Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:44: 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: ./KYO2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 55 32 9 1179 518 85 Max 56 33 10 1181 530 88 Sum 1985 1153 347 42481 18831 3111 bravais-lattice index = 14 lattice parameter (alat) = 12.2495 a.u. unit-cell volume = 431.4493 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.249494 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.857543 celldm(5)= 0.857543 celldm(6)= 0.857543 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.857543 0.514412 0.000000 ) a(3) = ( 0.857543 0.237481 0.456314 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.667035 -1.011703 ) b(2) = ( 0.000000 1.943966 -1.011703 ) b(3) = ( 0.000000 0.000000 2.191472 ) PseudoPot. # 1 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. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) Y 11.00 88.90590 Y( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0092593 -0.0154355 -0.0093676), wk = 0.0028571 k( 3) = ( 0.0185185 -0.0308710 -0.0187352), wk = 0.0028571 k( 4) = ( 0.0277778 -0.0463065 -0.0281029), wk = 0.0028571 k( 5) = ( 0.0370370 -0.0617420 -0.0374705), wk = 0.0028571 k( 6) = ( 0.0462963 -0.0771775 -0.0468381), wk = 0.0028571 k( 7) = ( 0.0555556 -0.0926131 -0.0562057), wk = 0.0028571 k( 8) = ( 0.0648148 -0.1080485 -0.0655733), wk = 0.0028571 k( 9) = ( 0.0740741 -0.1234841 -0.0749409), wk = 0.0028571 k( 10) = ( 0.0833333 -0.1389196 -0.0843085), wk = 0.0028571 k( 11) = ( 0.0925926 -0.1543551 -0.0936762), wk = 0.0028571 k( 12) = ( 0.1018518 -0.1697906 -0.1030438), wk = 0.0028571 k( 13) = ( 0.1111111 -0.1852261 -0.1124114), wk = 0.0028571 k( 14) = ( 0.1203704 -0.2006616 -0.1217790), wk = 0.0028571 k( 15) = ( 0.1296296 -0.2160971 -0.1311466), wk = 0.0028571 k( 16) = ( 0.1388889 -0.2315326 -0.1405143), wk = 0.0028571 k( 17) = ( 0.1481482 -0.2469681 -0.1498819), wk = 0.0028571 k( 18) = ( 0.1574074 -0.2624036 -0.1592495), wk = 0.0028571 k( 19) = ( 0.1666667 -0.2778392 -0.1686171), wk = 0.0028571 k( 20) = ( 0.1759259 -0.2932747 -0.1779847), wk = 0.0028571 k( 21) = ( 0.1851852 -0.3087102 -0.1873523), wk = 0.0028571 k( 22) = ( 0.1944444 -0.3241457 -0.1967200), wk = 0.0028571 k( 23) = ( 0.2037037 -0.3395812 -0.2060876), wk = 0.0028571 k( 24) = ( 0.2129630 -0.3550167 -0.2154552), wk = 0.0028571 k( 25) = ( 0.2222222 -0.3704522 -0.2248228), wk = 0.0028571 k( 26) = ( 0.2314815 -0.3858877 -0.2341904), wk = 0.0028571 k( 27) = ( 0.2407407 -0.4013232 -0.2435580), wk = 0.0028571 k( 28) = ( 0.2500000 -0.4167587 -0.2529257), wk = 0.0028571 k( 29) = ( 0.2592593 -0.4321942 -0.2622933), wk = 0.0028571 k( 30) = ( 0.2685185 -0.4476297 -0.2716609), wk = 0.0028571 k( 31) = ( 0.2777778 -0.4630652 -0.2810285), wk = 0.0028571 k( 32) = ( 0.2870370 -0.4785008 -0.2903961), wk = 0.0028571 k( 33) = ( 0.2962963 -0.4939363 -0.2997637), wk = 0.0028571 k( 34) = ( 0.3055556 -0.5093718 -0.3091314), wk = 0.0028571 k( 35) = ( 0.3148148 -0.5248073 -0.3184990), wk = 0.0028571 k( 36) = ( 0.3240741 -0.5402428 -0.3278666), wk = 0.0028571 k( 37) = ( 0.3333333 -0.5556783 -0.3372342), wk = 0.0028571 k( 38) = ( 0.3425926 -0.5711138 -0.3466018), wk = 0.0028571 k( 39) = ( 0.3518519 -0.5865493 -0.3559694), wk = 0.0028571 k( 40) = ( 0.3611111 -0.6019848 -0.3653371), wk = 0.0028571 k( 41) = ( 0.3703704 -0.6174203 -0.3747047), wk = 0.0028571 k( 42) = ( 0.3796296 -0.6328558 -0.3840723), wk = 0.0028571 k( 43) = ( 0.3888889 -0.6482913 -0.3934399), wk = 0.0028571 k( 44) = ( 0.3981481 -0.6637269 -0.4028075), wk = 0.0028571 k( 45) = ( 0.4074074 -0.6791624 -0.4121752), wk = 0.0028571 k( 46) = ( 0.4166667 -0.6945979 -0.4215428), wk = 0.0028571 k( 47) = ( 0.4259259 -0.7100334 -0.4309104), wk = 0.0028571 k( 48) = ( 0.4351852 -0.7254689 -0.4402780), wk = 0.0028571 k( 49) = ( 0.4444444 -0.7409044 -0.4496456), wk = 0.0028571 k( 50) = ( 0.4537037 -0.7563399 -0.4590132), wk = 0.0028571 k( 51) = ( 0.4629630 -0.7717754 -0.4683808), wk = 0.0028571 k( 52) = ( 0.4722222 -0.7872109 -0.4777485), wk = 0.0028571 k( 53) = ( 0.4814815 -0.8026464 -0.4871161), wk = 0.0028571 k( 54) = ( 0.4907407 -0.8180819 -0.4964837), wk = 0.0028571 k( 55) = ( 0.5000000 -0.8335174 -0.5058513), wk = 0.0028571 k( 56) = ( 0.5000000 -0.8335174 -0.5058513), wk = 0.0028571 k( 57) = ( 0.5000000 -0.8229882 -0.5232009), wk = 0.0028571 k( 58) = ( 0.5000000 -0.8124590 -0.5405504), wk = 0.0028571 k( 59) = ( 0.5000000 -0.8019298 -0.5579000), wk = 0.0028571 k( 60) = ( 0.5000000 -0.7914006 -0.5752495), wk = 0.0028571 k( 61) = ( 0.5000000 -0.7808713 -0.5925990), wk = 0.0028571 k( 62) = ( 0.5000000 -0.7703421 -0.6099486), wk = 0.0028571 k( 63) = ( 0.5000000 -0.7598129 -0.6272981), wk = 0.0028571 k( 64) = ( 0.5000000 -0.7492837 -0.6446477), wk = 0.0028571 k( 65) = ( 0.5000000 -0.7387545 -0.6619972), wk = 0.0028571 k( 66) = ( 0.5000000 -0.7282252 -0.6793467), wk = 0.0028571 k( 67) = ( 0.5000000 -0.7176960 -0.6966963), wk = 0.0028571 k( 68) = ( 0.5000000 -0.7071668 -0.7140458), wk = 0.0028571 k( 69) = ( 0.5000000 -0.6966376 -0.7313954), wk = 0.0028571 k( 70) = ( 0.5000000 -0.6861084 -0.7487449), wk = 0.0028571 k( 71) = ( 0.5000000 -0.6755791 -0.7660945), wk = 0.0028571 k( 72) = ( 0.5000000 -0.6650499 -0.7834440), wk = 0.0028571 k( 73) = ( 0.5000000 -0.6545207 -0.8007935), wk = 0.0028571 k( 74) = ( 0.5000000 -0.6439915 -0.8181431), wk = 0.0028571 k( 75) = ( 0.5000000 -0.6334622 -0.8354926), wk = 0.0028571 k( 76) = ( 0.5000000 -0.6229330 -0.8528422), wk = 0.0028571 k( 77) = ( 0.5000000 -0.6124038 -0.8701917), wk = 0.0028571 k( 78) = ( 0.5000000 -0.6018746 -0.8875413), wk = 0.0028571 k( 79) = ( 0.5000000 -0.5913454 -0.9048908), wk = 0.0028571 k( 80) = ( 0.5000000 -0.5808161 -0.9222404), wk = 0.0028571 k( 81) = ( 0.5000000 -0.5702869 -0.9395899), wk = 0.0028571 k( 82) = ( 0.5000000 -0.5597577 -0.9569394), wk = 0.0028571 k( 83) = ( 0.5000000 -0.5492285 -0.9742890), wk = 0.0028571 k( 84) = ( 0.5000000 -0.5386993 -0.9916385), wk = 0.0028571 k( 85) = ( 0.5000000 -0.5281700 -1.0089880), wk = 0.0028571 k( 86) = ( 0.5000000 -0.5176408 -1.0263376), wk = 0.0028571 k( 87) = ( 0.5000000 -0.5071116 -1.0436871), wk = 0.0028571 k( 88) = ( 0.5000000 -0.4965824 -1.0610367), wk = 0.0028571 k( 89) = ( 0.5000000 -0.4860532 -1.0783862), wk = 0.0028571 k( 90) = ( 0.5000000 -0.4755239 -1.0957358), wk = 0.0028571 k( 91) = ( 0.8158438 -0.3880568 -0.9276695), wk = 0.0028571 k( 92) = ( 0.8103982 -0.3789789 -0.9102264), wk = 0.0028571 k( 93) = ( 0.8049526 -0.3699009 -0.8927832), wk = 0.0028571 k( 94) = ( 0.7995070 -0.3608229 -0.8753401), wk = 0.0028571 k( 95) = ( 0.7940614 -0.3517449 -0.8578969), wk = 0.0028571 k( 96) = ( 0.7886159 -0.3426670 -0.8404538), wk = 0.0028571 k( 97) = ( 0.7831703 -0.3335890 -0.8230106), wk = 0.0028571 k( 98) = ( 0.7777247 -0.3245110 -0.8055675), wk = 0.0028571 k( 99) = ( 0.7722791 -0.3154330 -0.7881243), wk = 0.0028571 k( 100) = ( 0.7668335 -0.3063551 -0.7706812), wk = 0.0028571 k( 101) = ( 0.7613880 -0.2972771 -0.7532380), wk = 0.0028571 k( 102) = ( 0.7559424 -0.2881991 -0.7357949), wk = 0.0028571 k( 103) = ( 0.7504968 -0.2791211 -0.7183517), wk = 0.0028571 k( 104) = ( 0.7450512 -0.2700432 -0.7009086), wk = 0.0028571 k( 105) = ( 0.7396056 -0.2609652 -0.6834654), wk = 0.0028571 k( 106) = ( 0.7341600 -0.2518872 -0.6660223), wk = 0.0028571 k( 107) = ( 0.7287145 -0.2428092 -0.6485791), wk = 0.0028571 k( 108) = ( 0.7232689 -0.2337313 -0.6311360), wk = 0.0028571 k( 109) = ( 0.7178233 -0.2246533 -0.6136928), wk = 0.0028571 k( 110) = ( 0.7123777 -0.2155753 -0.5962497), wk = 0.0028571 k( 111) = ( 0.7069321 -0.2064973 -0.5788065), wk = 0.0028571 k( 112) = ( 0.7014866 -0.1974194 -0.5613634), wk = 0.0028571 k( 113) = ( 0.6960410 -0.1883414 -0.5439202), wk = 0.0028571 k( 114) = ( 0.6905954 -0.1792634 -0.5264771), wk = 0.0028571 k( 115) = ( 0.6851498 -0.1701854 -0.5090339), wk = 0.0028571 k( 116) = ( 0.6797042 -0.1611075 -0.4915908), wk = 0.0028571 k( 117) = ( 0.6742586 -0.1520295 -0.4741476), wk = 0.0028571 k( 118) = ( 0.6688131 -0.1429515 -0.4567045), wk = 0.0028571 k( 119) = ( 0.6633675 -0.1338735 -0.4392613), wk = 0.0028571 k( 120) = ( 0.6579219 -0.1247955 -0.4218182), wk = 0.0028571 k( 121) = ( 0.6524763 -0.1157176 -0.4043750), wk = 0.0028571 k( 122) = ( 0.6470307 -0.1066396 -0.3869319), wk = 0.0028571 k( 123) = ( 0.6415851 -0.0975616 -0.3694887), wk = 0.0028571 k( 124) = ( 0.6361396 -0.0884836 -0.3520456), wk = 0.0028571 k( 125) = ( 0.6306940 -0.0794057 -0.3346024), wk = 0.0028571 k( 126) = ( 0.6252484 -0.0703277 -0.3171593), wk = 0.0028571 k( 127) = ( 0.6198028 -0.0612497 -0.2997161), wk = 0.0028571 k( 128) = ( 0.6143572 -0.0521717 -0.2822730), wk = 0.0028571 k( 129) = ( 0.6089117 -0.0430938 -0.2648299), wk = 0.0028571 k( 130) = ( 0.6034661 -0.0340158 -0.2473867), wk = 0.0028571 k( 131) = ( 0.5980205 -0.0249378 -0.2299435), wk = 0.0028571 k( 132) = ( 0.5925749 -0.0158598 -0.2125004), wk = 0.0028571 k( 133) = ( 0.5871293 -0.0067819 -0.1950573), wk = 0.0028571 k( 134) = ( 0.5816837 0.0022961 -0.1776141), wk = 0.0028571 k( 135) = ( 0.5762382 0.0113741 -0.1601709), wk = 0.0028571 k( 136) = ( 0.5707926 0.0204521 -0.1427278), wk = 0.0028571 k( 137) = ( 0.5653470 0.0295300 -0.1252847), wk = 0.0028571 k( 138) = ( 0.5599014 0.0386080 -0.1078415), wk = 0.0028571 k( 139) = ( 0.5544558 0.0476860 -0.0903983), wk = 0.0028571 k( 140) = ( 0.5490102 0.0567640 -0.0729552), wk = 0.0028571 k( 141) = ( 0.5435647 0.0658419 -0.0555121), wk = 0.0028571 k( 142) = ( 0.5381191 0.0749199 -0.0380689), wk = 0.0028571 k( 143) = ( 0.5326735 0.0839979 -0.0206257), wk = 0.0028571 k( 144) = ( 0.5272279 0.0930759 -0.0031826), wk = 0.0028571 k( 145) = ( 0.5217823 0.1021538 0.0142605), wk = 0.0028571 k( 146) = ( 0.5163368 0.1112318 0.0317037), wk = 0.0028571 k( 147) = ( 0.5108912 0.1203098 0.0491469), wk = 0.0028571 k( 148) = ( 0.5054456 0.1293878 0.0665900), wk = 0.0028571 k( 149) = ( 0.5000000 0.1384658 0.0840331), wk = 0.0028571 k( 150) = ( 0.5000000 0.1384658 0.0840331), wk = 0.0028571 k( 151) = ( 0.4807692 0.1331401 0.0808011), wk = 0.0028571 k( 152) = ( 0.4615385 0.1278145 0.0775690), wk = 0.0028571 k( 153) = ( 0.4423077 0.1224889 0.0743370), wk = 0.0028571 k( 154) = ( 0.4230769 0.1171633 0.0711050), wk = 0.0028571 k( 155) = ( 0.4038462 0.1118377 0.0678729), wk = 0.0028571 k( 156) = ( 0.3846154 0.1065121 0.0646409), wk = 0.0028571 k( 157) = ( 0.3653846 0.1011865 0.0614088), wk = 0.0028571 k( 158) = ( 0.3461538 0.0958609 0.0581768), wk = 0.0028571 k( 159) = ( 0.3269231 0.0905353 0.0549447), wk = 0.0028571 k( 160) = ( 0.3076923 0.0852097 0.0517127), wk = 0.0028571 k( 161) = ( 0.2884615 0.0798841 0.0484807), wk = 0.0028571 k( 162) = ( 0.2692308 0.0745585 0.0452486), wk = 0.0028571 k( 163) = ( 0.2500000 0.0692329 0.0420166), wk = 0.0028571 k( 164) = ( 0.2307692 0.0639073