): -18.9830 -18.9830 -18.9830 -18.9830 -14.2507 -14.2507 -14.2502 -14.2502 -11.4506 -11.4506 -11.4501 -11.4501 -11.2913 -11.2913 -11.2901 -11.2901 -5.6789 -5.6789 -5.6744 -5.6744 -4.1762 -4.1762 -4.1405 -4.1405 -3.6590 -3.6590 -3.6406 -3.6406 -3.0538 -3.0538 -3.0441 -3.0441 0.6777 0.6777 0.7314 0.7314 0.8946 0.8946 0.9286 0.9286 1.4751 1.4751 1.5113 1.5113 3.8245 3.8245 3.8307 3.8307 3.9864 3.9864 4.0001 4.0001 4.3502 4.3502 4.3686 4.3686 4.8756 4.8756 4.8789 4.8789 5.1309 5.1309 5.1561 5.1561 5.5277 5.5277 5.5520 5.5520 10.8171 10.8171 10.8196 10.8196 12.3891 12.3891 12.3948 12.3948 12.9911 12.9911 13.0510 13.0510 13.4050 13.4050 k = 0.5000 0.1056 0.4312 ( 6350 PWs) bands (ev): -18.9835 -18.9835 -18.9835 -18.9835 -14.2528 -14.2528 -14.2524 -14.2524 -11.4473 -11.4473 -11.4468 -11.4468 -11.2885 -11.2885 -11.2874 -11.2874 -5.6798 -5.6798 -5.6759 -5.6759 -4.1720 -4.1720 -4.1407 -4.1407 -3.6592 -3.6592 -3.6429 -3.6429 -3.0420 -3.0420 -3.0338 -3.0338 0.6649 0.6649 0.7112 0.7112 0.8920 0.8920 0.9217 0.9217 1.4681 1.4681 1.4990 1.4990 3.8273 3.8273 3.8331 3.8331 3.9951 3.9951 4.0082 4.0082 4.3443 4.3443 4.3608 4.3608 4.8739 4.8739 4.8767 4.8767 5.1315 5.1315 5.1540 5.1540 5.5181 5.5181 5.5397 5.5397 10.8255 10.8255 10.8276 10.8276 12.4272 12.4272 12.4307 12.4307 13.0171 13.0171 13.0764 13.0764 13.4160 13.4160 k = 0.5000 0.0880 0.4312 ( 6350 PWs) bands (ev): -18.9840 -18.9840 -18.9840 -18.9840 -14.2545 -14.2545 -14.2542 -14.2542 -11.4444 -11.4444 -11.4440 -11.4440 -11.2860 -11.2860 -11.2851 -11.2851 -5.6805 -5.6805 -5.6772 -5.6772 -4.1679 -4.1679 -4.1414 -4.1414 -3.6591 -3.6591 -3.6451 -3.6451 -3.0317 -3.0317 -3.0249 -3.0249 0.6539 0.6539 0.6925 0.6925 0.8909 0.8909 0.9159 0.9159 1.4624 1.4624 1.4881 1.4881 3.8294 3.8294 3.8346 3.8346 4.0034 4.0034 4.0153 4.0153 4.3394 4.3394 4.3538 4.3538 4.8726 4.8726 4.8749 4.8749 5.1324 5.1324 5.1518 5.1518 5.5101 5.5101 5.5287 5.5287 10.8326 10.8326 10.8344 10.8344 12.4610 12.4610 12.4627 12.4627 13.0376 13.0376 13.0930 13.0930 13.4254 13.4254 k = 0.5000 0.0704 0.4312 ( 6358 PWs) bands (ev): -18.9844 -18.9844 -18.9844 -18.9844 -14.2560 -14.2560 -14.2557 -14.2557 -11.4419 -11.4419 -11.4416 -11.4416 -11.2840 -11.2840 -11.2833 -11.2833 -5.6811 -5.6811 -5.6784 -5.6784 -4.1640 -4.1640 -4.1425 -4.1425 -3.6587 -3.6587 -3.6472 -3.6472 -3.0230 -3.0230 -3.0175 -3.0175 0.6451 0.6451 0.6759 0.6759 0.8908 0.8908 0.9108 0.9108 1.4583 1.4583 1.4787 1.4787 3.8310 3.8310 3.8354 3.8354 4.0110 4.0110 4.0212 4.0212 4.3357 4.3357 4.3477 4.3477 4.8717 4.8717 4.8734 4.8734 5.1336 5.1336 5.1495 5.1495 5.5038 5.5038 5.5191 5.5191 10.8386 10.8386 10.8400 10.8400 12.4899 12.4899 12.4903 12.4903 13.0536 13.0536 13.1020 13.1020 13.4329 13.4329 k = 0.5000 0.0528 0.4312 ( 6354 PWs) bands (ev): -18.9847 -18.9847 -18.9847 -18.9847 -14.2572 -14.2572 -14.2570 -14.2570 -11.4400 -11.4400 -11.4398 -11.4398 -11.2824 -11.2824 -11.2818 -11.2818 -5.6814 -5.6814 -5.6794 -5.6794 -4.1602 -4.1602 -4.1440 -4.1440 -3.6580 -3.6580 -3.6493 -3.6493 -3.0160 -3.0160 -3.0119 -3.0119 0.6387 0.6387 0.6618 0.6618 0.8914 0.8914 0.9064 0.9064 1.4556 1.4556 1.4709 1.4709 3.8323 3.8323 3.8358 3.8358 4.0175 4.0175 4.0256 4.0256 4.3332 4.3332 4.3425 4.3425 4.8710 4.8710 4.8723 4.8723 5.1349 5.1349 5.1472 5.1472 5.4994 5.4994 5.5111 5.5111 10.8433 10.8433 10.8444 10.8444 12.5128 12.5128 12.5131 12.5131 13.0663 13.0663 13.1050 13.1050 13.4390 13.4390 k = 0.5000 0.0352 0.4312 ( 6348 PWs) bands (ev): -18.9850 -18.9850 -18.9850 -18.9850 -14.2580 -14.2580 -14.2578 -14.2578 -11.4386 -11.4386 -11.4385 -11.4385 -11.2812 -11.2812 -11.2808 -11.2808 -5.6815 -5.6815 -5.6802 -5.6802 -4.1567 -4.1567 -4.1458 -4.1458 -3.6571 -3.6571 -3.6512 -3.6512 -3.0107 -3.0107 -3.0080 -3.0080 0.6351 0.6351 0.6504 0.6504 0.8926 0.8926 0.9027 0.9027 1.4544 1.4544 1.4645 1.4645 3.8334 3.8334 3.8357 3.8357 4.0228 4.0228 4.0284 4.0284 4.3319 4.3319 4.3382 4.3382 4.8706 4.8706 4.8714 4.8714 5.1365 5.1365 5.1448 5.1448 5.4968 5.4968 5.5047 5.5047 10.8468 10.8468 10.8475 10.8475 12.5296 12.5296 12.5301 12.5301 13.0766 13.0766 13.1036 13.1036 13.4444 13.4444 k = 0.5000 0.0176 0.4312 ( 6346 PWs) bands (ev): -18.9851 -18.9851 -18.9851 -18.9851 -14.2585 -14.2585 -14.2584 -14.2584 -11.4378 -11.4378 -11.4377 -11.4377 -11.2804 -11.2804 -11.2802 -11.2802 -5.6815 -5.6815 -5.6808 -5.6808 -4.1535 -4.1535 -4.1480 -4.1480 -3.6559 -3.6559 -3.6530 -3.6530 -3.0073 -3.0073 -3.0059 -3.0059 0.6344 0.6344 0.6420 0.6420 0.8944 0.8944 0.8994 0.8994 1.4546 1.4546 1.4597 1.4597 3.8342 3.8342 3.8354 3.8354 4.0267 4.0267 4.0295 4.0295 4.3318 4.3318 4.3350 4.3350 4.8704 4.8704 4.8709 4.8709 5.1384 5.1384 5.1425 5.1425 5.4960 5.4960 5.5001 5.5001 10.8489 10.8489 10.8493 10.8493 12.5401 12.5401 12.5405 12.5405 13.0854 13.0854 13.0993 13.0993 13.4502 13.4502 k = 0.5000-0.0000 0.4312 ( 6344 PWs) bands (ev): -18.9851 -18.9851 -18.9851 -18.9851 -14.2586 -14.2586 -14.2586 -14.2586 -11.4375 -11.4375 -11.4375 -11.4375 -11.2801 -11.2801 -11.2801 -11.2801 -5.6812 -5.6812 -5.6812 -5.6812 -4.1506 -4.1506 -4.1506 -4.1506 -3.6545 -3.6545 -3.6545 -3.6545 -3.0057 -3.0057 -3.0057 -3.0057 0.6367 0.6367 0.6367 0.6367 0.8967 0.8967 0.8967 0.8967 1.4564 1.4564 1.4564 1.4564 3.8349 3.8349 3.8349 3.8349 4.0289 4.0289 4.0289 4.0289 4.3329 4.3329 4.3329 4.3329 4.8705 4.8705 4.8705 4.8705 5.1404 5.1404 5.1404 5.1404 5.4971 5.4971 5.4971 5.4971 10.8498 10.8498 10.8498 10.8498 12.5438 12.5438 12.5438 12.5438 13.0930 13.0930 13.0930 13.0930 13.4568 13.4568 k = 0.5000-0.0000 0.4312 ( 6344 PWs) bands (ev): -18.9851 -18.9851 -18.9851 -18.9851 -14.2586 -14.2586 -14.2586 -14.2586 -11.4375 -11.4375 -11.4375 -11.4375 -11.2801 -11.2801 -11.2801 -11.2801 -5.6812 -5.6812 -5.6812 -5.6812 -4.1506 -4.1506 -4.1506 -4.1506 -3.6545 -3.6545 -3.6545 -3.6545 -3.0057 -3.0057 -3.0057 -3.0057 0.6367 0.6367 0.6367 0.6367 0.8967 0.8967 0.8967 0.8967 1.4564 1.4564 1.4564 1.4564 3.8349 3.8349 3.8349 3.8349 4.0289 4.0289 4.0289 4.0289 4.3329 4.3329 4.3329 4.3329 4.8705 4.8705 4.8705 4.8705 5.1404 5.1404 5.1404 5.1404 5.4971 5.4971 5.4971 5.4971 10.8498 10.8498 10.8498 10.8498 12.5438 12.5438 12.5438 12.5438 13.0930 13.0930 13.0930 13.0930 13.4568 13.4568 k = 0.5000-0.0000 0.4132 ( 6344 PWs) bands (ev): -18.9852 -18.9852 -18.9852 -18.9852 -14.2585 -14.2585 -14.2585 -14.2585 -11.4375 -11.4375 -11.4374 -11.4374 -11.2804 -11.2804 -11.2802 -11.2802 -5.6828 -5.6828 -5.6794 -5.6794 -4.1540 -4.1540 -4.1469 -4.1469 -3.6550 -3.6550 -3.6542 -3.6542 -3.0080 -3.0080 -3.0038 -3.0038 0.6354 0.6354 0.6381 0.6381 0.8963 0.8963 0.8969 0.8969 1.4565 1.4565 1.4576 1.4576 3.8345 3.8345 3.8360 3.8360 4.0275 4.0275 4.0297 4.0297 4.3329 4.3329 4.3334 4.3334 4.8688 4.8688 4.8698 4.8698 5.1389 5.1389 5.1420 5.1420 5.4963 5.4963 5.4981 5.4981 10.8503 10.8503 10.8504 10.8504 12.5440 12.5440 12.5448 12.5448 13.0901 13.0901 13.0938 13.0938 13.4548 13.4560 k = 0.5000-0.0000 0.3952 ( 6340 PWs) bands (ev): -18.9852 -18.9852 -18.9852 -18.9852 -14.2582 -14.2582 -14.2582 -14.2582 -11.4374 -11.4374 -11.4374 -11.4374 -11.2810 -11.2810 -11.2807 -11.2807 -5.6842 -5.6842 -5.6775 -5.6775 -4.1570 -4.1570 -4.1429 -4.1429 -3.6556 -3.6556 -3.6539 -3.6539 -3.0106 -3.0106 -3.0024 -3.0024 0.6342 0.6342 0.6395 0.6395 0.8958 0.8958 0.8968 0.8968 1.4579 1.4579 1.4600 1.4600 3.8349 3.8349 3.8378 3.8378 4.0256 4.0256 4.0299 4.0299 4.3334 4.3334 4.3345 4.3345 4.8648 4.8648 4.8668 4.8668 5.1378 5.1378 5.1438 5.1438 5.4957 5.4957 5.4991 5.4991 10.8520 10.8520 10.8523 10.8523 12.5455 12.5455 12.5471 12.5471 13.0851 13.0851 13.0925 13.0925 13.4513 13.4513 k = 0.5000-0.0000 0.3773 ( 6344 PWs) bands (ev): -18.9852 -18.9852 -18.9852 -18.9852 -14.2578 -14.2578 -14.2577 -14.2577 -11.4373 -11.4373 -11.4373 -11.4373 -11.2821 -11.2821 -11.2816 -11.2816 -5.6853 -5.6853 -5.6754 -5.6754 -4.1595 -4.1595 -4.1388 -4.1388 -3.6562 -3.6562 -3.6537 -3.6537 -3.0137 -3.0137 -3.0014 -3.0014 0.6332 0.6332 0.6411 0.6411 0.8952 0.8952 0.8966 0.8966 1.4605 1.4605 1.4635 1.4635 3.8361 3.8361 3.8404 3.8404 4.0230 4.0230 4.0294 4.0294 4.3345 4.3345 4.3362 4.3362 4.8587 4.8587 4.8614 4.8614 5.1369 5.1369 5.1457 5.1457 5.4952 5.4952 5.5002 5.5002 10.8548 10.8548 10.8554 10.8554 12.5482 12.5482 12.5506 12.5506 13.0780 13.0780 13.0890 13.0890 13.4464 13.4464 k = 0.5000-0.0000 0.3593 ( 6352 PWs) bands (ev): -18.9853 -18.9853 -18.9853 -18.9853 -14.2571 -14.2571 -14.2570 -14.2570 -11.4372 -11.4372 -11.4372 -11.4372 -11.2835 -11.2835 -11.2829 -11.2829 -5.6862 -5.6862 -5.6731 -5.6731 -4.1616 -4.1616 -4.1344 -4.1344 -3.6569 -3.6569 -3.6537 -3.6537 -3.0170 -3.0170 -3.0009 -3.0009 0.6323 0.6323 0.6426 0.6426 0.8943 0.8943 0.8962 0.8962 1.4643 1.4643 1.4682 1.4682 3.8379 3.8379 3.8437 3.8437 4.0200 4.0200 4.0284 4.0284 4.3362 4.3362 4.3384 4.3384 4.8505 4.8505 4.8538 4.8538 5.1362 5.1362 5.1475 5.1475 5.4948 5.4948 5.5013 5.5013 10.8589 10.8589 10.8595 10.8595 12.5521 12.5521 12.5553 12.5553 13.0688 13.0688 13.0834 13.0834 13.4401 13.4402 k = 0.5000-0.0000 0.3413 ( 6358 PWs) bands (ev): -18.9853 -18.9853 -18.9853 -18.9853 -14.2563 -14.2563 -14.2561 -14.2561 -11.4371 -11.4371 -11.4370 -11.4370 -11.2852 -11.2852 -11.2845 -11.2845 -5.6867 -5.6867 -5.6709 -5.6709 -4.1632 -4.1632 -4.1300 -4.1300 -3.6576 -3.6576 -3.6538 -3.6538 -3.0205 -3.0205 -3.0009 -3.0009 0.6317 0.6317 0.6441 0.6441 0.8934 0.8934 0.8955 0.8955 1.4693 1.4693 1.4740 1.4740 3.8405 3.8405 3.8476 3.8476 4.0164 4.0164 4.0267 4.0267 4.3384 4.3384 4.3412 4.3412 4.8405 4.8405 4.8443 4.8443 5.1356 5.1356 5.1490 5.1490 5.4946 5.4946 5.5024 5.5024 10.8640 10.8640 10.8648 10.8648 12.5570 12.5570 12.5610 12.5610 13.0577 13.0577 13.0758 13.0758 13.4325 13.4325 k = 0.5000-0.0000 0.3234 ( 6366 PWs) bands (ev): -18.9854 -18.9854 -18.9854 -18.9854 -14.2553 -14.2553 -14.2551 -14.2551 -11.4369 -11.4369 -11.4368 -11.4368 -11.2873 -11.2873 -11.2864 -11.2864 -5.6870 -5.6870 -5.6686 -5.6686 -4.1642 -4.1642 -4.1255 -4.1255 -3.6585 -3.6585 -3.6540 -3.6540 -3.0242 -3.0242 -3.0013 -3.0013 0.6313 0.6313 0.6456 0.6456 0.8922 0.8922 0.8945 0.8945 1.4753 1.4753 1.4809 1.4809 3.8437 3.8437 3.8520 3.8520 4.0124 4.0124 4.0244 4.0244 4.3412 4.3412 4.3446 4.3446 4.8290 4.8290 4.8330 4.8330 5.1351 5.1351 5.1502 5.1502 5.4945 5.4945 5.5035 5.5035 10.8703 10.8703 10.8712 10.8712 12.5628 12.5628 12.5676 12.5676 13.0446 13.0446 13.0662 13.0662 13.4235 13.4235 k = 0.5000-0.0000 0.3054 ( 6368 PWs) bands (ev): -18.9855 -18.9855 -18.9855 -18.9855 -14.2542 -14.2542 -14.2540 -14.2540 -11.4367 -11.4367 -11.4366 -11.4366 -11.2896 -11.2896 -11.2887 -11.2887 -5.6870 -5.6870 -5.6663 -5.6663 -4.1647 -4.1647 -4.1211 -4.1211 -3.6594 -3.6594 -3.6544 -3.6544 -3.0279 -3.0279 -3.0021 -3.0021 0.6312 0.6312 0.6470 0.6470 0.8908 0.8908 0.8933 0.8933 1.4824 1.4824 1.4886 1.4886 3.8474 3.8474 3.8570 3.8570 4.0081 4.0081 4.0216 4.0216 4.3446 4.3446 4.3486 4.3486 4.8161 4.8161 4.8202 4.8202 5.1345 5.1345 5.1511 5.1511 5.4946 5.4946 5.5046 5.5046 10.8776 10.8776 10.8785 10.8785 12.5695 12.5695 12.5750 12.5750 13.0298 13.0298 13.0547 13.0547 13.4132 13.4132 k = 0.5000-0.0000 0.2875 ( 6364 PWs) bands (ev): -18.9856 -18.9856 -18.9856 -18.9856 -14.2530 -14.2530 -14.2528 -14.2528 -11.4365 -11.4365 -11.4364 -11.4364 -11.2922 -11.2922 -11.2912 -11.2912 -5.6867 -5.6867 -5.6641 -5.6641 -4.1645 -4.1645 -4.1169 -4.1169 -3.6604 -3.6604 -3.6550 -3.6550 -3.0316 -3.0316 -3.0034 -3.0034 0.6314 0.6314 0.6484 0.6484 0.8893 0.8893 0.8919 0.8919 1.4904 1.4904 1.4971 1.4971 3.8516 3.8516 3.8623 3.8623 4.0034 4.0034 4.0184 4.0184 4.3486 4.3486 4.3532 4.3532 4.8021 4.8021 4.8061 4.8061 5.1339 5.1339 5.1514 5.1514 5.4948 5.4948 5.5055 5.5055 10.8858 10.8858 10.8868 10.8868 12.5767 12.5767 12.5830 12.5830 13.0133 13.0133 13.0413 13.0413 13.4016 13.4017 k = 0.5000-0.0000 0.2695 ( 6368 PWs) bands (ev): -18.9858 -18.9858 -18.9858 -18.9858 -14.2517 -14.2517 -14.2514 -14.2514 -11.4362 -11.4362 -11.4361 -11.4361 -11.2950 -11.2950 -11.2939 -11.2939 -5.6861 -5.6861 -5.6619 -5.6619 -4.1638 -4.1638 -4.1128 -4.1128 -3.6615 -3.6615 -3.6558 -3.6558 -3.0352 -3.0352 -3.0050 -3.0050 0.6318 0.6318 0.6497 0.6497 0.8876 0.8876 0.8902 0.8902 1.4993 1.4993 1.5063 1.5063 3.8563 3.8563 3.8680 3.8680 3.9985 3.9985 4.0147 4.0147 4.3531 4.3531 4.3584 4.3584 4.7872 4.7872 4.7910 4.7910 5.1330 5.1330 5.1512 5.1512 5.4950 5.4950 5.5063 5.5063 10.8949 10.8949 10.8960 10.8960 12.5844 12.5844 12.5914 12.5914 12.9953 12.9953 13.0260 13.0260 13.3890 13.3890 k = 0.5000-0.0000 0.2515 ( 6354 PWs) bands (ev): -18.9859 -18.9859 -18.9859 -18.9859 -14.2502 -14.2502 -14.2500 -14.2500 -11.4359 -11.4359 -11.4358 -11.4358 -11.2979 -11.2979 -11.2968 -11.2968 -5.6852 -5.6852 -5.6599 -5.6599 -4.1625 -4.1625 -4.1089 -4.1089 -3.6627 -3.6627 -3.6568 -3.6568 -3.0387 -3.0387 -3.0069 -3.0069 0.6324 0.6324 0.6510 0.6510 0.8857 0.8857 0.8883 0.8883 1.5087 1.5087 1.5160 1.5160 3.8613 3.8613 3.8739 3.8739 3.9935 3.9935 4.0106 4.0106 4.3583 4.3583 4.3641 4.3641 4.7716 4.7716 4.7750 4.7750 5.1321 5.1321 5.1505 5.1505 5.4953 5.4953 5.5069 5.5069 10.9048 10.9048 10.9058 10.9058 12.5922 12.5922 12.5999 12.5999 12.9760 12.9760 13.0091 13.0091 13.3754 13.3754 k = 0.5000-0.0000 0.2336 ( 6358 PWs) bands (ev): -18.9860 -18.9860 -18.9860 -18.9860 -14.2488 -14.2488 -14.2485 -14.2485 -11.4356 -11.4356 -11.4355 -11.4355 -11.3010 -11.3010 -11.2998 -11.2998 -5.6841 -5.6841 -5.6581 -5.6581 -4.1607 -4.1607 -4.1054 -4.1054 -3.6639 -3.6639 -3.6579 -3.6579 -3.0419 -3.0419 -3.0091 -3.0091 0.6334 0.6334 0.6522 0.6522 0.8837 0.8837 0.8861 0.8861 1.5187 1.5187 1.5261 1.5261 3.8665 3.8665 3.8798 3.8798 3.9885 3.9885 4.0063 4.0063 4.3639 4.3639 4.3703 4.3703 4.7554 4.7554 4.7583 4.7583 5.1310 5.1310 5.1494 5.1494 5.4957 5.4957 5.5074 5.5074 10.9154 10.9154 10.9163 10.9163 12.6000 12.6000 12.6083 12.6083 12.9556 12.9556 12.9907 12.9907 13.3611 13.3612 k = 0.5000-0.0000 0.2156 ( 6352 PWs) bands (ev): -18.9861 -18.9861 -18.9861 -18.9861 -14.2473 -14.2473 -14.2470 -14.2470 -11.4353 -11.4353 -11.4352 -11.4352 -11.3041 -11.3041 -11.3029 -11.3029 -5.6827 -5.6827 -5.6565 -5.6565 -4.1583 -4.1583 -4.1022 -4.1022 -3.6652 -3.6652 -3.6593 -3.6593 -3.0448 -3.0448 -3.0116 -3.0116 0.6345 0.6345 0.6533 0.6533 0.8815 0.8815 0.8838 0.8838 1.5291 1.5291 1.5363 1.5363 3.8718 3.8718 3.8857 3.8857 3.9836 3.9836 4.0019 4.0019 4.3702 4.3702 4.3771 4.3771 4.7389 4.7389 4.7413 4.7413 5.1297 5.1297 5.1478 5.1478 5.4960 5.4960 5.5076 5.5076 10.9265 10.9265 10.9273 10.9273 12.6075 12.6075 12.6163 12.6163 12.9347 12.9347 12.9711 12.9711 13.3464 13.3464 k = 0.5000-0.0000 0.1976 ( 6356 PWs) bands (ev): -18.9863 -18.9863 -18.9863 -18.9863 -14.2458 -14.2458 -14.2455 -14.2455 -11.4349 -11.4349 -11.4348 -11.4348 -11.3072 -11.3072 -11.3060 -11.3060 -5.6811 -5.6811 -5.6551 -5.6551 -4.1554 -4.1554 -4.0995 -4.0995 -3.6665 -3.6665 -3.6608 -3.6608 -3.0473 -3.0473 -3.0142 -3.0142 0.6359 0.6359 0.6543 0.6543 0.8792 0.8792 0.8813 0.8813 1.5396 1.5396 1.5467 1.5467 3.8771 3.8771 3.8913 3.8913 3.9790 3.9790 3.9974 3.9974 4.3769 4.3769 4.3842 4.3842 4.7223 4.7223 4.7240 4.7240 5.1284 5.1284 5.1459 5.1459 5.4963 5.4963 5.5076 5.5076 10.9379 10.9379 10.9386 10.9386 12.6144 12.6144 12.6236 12.6236 12.9135 12.9135 12.9505 12.9505 13.3316 13.3317 k = 0.5000-0.0000 0.1797 ( 6360 PWs) bands (ev): -18.9864 -18.9864 -18.9864 -18.9864 -14.2443 -14.2443 -14.2440 -14.2440 -11.4346 -11.4346 -11.4345 -11.4345 -11.3102 -11.3102 -11.3091 -11.3091 -5.6793 -5.6793 -5.6540 -5.6540 -4.1520 -4.1520 -4.0973 -4.0973 -3.6679 -3.6679 -3.6625 -3.6625 -3.0494 -3.0494 -3.0171 -3.0171 0.6375 0.6375 0.6552 0.6552 0.8769 0.8769 0.8788 0.8788 1.5500 1.5500 1.5568 1.5568 3.8823 3.8823 3.8965 3.8965 3.9747 3.9747 3.9930 3.9930 4.3840 4.3840 4.3917 4.3917 4.7056 4.7056 4.7068 4.7068 5.1271 5.1271 5.1437 5.1437 5.4966 5.4966 5.5074 5.5074 10.9494 10.9494 10.9501 10.9501 12.6205 12.6205 12.6298 12.6298 12.8927 12.8927 12.9294 12.9294 13.3171 13.3171 k = 0.5000-0.0000 0.1617 ( 6350 PWs) bands (ev): -18.9865 -18.9865 -18.9865 -18.9865 -14.2428 -14.2428 -14.2426 -14.2426 -11.4342 -11.4342 -11.4341 -11.4341 -11.3132 -11.3132 -11.3121 -11.3121 -5.6773 -5.6773 -5.6531 -5.6531 -4.1482 -4.1482 -4.0955 -4.0955 -3.6692 -3.6692 -3.6642 -3.6642 -3.0511 -3.0511 -3.0200 -3.0200 0.6392 0.6392 0.6560 0.6560 0.8745 0.8745 0.8762 0.8762 1.5603 1.5603 1.5667 1.5667 3.8872 3.8872 3.9012 3.9012 3.9711 3.9711 3.9888 3.9888 4.3916 4.3916 4.3995 4.3995 4.6892 4.6892 4.6896 4.6896 5.1258 5.1258 5.1413 5.1413 5.4968 5.4968 5.5070 5.5070 10.9609 10.9609 10.9615 10.9615 12.6255 12.6255 12.6345 12.6345 12.8730 12.8730 12.9086 12.9086 13.3033 13.3036 k = 0.5000-0.0000 0.1437 ( 6344 PWs) bands (ev): -18.9866 -18.9866 -18.9866 -18.9866 -14.2415 -14.2415 -14.2412 -14.2412 -11.4339 -11.4339 -11.4338 -11.4338 -11.3160 -11.3160 -11.3149 -11.3149 -5.6753 -5.6753 -5.6525 -5.6525 -4.1440 -4.1440 -4.0944 -4.0944 -3.6705 -3.6705 -3.6660 -3.6660 -3.0523 -3.0523 -3.0231 -3.0231 0.6411 0.6411 0.6567 0.6567 0.8721 0.8721 0.8737 0.8737 1.5701 1.5701 1.5760 1.5760 3.8918 3.8918 3.9051 3.9051 3.9682 3.9682 3.9849 3.9849 4.3995 4.3995 4.4075 4.4075 4.6729 4.6729 4.6731 4.6731 5.1245 5.1245 5.1388 5.1388 5.4970 5.4970 5.5065 5.5065 10.9722 10.9722 10.9726 10.9726 12.6291 12.6291 12.6375 12.6375 12.8551 12.8551 12.8885 12.8885 13.2906 13.2906 k = 0.5000-0.0000 0.1258 ( 6342 PWs) bands (ev): -18.9867 -18.9867 -18.9867 -18.9867 -14.2402 -14.2402 -14.2400 -14.2400 -11.4335 -11.4335 -11.4334 -11.4334 -11.3186 -11.3186 -11.3176 -11.3176 -5.6731 -5.6731 -5.6523 -5.6523 -4.1396 -4.1396 -4.0939 -4.0939 -3.6718 -3.6718 -3.6678 -3.6678 -3.0530 -3.0530 -3.0262 -3.0262 0.6430 0.6430 0.6572 0.6572 0.8699 0.8699 0.8712 0.8712 1.5794 1.5794 1.5847 1.5847 3.8959 3.8959 3.9082 3.9082 3.9662 3.9662 3.9814 3.9814 4.4076 4.4076 4.4156 4.4156 4.6568 4.6568 4.6576 4.6576 5.1234 5.1234 5.1363 5.1363 5.4972 5.4972 5.5058 5.5058 10.9829 10.9829 10.9832 10.9832 12.6312 12.6312 12.6386 12.6386 12.8395 12.8395 12.8699 12.8699 13.2791 13.2791 k = 0.5000-0.0000 0.1078 ( 6344 PWs) bands (ev): -18.9868 -18.9868 -18.9868 -18.9868 -14.2390 -14.2390 -14.2389 -14.2389 -11.4332 -11.4332 -11.4331 -11.4331 -11.3209 -11.3209 -11.3201 -11.3201 -5.6708 -5.6708 -5.6523 -5.6523 -4.1349 -4.1349 -4.0940 -4.0940 -3.6729 -3.6729 -3.6695 -3.6695 -3.0532 -3.0532 -3.0293 -3.0293 0.6450 0.6450 0.6575 0.6575 0.8677 0.8677 0.8689 0.8689 1.5878 1.5878 1.5925 1.5925 3.8995 3.8995 3.9103 3.9103 3.9650 3.9650 3.9784 3.9784 4.4158 4.4158 4.4235 4.4235 4.6415 4.6415 4.6428 4.6428 5.1225 5.1225 5.1338 5.1338 5.4974 5.4974 5.5049 5.5049 10.9929 10.9929 10.9931 10.9931 12.6317 12.6317 12.6378 12.6378 12.8268 12.8268 12.8533 12.8533 13.2691 13.2691 k = 0.5000-0.0000 0.0898 ( 6334 PWs) bands (ev): -18.9869 -18.9869 -18.9869 -18.9869 -14.2380 -14.2380 -14.2379 -14.2379 -11.4329 -11.4329 -11.4328 -11.4328 -11.3230 -11.3230 -11.3223 -11.3223 -5.6686 -5.6686 -5.6526 -5.6526 -4.1301 -4.1301 -4.0948 -4.0948 -3.6740 -3.6740 -3.6711 -3.6711 -3.0530 -3.0530 -3.0323 -3.0323 0.6470 0.6470 0.6577 0.6577 0.8658 0.8658 0.8668 0.8668 1.5954 1.5954 1.5994 1.5994 3.9025 3.9025 3.9115 3.9115 3.9646 3.9646 3.9759 3.9759 4.4240 4.4240 4.4312 4.4312 4.6274 4.6274 4.6291 4.6291 5.1218 5.1218 5.1314 5.1314 5.4976 5.4976 5.5040 5.5040 11.0018 11.0018 11.0020 11.0020 12.6308 12.6308 12.6354 12.6354 12.8171 12.8171 12.8391 12.8391 13.2607 13.2607 k = 0.5000-0.0000 0.0719 ( 6336 PWs) bands (ev): -18.9870 -18.9870 -18.9870 -18.9870 -14.2372 -14.2372 -14.2370 -14.2370 -11.4326 -11.4326 -11.4326 -11.4326 -11.3247 -11.3247 -11.3241 -11.3241 -5.6663 -5.6663 -5.6532 -5.6532 -4.1253 -4.1253 -4.0962 -4.0962 -3.6748 -3.6748 -3.6726 -3.6726 -3.0523 -3.0523 -3.0353 -3.0353 0.6489 0.6489 0.6576 0.6576 0.8642 0.8642 0.8650 0.8650 1.6019 1.6019 1.6051 1.6051 3.9049 3.9049 3.9120 3.9120 3.9649 3.9649 3.9738 3.9738 4.4318 4.4318 4.4383 4.4383 4.6149 4.6149 4.6168 4.6168 5.1214 5.1214 5.1292 5.1292 5.4979 5.4979 5.5031 5.5031 11.0095 11.0095 11.0096 11.0096 12.6288 12.6288 12.6319 12.6319 12.8103 12.8103 12.8276 12.8276 13.2540 13.2540 k = 0.5000-0.0000 0.0539 ( 6336 PWs) bands (ev): -18.9870 -18.9870 -18.9870 -18.9870 -14.2365 -14.2365 -14.2364 -14.2364 -11.4324 -11.4324 -11.4324 -11.4324 -11.3261 -11.3261 -11.3256 -11.3256 -5.6642 -5.6642 -5.6541 -5.6541 -4.1205 -4.1205 -4.0982 -4.0982 -3.6755 -3.6755 -3.6738 -3.6738 -3.0512 -3.0512 -3.0382 -3.0382 0.6507 0.6507 0.6574 0.6574 0.8629 0.8629 0.8635 0.8635 1.6071 1.6071 1.6096 1.6096 3.9068 3.9068 3.9120 3.9120 3.9656 3.9656 3.9721 3.9721 4.4390 4.4390 4.4443 4.4443 4.6043 4.6043 4.6062 4.6062 5.1212 5.1212 5.1272 5.1272 5.4982 5.4982 5.5022 5.5022 11.0158 11.0158 11.0158 11.0158 12.6263 12.6263 12.6282 12.6282 12.8060 12.8060 12.8187 12.8187 13.2490 13.2490 k = 0.5000-0.0000 0.0359 ( 6336 PWs) bands (ev): -18.9871 -18.9871 -18.9871 -18.9871 -14.2360 -14.2360 -14.2359 -14.2359 -11.4322 -11.4322 -11.4322 -11.4322 -11.3271 -11.3271 -11.3268 -11.3268 -5.6621 -5.6621 -5.6553 -5.6553 -4.1159 -4.1159 -4.1008 -4.1008 -3.6759 -3.6759 -3.6748 -3.6748 -3.0498 -3.0498 -3.0410 -3.0410 0.6523 0.6523 0.6568 0.6568 0.8619 0.8619 0.8623 0.8623 1.6111 1.6111 1.6127 1.6127 3.9082 3.9082 3.9116 3.9116 3.9665 3.9665 3.9708 3.9708 4.4450 4.4450 4.4489 4.4489 4.5963 4.5963 4.5978 4.5978 5.1214 5.1214 5.1254 5.1254 5.4986 5.4986 5.5013 5.5013 11.0204 11.0204 11.0204 11.0204 12.6239 12.6239 12.6249 12.6249 12.8038 12.8038 12.8121 12.8121 13.2458 13.2458 k = 0.5000-0.0000 0.0180 ( 6324 PWs) bands (ev): -18.9871 -18.9871 -18.9871 -18.9871 -14.2357 -14.2357 -14.2356 -14.2356 -11.4321 -11.4321 -11.4321 -11.4321 -11.3276 -11.3276 -11.3275 -11.3275 -5.6601 -5.6601 -5.6567 -5.6567 -4.1116 -4.1116 -4.1039 -4.1039 -3.6760 -3.6760 -3.6755 -3.6755 -3.0480 -3.0480 -3.0435 -3.0435 0.6538 0.6538 0.6560 0.6560 0.8614 0.8614 0.8616 0.8616 1.6136 1.6136 1.6145 1.6145 3.9094 3.9094 3.9110 3.9110 3.9676 3.9676 3.9697 3.9697 4.4495 4.4495 4.4515 4.4515 4.5914 4.5914 4.5923 4.5923 5.1219 5.1219 5.1239 5.1239 5.4991 5.4991 5.5005 5.5005 11.0232 11.0232 11.0232 11.0232 12.6222 12.6222 12.6226 12.6226 12.8034 12.8034 12.8075 12.8075 13.2443 13.2443 k = 0.5000-0.0000-0.0000 ( 6324 PWs) bands (ev): -18.9871 -18.9871 -18.9871 -18.9871 -14.2355 -14.2355 -14.2355 -14.2355 -11.4321 -11.4321 -11.4321 -11.4321 -11.3278 -11.3278 -11.3278 -11.3278 -5.6583 -5.6583 -5.6583 -5.6583 -4.1075 -4.1075 -4.1075 -4.1075 -3.6759 -3.6759 -3.6759 -3.6759 -3.0459 -3.0459 -3.0459 -3.0459 0.6550 0.6550 0.6550 0.6550 0.8613 0.8613 0.8613 0.8613 1.6148 1.6148 1.6148 1.6148 3.9103 3.9103 3.9103 3.9103 3.9686 3.9686 3.9686 3.9686 4.4517 4.4517 4.4517 4.4517 4.5900 4.5900 4.5900 4.5900 5.1228 5.1228 5.1228 5.1228 5.4998 5.4998 5.4998 5.4998 11.0241 11.0241 11.0241 11.0241 12.6217 12.6217 12.6217 12.6217 12.8047 12.8047 12.8047 12.8047 13.2446 13.2446 k = 0.0000 0.0000 0.4312 ( 6328 PWs) bands (ev): -19.0104 -19.0104 -18.9723 -18.9723 -14.2862 -14.2862 -14.1682 -14.1682 -11.4779 -11.4779 -11.3833 -11.3833 -11.3161 -11.3161 -11.3060 -11.3060 -5.6598 -5.6598 -5.6058 -5.6058 -4.1096 -4.1096 -3.9652 -3.9652 -3.6195 -3.6195 -3.5882 -3.5882 -3.4168 -3.4168 -3.2702 -3.2702 0.4925 0.4925 0.7332 0.7332 0.8113 0.8113 1.0268 1.0268 1.1866 1.1866 1.7253 1.7253 3.5775 3.5775 3.7947 3.7947 3.9909 3.9909 4.2317 4.2317 4.6634 4.6634 4.7553 4.7553 4.8737 4.8737 5.0131 5.0131 5.1579 5.1579 5.2132 5.2132 5.2518 5.2518 5.7131 5.7131 10.5635 10.5635 11.2880 11.2880 11.3386 11.3386 12.0266 12.0266 12.5440 12.5440 12.6907 12.6907 13.0446 13.0446 k = 0.0179-0.0000 0.4312 ( 6334 PWs) bands (ev): -19.0104 -19.0104 -18.9723 -18.9723 -14.2862 -14.2862 -14.1684 -14.1684 -11.4779 -11.4779 -11.3835 -11.3835 -11.3159 -11.3159 -11.3059 -11.3059 -5.6600 -5.6600 -5.6059 -5.6059 -4.1099 -4.1099 -3.9659 -3.9659 -3.6205 -3.6205 -3.5878 -3.5878 -3.4152 -3.4152 -3.2690 -3.2690 0.4938 0.4938 0.7326 0.7326 0.8109 0.8109 1.0260 1.0260 1.1864 1.1864 1.7261 1.7261 3.5787 3.5787 3.7936 3.7936 3.9916 3.9916 4.2311 4.2311 4.6631 4.6631 4.7569 4.7569 4.8734 4.8734 5.0115 5.0115 5.1568 5.1568 5.2065 5.2065 5.2567 5.2567 5.7133 5.7133 10.5618 10.5618 11.2937 11.2937 11.3414 11.3414 12.0281 12.0281 12.5368 12.5368 12.6940 12.6940 13.0457 13.0457 k = 0.0357-0.0000 0.4312 ( 6340 PWs) bands (ev): -19.0102 -19.0102 -18.9723 -18.9723 -14.2862 -14.2862 -14.1689 -14.1689 -11.4777 -11.4777 -11.3842 -11.3842 -11.3153 -11.3153 -11.3055 -11.3055 -5.6605 -5.6605 -5.6063 -5.6063 -4.1109 -4.1109 -3.9681 -3.9681 -3.6233 -3.6233 -3.5868 -3.5868 -3.4107 -3.4107 -3.2653 -3.2653 0.4975 0.4975 0.7309 0.7309 0.8097 0.8097 1.0237 1.0237 1.1858 1.1858 1.7282 1.7282 3.5823 3.5823 3.7906 3.7906 3.9937 3.9937 4.2295 4.2295 4.6623 4.6623 4.7616 4.7616 4.8725 4.8725 5.0067 5.0067 5.1535 5.1535 5.1918 5.1918 5.2664 5.2664 5.7138 5.7138 10.5567 10.5567 11.3107 11.3107 11.3500 11.3500 12.0325 12.0325 12.5167 12.5167 12.7025 12.7025 13.0492 13.0492 k = 0.0536-0.0000 0.4312 ( 6338 PWs) bands (ev): -19.0100 -19.0100 -18.9724 -18.9724 -14.2863 -14.2863 -14.1699 -14.1699 -11.4774 -11.4774 -11.3853 -11.3853 -11.3143 -11.3143 -11.3049 -11.3049 -5.6614 -5.6614 -5.6070 -5.6070 -4.1126 -4.1126 -3.9715 -3.9715 -3.6272 -3.6272 -3.5859 -3.5859 -3.4033 -3.4033 -3.2592 -3.2592 0.5037 0.5037 0.7282 0.7282 0.8077 0.8077 1.0199 1.0199 1.1847 1.1847 1.7316 1.7316 3.5882 3.5882 3.7859 3.7859 3.9966 3.9966 4.2268 4.2268 4.6616 4.6616 4.7686 4.7686 4.8708 4.8708 4.9986 4.9986 5.1469 5.1469 5.1751 5.1751 5.2763 5.2763 5.7147 5.7147 10.5490 10.5490 11.3377 11.3377 11.3646 11.3646 12.0399 12.0399 12.4870 12.4870 12.7138 12.7138 13.0549 13.0549 k = 0.0714-0.0000 0.4312 ( 6338 PWs) bands (ev): -19.0097 -19.0097 -18.9724 -18.9724 -14.2863 -14.2863 -14.1712 -14.1712 -11.4770 -11.4770 -11.3867 -11.3867 -11.3130 -11.3130 -11.3041 -11.3041 -5.6626 -5.6626 -5.6080 -5.6080 -4.1149 -4.1149 -3.9762 -3.9762 -3.6316 -3.6316 -3.5854 -3.5854 -3.3931 -3.3931 -3.2511 -3.2511 0.5123 0.5123 0.7246 0.7246 0.8050 0.8050 1.0147 1.0147 1.1831 1.1831 1.7363 1.7363 3.5964 3.5964 3.7800 3.7800 3.9999 3.9999 4.2231 4.2231 4.6617 4.6617 4.7773 4.7773 4.8683 4.8683 4.9872 4.9872 5.1340 5.1340 5.1614 5.1614 5.2852 5.2852 5.7157 5.7157 10.5395 10.5395 11.3703 11.3703 11.3882 11.3882 12.0502 12.0502 12.4501 12.4501 12.7264 12.7264 13.0631 13.0631 k = 0.0893-0.0000 0.4312 ( 6334 PWs) bands (ev): -19.0092 -19.0092 -18.9725 -18.9725 -14.2863 -14.2863 -14.1729 -14.1729 -11.4764 -11.4764 -11.3885 -11.3885 -11.3116 -11.3116 -11.3031 -11.3031 -5.6640 -5.6640 -5.6093 -5.6093 -4.1177 -4.1177 -3.9819 -3.9819 -3.6361 -3.6361 -3.5855 -3.5855 -3.3804 -3.3804 -3.2410 -3.2410 0.5230 0.5230 0.7202 0.7202 0.8018 0.8018 1.0083 1.0083 1.1809 1.1809 1.7419 1.7419 3.6068 3.6068 3.7734 3.7734 4.0031 4.0031 4.2182 4.2182 4.6632 4.6632 4.7869 4.7869 4.8648 4.8648 4.9726 4.9726 5.1138 5.1138 5.1531 5.1531 5.2929 5.2929 5.7168 5.7168 10.5290 10.5290 11.3992 11.3992 11.4287 11.4287 12.0633 12.0633 12.4081 12.4081 12.7395 12.7395 13.0736 13.0736 k = 0.1071-0.0000 0.4312 ( 6340 PWs) bands (ev): -19.0087 -19.0087 -18.9727 -18.9727 -14.2863 -14.2863 -14.1750 -14.1750 -11.4757 -11.4757 -11.3904 -11.3904 -11.3100 -11.3100 -11.3018 -11.3018 -5.6657 -5.6657 -5.6109 -5.6109 -4.1209 -4.1209 -3.9886 -3.9886 -3.6405 -3.6405 -3.5864 -3.5864 -3.3656 -3.3656 -3.2293 -3.2293 0.5357 0.5357 0.7155 0.7155 0.7983 0.7983 1.0006 1.0006 1.1779 1.1779 1.7482 1.7482 3.6193 3.6193 3.7664 3.7664 4.0055 4.0055 4.2122 4.2122 4.6663 4.6663 4.7968 4.7968 4.8597 4.8597 4.9552 4.9552 5.0897 5.0897 5.1476 5.1476 5.2993 5.2993 5.7177 5.7177 10.5185 10.5185 11.4274 11.4274 11.4811 11.4811 12.0791 12.0791 12.3626 12.3626 12.7528 12.7528 13.0865 13.0865 k = 0.1250-0.0000 0.4312 ( 6342 PWs) bands (ev): -19.0081 -19.0081 -18.9728 -18.9728 -14.2863 -14.2863 -14.1773 -14.1773 -11.4749 -11.4749 -11.3926 -11.3926 -11.3084 -11.3084 -11.3003 -11.3003 -5.6676 -5.6676 -5.6127 -5.6127 -4.1246 -4.1246 -3.9959 -3.9959 -3.6447 -3.6447 -3.5880 -3.5880 -3.3490 -3.3490 -3.2161 -3.2161 0.5501 0.5501 0.7105 0.7105 0.7948 0.7948 0.9920 0.9920 1.1742 1.1742 1.7549 1.7549 3.6338 3.6338 3.7594 3.7594 4.0068 4.0068 4.2050 4.2050 4.6712 4.6712 4.8062 4.8062 4.8524 4.8524 4.9362 4.9362 5.0642 5.0642 5.1435 5.1435 5.3046 5.3046 5.7183 5.7183 10.5086 10.5086 11.4577 11.4577 11.5408 11.5408 12.0976 12.0976 12.3153 12.3153 12.7662 12.7662 13.1018 13.1018 k = 0.1429-0.0000 0.4312 ( 6344 PWs) bands (ev): -19.0074 -19.0074 -18.9730 -18.9730 -14.2862 -14.2862 -14.1800 -14.1800 -11.4740 -11.4740 -11.3948 -11.3948 -11.3067 -11.3067 -11.2986 -11.2986 -5.6697 -5.6697 -5.6148 -5.6148 -4.1285 -4.1285 -4.0038 -4.0038 -3.6485 -3.6485 -3.5901 -3.5901 -3.3308 -3.3308 -3.2019 -3.2019 0.5655 0.5655 0.7057 0.7057 0.7918 0.7918 0.9826 0.9826 1.1697 1.1697 1.7618 1.7618 3.6502 3.6502 3.7528 3.7528 4.0068 4.0068 4.1968 4.1968 4.6778 4.6778 4.8144 4.8144 4.8411 4.8411 4.9174 4.9174 5.0388 5.0388 5.1405 5.1405 5.3091 5.3091 5.7185 5.7185 10.4998 10.4998 11.4894 11.4894 11.6060 11.6060 12.1182 12.1182 12.2686 12.2686 12.7796 12.7796 13.1196 13.1196 k = 0.1607-0.0000 0.4312 ( 6348 PWs) bands (ev): -19.0066 -19.0066 -18.9732 -18.9732 -14.2861 -14.2861 -14.1830 -14.1830 -11.4729 -11.4729 -11.3971 -11.3971 -11.3051 -11.3051 -11.2968 -11.2968 -5.6719 -5.6719 -5.6172 -5.6172 -4.1326 -4.1326 -4.0122 -4.0122 -3.6520 -3.6520 -3.5927 -3.5927 -3.3115 -3.3115 -3.1867 -3.1867 0.5812 0.5812 0.7013 0.7013 0.7899 0.7899 0.9726 0.9726 1.1642 1.1642 1.7684 1.7684 3.6683 3.6683 3.7469 3.7469 4.0052 4.0052 4.1874 4.1874 4.6854 4.6854 4.8191 4.8191 4.8255 4.8255 4.9014 4.9014 5.0149 5.0149 5.1385 5.1385 5.3128 5.3128 5.7179 5.7179 10.4928 10.4928 11.5209 11.5209 11.6753 11.6753 12.1397 12.1397 12.2260 12.2260 12.7930 12.7930 13.1396 13.1396 k = 0.1786-0.0000 0.4312 ( 6348 PWs) bands (ev): -19.0058 -19.0058 -18.9734 -18.9734 -14.2860 -14.2860 -14.1862 -14.1862 -11.4717 -11.4717 -11.3995 -11.3995 -11.3034 -11.3034 -11.2948 -11.2948 -5.6741 -5.6741 -5.6198 -5.6198 -4.1368 -4.1368 -4.0208 -4.0208 -3.6550 -3.6550 -3.5956 -3.5956 -3.2913 -3.2913 -3.1710 -3.1710 0.5963 0.5963 0.6976 0.6976 0.7900 0.7900 0.9621 0.9621 1.1579 1.1579 1.7744 1.7744 3.6877 3.6877 3.7420 3.7420 4.0020 4.0020 4.1769 4.1769 4.6929 4.6929 4.7979 4.7979 4.8268 4.8268 4.8895 4.8895 4.9943 4.9943 5.1373 5.1373 5.3160 5.3160 5.7166 5.7166 10.4876 10.4876 11.5496 11.5496 11.7477 11.7477 12.1525 12.1525 12.2006 12.2006 12.8060 12.8060 13.1620 13.1620 k = 0.1964-0.0000 0.4312 ( 6352 PWs) bands (ev): -19.0049 -19.0049 -18.9737 -18.9737 -14.2858 -14.2858 -14.1897 -14.1897 -11.4704 -11.4704 -11.4018 -11.4018 -11.3018 -11.3018 -11.2929 -11.2929 -5.6764 -5.6764 -5.6227 -5.6227 -4.1410 -4.1410 -4.0295 -4.0295 -3.6577 -3.6577 -3.5988 -3.5988 -3.2705 -3.2705 -3.1549 -3.1549 0.6093 0.6093 0.6948 0.6948 0.7933 0.7933 0.9515 0.9515 1.1506 1.1506 1.7794 1.7794 3.7077 3.7077 3.7389 3.7389 3.9975 3.9975 4.1655 4.1655 4.6985 4.6985 4.7676 4.7676 4.8296 4.8296 4.8808 4.8808 4.9787 4.9787 5.1369 5.1369 5.3190 5.3190 5.7143 5.7143 10.4847 10.4847 11.5718 11.5718 11.8218 11.8218 12.1378 12.1378 12.2150 12.2150 12.8187 12.8187 13.1865 13.1865 k = 0.2143-0.0000 0.4312 ( 6354 PWs) bands (ev): -19.0039 -19.0039 -18.9740 -18.9740 -14.2855 -14.2855 -14.1934 -14.1934 -11.4690 -11.4690 -11.4041 -11.4041 -11.3002 -11.3002 -11.2910 -11.2910 -5.6786 -5.6786 -5.6258 -5.6258 -4.1451 -4.1451 -4.0383 -4.0383 -3.6600 -3.6600 -3.6022 -3.6022 -3.2494 -3.2494 -3.1386 -3.1386 0.6192 0.6192 0.6928 0.6928 0.8012 0.8012 0.9411 0.9411 1.1425 1.1425 1.7830 1.7830 3.7239 3.7239 3.7417 3.7417 3.9917 3.9917 4.1530 4.1530 4.6989 4.6989 4.7338 4.7338 4.8319 4.8319 4.8740 4.8740 4.9692 4.9692 5.1372 5.1372 5.3220 5.3220 5.7110 5.7110 10.4842 10.4842 11.5831 11.5831 11.8960 11.8960 12.1231 12.1231 12.2473 12.2473 12.8308 12.8308 13.2130 13.2130 k = 0.2321-0.0000 0.4312 ( 6358 PWs) bands (ev): -19.0029 -19.0029 -18.9743 -18.9743 -14.2850 -14.2850 -14.1973 -14.1973 -11.4675 -11.4675 -11.4065 -11.4065 -11.2986 -11.2986 -11.2891 -11.2891 -5.6807 -5.6807 -5.6291 -5.6291 -4.1490 -4.1490 -4.0471 -4.0471 -3.6620 -3.6620 -3.6056 -3.6056 -3.2281 -3.2281 -3.1225 -3.1225 0.6254 0.6254 0.6911 0.6911 0.8141 0.8141 0.9314 0.9314 1.1337 1.1337 1.7849 1.7849 3.7276 3.7276 3.7591 3.7591 3.9851 3.9851 4.1398 4.1398 4.6859 4.6859 4.7040 4.7040 4.8359 4.8359 4.8684 4.8684 4.9658 4.9658 5.1381 5.1381 5.3251 5.3251 5.7065 5.7065 10.4862 10.4862 11.5798 11.5798 11.9687 11.9687 12.1232 12.1232 12.2870 12.2870 12.8421 12.8421 13.2412 13.2412 k = 0.2500-0.0000 0.4312 ( 6364 PWs) bands (ev): -19.0018 -19.0018 -18.9747 -18.9747 -14.2845 -14.2845 -14.2014 -14.2014 -11.4658 -11.4658 -11.4087 -11.4087 -11.2970 -11.2970 -11.2874 -11.2874 -5.6827 -5.6827 -5.6325 -5.6325 -4.1526 -4.1526 -4.0559 -4.0559 -3.6636 -3.6636 -3.6092 -3.6092 -3.2070 -3.2070 -3.1067 -3.1067 0.6285 0.6285 0.6891 0.6891 0.8314 0.8314 0.9235 0.9235 1.1243 1.1243 1.7846 1.7846 3.7278 3.7278 3.7818 3.7818 3.9780 3.9780 4.1260 4.1260 4.6513 4.6513 4.6863 4.6863 4.8428 4.8428 4.8640 4.8640 4.9673 4.9673 5.1395 5.1395 5.3286 5.3286 5.7009 5.7009 10.4909 10.4909 11.5609 11.5609 12.0376 12.0376 12.1407 12.1407 12.3339 12.3339 12.8526 12.8526 13.2706 13.2706 k = 0.2679-0.0000 0.4312 ( 6368 PWs) bands (ev): -19.0007 -19.0007 -18.9752 -18.9752 -14.2839 -14.2839 -14.2055 -14.2055 -11.4641 -11.4641 -11.4109 -11.4109 -11.2955 -11.2955 -11.2857 -11.2857 -5.6845 -5.6845 -5.6361 -5.6361 -4.1559 -4.1559 -4.0645 -4.0645 -3.6648 -3.6648 -3.6128 -3.6128 -3.1861 -3.1861 -3.0913 -3.0913 0.6295 0.6295 0.6864 0.6864 0.8498 0.8498 0.9199 0.9199 1.1147 1.1147 1.7819 1.7819 3.7285 3.7285 3.8056 3.8056 3.9709 3.9709 4.1119 4.1119 4.6115 4.6115 4.6665 4.6665 4.8514 4.8514 4.8613 4.8613 4.9728 4.9728 5.1413 5.1413 5.3327 5.3327 5.6939 5.6939 10.4982 10.4982 11.5282 11.5282 12.1010 12.1010 12.1736 12.1736 12.3886 12.3886 12.8623 12.8623 13.3008 13.3008 k = 0.2857-0.0000 0.4312 ( 6366 PWs) bands (ev): -18.9995 -18.9995 -18.9756 -18.9756 -14.2831 -14.2831 -14.2098 -14.2098 -11.4623 -11.4623 -11.4131 -11.4131 -11.2939 -11.2939 -11.2843 -11.2843 -5.6861 -5.6861 -5.6398 -5.6398 -4.1588 -4.1588 -4.0729 -4.0729 -3.6657 -3.6657 -3.6165 -3.6165 -3.1656 -3.1656 -3.0767 -3.0767 0.6293 0.6293 0.6832 0.6832 0.8628 0.8628 0.9257 0.9257 1.1056 1.1056 1.7764 1.7764 3.7302 3.7302 3.8292 3.8292 3.9641 3.9641 4.0977 4.0977 4.5707 4.5707 4.6429 4.6429 4.8552 4.8552 4.8650 4.8650 4.9815 4.9815 5.1433 5.1433 5.3376 5.3376 5.6857 5.6857 10.5083 10.5083 11.4855 11.4855 12.1579 12.1579 12.2178 12.2178 12.4513 12.4513 12.8713 12.8713 13.3309 13.3309 k = 0.3036-0.0000 0.4312 ( 6366 PWs) bands (ev): -18.9983 -18.9983 -18.9761 -18.9761 -14.2821 -14.2821 -14.2141 -14.2141 -11.4604 -11.4604 -11.4152 -11.4152 -11.2924 -11.2924 -11.2830 -11.2830 -5.6874 -5.6874 -5.6436 -5.6436 -4.1612 -4.1612 -4.0811 -4.0811 -3.6663 -3.6663 -3.6201 -3.6201 -3.1458 -3.1458 -3.0630 -3.0630 0.6285 0.6285 0.6795 0.6795 0.8660 0.8660 0.9432 0.9432 1.0984 1.0984 1.7678 1.7678 3.7331 3.7331 3.8519 3.8519 3.9582 3.9582 4.0842 4.0842 4.5297 4.5297 4.6170 4.6170 4.8542 4.8542 4.8735 4.8735 4.9930 4.9930 5.1454 5.1454 5.3435 5.3435 5.6761 5.6761 10.5213 10.5213 11.4360 11.4360 12.2084 12.2084 12.2692 12.2692 12.5209 12.5209 12.8799 12.8799 13.3594 13.3595 k = 0.3214-0.0000 0.4312 ( 6364 PWs) bands (ev): -18.9971 -18.9971 -18.9767 -18.9767 -14.2810 -14.2810 -14.2185 -14.2185 -11.4585 -11.4585 -11.4173 -11.4173 -11.2910 -11.2910 -11.2818 -11.2818 -5.6885 -5.6885 -5.6475 -5.6475 -4.1631 -4.1631 -4.0891 -4.0891 -3.6666 -3.6666 -3.6237 -3.6237 -3.1268 -3.1268 -3.0503 -3.0503 0.6276 0.6276 0.6757 0.6757 0.8638 0.8638 0.9651 0.9651 1.0957 1.0957 1.7559 1.7559 3.7372 3.7372 3.8725 3.8725 3.9537 3.9537 4.0721 4.0721 4.4894 4.4894 4.5898 4.5898 4.8531 4.8531 4.8807 4.8807 5.0071 5.0071 5.1476 5.1476 5.3506 5.3506 5.6652 5.6652 10.5370 10.5370 11.3823 11.3823 12.2531 12.2531 12.3244 12.3244 12.5952 12.5952 12.8886 12.8886 13.3833 13.3833 k = 0.3393-0.0000 0.4312 ( 6366 PWs) bands (ev): -18.9959 -18.9959 -18.9773 -18.9773 -14.2797 -14.2797 -14.2229 -14.2229 -11.4564 -11.4564 -11.4194 -11.4194 -11.2895 -11.2895 -11.2809 -11.2809 -5.6893 -5.6893 -5.6513 -5.6513 -4.1644 -4.1644 -4.0969 -4.0969 -3.6665 -3.6665 -3.6273 -3.6273 -3.1087 -3.1087 -3.0388 -3.0388 0.6267 0.6267 0.6717 0.6717 0.8602 0.8602 0.9820 0.9820 1.1025 1.1025 1.7406 1.7406 3.7425 3.7425 3.8896 3.8896 3.9511 3.9511 4.0625 4.0625 4.4504 4.4504 4.5620 4.5620 4.8525 4.8525 4.8858 4.8858 5.0229 5.0229 5.1496 5.1496 5.3590 5.3590 5.6529 5.6529 10.5556 10.5556 11.3264 11.3264 12.2932 12.2932 12.3804 12.3804 12.6718 12.6718 12.8984 12.8984 13.3954 13.3955 k = 0.3571-0.0000 0.4312 ( 6364 PWs) bands (ev): -18.9946 -18.9946 -18.9780 -18.9780 -14.2782 -14.2782 -14.2273 -14.2273 -11.4544 -11.4544 -11.4214 -11.4214 -11.2882 -11.2882 -11.2801 -11.2801 -5.6898 -5.6898 -5.6552 -5.6552 -4.1652 -4.1652 -4.1043 -4.1043 -3.6662 -3.6662 -3.6308 -3.6308 -3.0916 -3.0916 -3.0286 -3.0286 0.6261 0.6261 0.6678 0.6678 0.8572 0.8572 0.9879 0.9879 1.1229 1.1229 1.7218 1.7218 3.7490 3.7490 3.9014 3.9014 3.9506 3.9506 4.0570 4.0570 4.4134 4.4134 4.5342 4.5342 4.8525 4.8525 4.8886 4.8886 5.0398 5.0398 5.1514 5.1514 5.3689 5.3689 5.6394 5.6394 10.5771 10.5771 11.2695 11.2695 12.3299 12.3299 12.4339 12.4339 12.7482 12.7482 12.9106 12.9106 13.3963 13.3963 k = 0.3750-0.0000 0.4312 ( 6372 PWs) bands (ev): -18.9934 -18.9934 -18.9787 -18.9787 -14.2765 -14.2765 -14.2316 -14.2316 -11.4523 -11.4523 -11.4234 -11.4234 -11.2869 -11.2869 -11.2795 -11.2795 -5.6899 -5.6899 -5.6590 -5.6590 -4.1654 -4.1654 -4.1114 -4.1114 -3.6656 -3.6656 -3.6342 -3.6342 -3.0757 -3.0757 -3.0199 -3.0199 0.6258 0.6258 0.6638 0.6638 0.8555 0.8555 0.9841 0.9841 1.1546 1.1546 1.6993 1.6993 3.7566 3.7566 3.9066 3.9066 3.9523 3.9523 4.0563 4.0563 4.3794 4.3794 4.5064 4.5064 4.8531 4.8531 4.8896 4.8896 5.0568 5.0568 5.1528 5.1528 5.3802 5.3802 5.6246 5.6246 10.6015 10.6015 11.2124 11.2124 12.3638 12.3638 12.4817 12.4817 12.8218 12.8218 12.9268 12.9268 13.3947 13.3947 k = 0.3929-0.0000 0.4312 ( 6362 PWs) bands (ev): -18.9922 -18.9922 -18.9795 -18.9795 -14.2745 -14.2745 -14.2358 -14.2358 -11.4502 -11.4502 -11.4254 -11.4254 -11.2856 -11.2856 -11.2791 -11.2791 -5.6897 -5.6897 -5.6627 -5.6627 -4.1650 -4.1650 -4.1182 -4.1182 -3.6648 -3.6648 -3.6375 -3.6375 -3.0611 -3.0611 -3.0127 -3.0127 0.6259 0.6259 0.6597 0.6597 0.8557 0.8557 0.9747 0.9747 1.1931 1.1931 1.6735 1.6735 3.7652 3.7652 3.9052 3.9052 3.9562 3.9562 4.0598 4.0598 4.3497 4.3497 4.4790 4.4790 4.8542 4.8542 4.8890 4.8890 5.0733 5.0733 5.1538 5.1538 5.3931 5.3931 5.6088 5.6088 10.6287 10.6287 11.1560 11.1560 12.3956 12.3956 12.5205 12.5205 12.8902 12.8902 12.9485 12.9485 13.3943 13.3943 k = 0.4107-0.0000 0.4312 ( 6354 PWs) bands (ev): -18.9909 -18.9909 -18.9803 -18.9803 -14.2724 -14.2724 -14.2400 -14.2400 -11.4480 -11.4480 -11.4274 -11.4274 -11.2845 -11.2845 -11.2789 -11.2789 -5.6891 -5.6891 -5.6662 -5.6662 -4.1641 -4.1641 -4.1246 -4.1246 -3.6636 -3.6636 -3.6407 -3.6407 -3.0479 -3.0479 -3.0072 -3.0072 0.6264 0.6264 0.6557 0.6557 0.8578 0.8578 0.9626 0.9626 1.2351 1.2351 1.6442 1.6442 3.7748 3.7748 3.8986 3.8986 3.9626 3.9626 4.0646 4.0646 4.3259 4.3259 4.4520 4.4520 4.8558 4.8558 4.8873 4.8873 5.0886 5.0886 5.1540 5.1540 5.4076 5.4076 5.5918 5.5918 10.6587 10.6587 11.1005 11.1005 12.4255 12.4255 12.5483 12.5483 12.9503 12.9503 12.9768 12.9768 13.3964 13.3965 k = 0.4286-0.0000 0.4312 ( 6352 PWs) bands (ev): -18.9897 -18.9897 -18.9812 -18.9812 -14.2701 -14.2701 -14.2440 -14.2440 -11.4459 -11.4459 -11.4294 -11.4294 -11.2834 -11.2834 -11.2788 -11.2788 -5.6882 -5.6882 -5.6697 -5.6697 -4.1625 -4.1625 -4.1307 -4.1307 -3.6623 -3.6623 -3.6438 -3.6438 -3.0362 -3.0362 -3.0033 -3.0033 0.6275 0.6275 0.6516 0.6516 0.8619 0.8619 0.9493 0.9493 1.2791 1.2791 1.6118 1.6118 3.7853 3.7853 3.8883 3.8883 3.9717 3.9717 4.0673 4.0673 4.3099 4.3099 4.4257 4.4257 4.8580 4.8580 4.8847 4.8847 5.1025 5.1025 5.1535 5.1535 5.4235 5.4235 5.5740 5.5740 10.6915 10.6915 11.0465 11.0465 12.4536 12.4536 12.5645 12.5645 12.9977 12.9977 13.0124 13.0124 13.4018 13.4018 k = 0.4464-0.0000 0.4312 ( 6346 PWs) bands (ev): -18.9885 -18.9885 -18.9821 -18.9821 -14.2675 -14.2675 -14.2479 -14.2479 -11.4438 -11.4438 -11.4314 -11.4314 -11.2824 -11.2824 -11.2789 -11.2789 -5.6870 -5.6870 -5.6729 -5.6729 -4.1604 -4.1604 -4.1364 -4.1364 -3.6607 -3.6607 -3.6467 -3.6467 -3.0260 -3.0260 -3.0012 -3.0012 0.6291 0.6291 0.6476 0.6476 0.8680 0.8680 0.9356 0.9356 1.3238 1.3238 1.5765 1.5765 3.7966 3.7966 3.8759 3.8759 3.9834 3.9834 4.0650 4.0650 4.3033 4.3033 4.4001 4.4001 4.8606 4.8606 4.8815 4.8815 5.1146 5.1146 5.1521 5.1521 5.4406 5.4406 5.5554 5.5554 10.7271 10.7271 10.9942 10.9942 12.4798 12.4798 12.5704 12.5704 13.0331 13.0331 13.0492 13.0492 13.4109 13.4110 k = 0.4643-0.0000 0.4312 ( 6348 PWs) bands (ev): -18.9874 -18.9874 -18.9831 -18.9831 -14.2648 -14.2648 -14.2516 -14.2516 -11.4416 -11.4416 -11.4334 -11.4334 -11.2815 -11.2815 -11.2792 -11.2792 -5.6854 -5.6854 -5.6759 -5.6759 -4.1577 -4.1577 -4.1416 -4.1416 -3.6588 -3.6588 -3.6495 -3.6495 -3.0175 -3.0175 -3.0009 -3.0009 0.6311 0.6311 0.6437 0.6437 0.8760 0.8760 0.9220 0.9220 1.3686 1.3686 1.5386 1.5386 3.8087 3.8087 3.8624 3.8624 3.9973 3.9973 4.0569 4.0569 4.3060 4.3060 4.3757 4.3757 4.8636 4.8636 4.8779 4.8779 5.1250 5.1250 5.1495 5.1495 5.4588 5.4588 5.5362 5.5362 10.7654 10.7654 10.9439 10.9439 12.5038 12.5038 12.5677 12.5677 13.0620 13.0620 13.0764 13.0764 13.4238 13.4238 k = 0.4821-0.0000 0.4312 ( 6348 PWs) bands (ev): -18.9862 -18.9862 -18.9841 -18.9841 -14.2618 -14.2618 -14.2552 -14.2552 -11.4395 -11.4395 -11.4354 -11.4354 -11.2808 -11.2808 -11.2796 -11.2796 -5.6835 -5.6835 -5.6787 -5.6787 -4.1544 -4.1544 -4.1463 -4.1463 -3.6568 -3.6568 -3.6521 -3.6521 -3.0107 -3.0107 -3.0024 -3.0024 0.6337 0.6337 0.6400 0.6400 0.8856 0.8856 0.9089 0.9089 1.4130 1.4130 1.4984 1.4984 3.8215 3.8215 3.8486 3.8486 4.0128 4.0128 4.0443 4.0443 4.3165 4.3165 4.3530 4.3530 4.8669 4.8669 4.8742 4.8742 5.1335 5.1335 5.1456 5.1456 5.4777 5.4777 5.5167 5.5167 10.8063 10.8063 10.8957 10.8957 12.5253 12.5253 12.5583 12.5583 13.0828 13.0828 13.0911 13.0911 13.4397 13.4397 k = 0.5000-0.0000 0.4312 ( 6344 PWs) bands (ev): -18.9851 -18.9851 -18.9851 -18.9851 -14.2586 -14.2586 -14.2586 -14.2586 -11.4375 -11.4375 -11.4375 -11.4375 -11.2801 -11.2801 -11.2801 -11.2801 -5.6812 -5.6812 -5.6812 -5.6812 -4.1506 -4.1506 -4.1506 -4.1506 -3.6545 -3.6545 -3.6545 -3.6545 -3.0057 -3.0057 -3.0057 -3.0057 0.6367 0.6367 0.6367 0.6367 0.8967 0.8967 0.8967 0.8967 1.4564 1.4564 1.4564 1.4564 3.8349 3.8349 3.8349 3.8349 4.0289 4.0289 4.0289 4.0289 4.3329 4.3329 4.3329 4.3329 4.8705 4.8705 4.8705 4.8705 5.1404 5.1404 5.1404 5.1404 5.4971 5.4971 5.4971 5.4971 10.8498 10.8498 10.8498 10.8498 12.5438 12.5438 12.5438 12.5438 13.0930 13.0930 13.0930 13.0930 13.4568 13.4568 Writing output data file BaSeO3.save init_run : 0.44s CPU 0.57s WALL ( 1 calls) electrons : 522.87s CPU 529.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 522.86s CPU 529.02s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.10s WALL ( 257 calls) cegterg : 504.16s CPU 509.51s WALL ( 958 calls) Called by sum_band: Called by *egterg: h_psi : 208.21s CPU 210.95s WALL ( 18130 calls) s_psi : 14.52s CPU 14.58s WALL ( 18130 calls) g_psi : 0.65s CPU 0.70s WALL ( 16915 calls) cdiaghg : 221.38s CPU 224.11s WALL ( 17172 calls) cegterg:over : 25.35s CPU 25.57s WALL ( 16915 calls) cegterg:upda : 26.38s CPU 26.10s WALL ( 16915 calls) cegterg:last : 9.95s CPU 9.91s WALL ( 1729 calls) cdiaghg:chol : 13.12s CPU 13.01s WALL ( 17172 calls) cdiaghg:inve : 9.45s CPU 9.45s WALL ( 17172 calls) cdiaghg:para : 15.69s CPU 16.03s WALL ( 34344 calls) Called by h_psi: h_psi:vloc : 172.54s CPU 175.06s WALL ( 18130 calls) h_psi:vnl : 34.69s CPU 34.92s WALL ( 18130 calls) add_vuspsi : 16.87s CPU 16.96s WALL ( 18130 calls) General routines calbec : 17.77s CPU 17.91s WALL ( 18130 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 158.43s CPU 160.51s WALL ( 1637208 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.43s WALL ( 514 calls) Parallel routines fft_scatter : 58.06s CPU 59.47s WALL ( 1637231 calls) PWSCF : 9m 7.70s CPU 9m25.98s WALL This run was terminated on: 14:22:30 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=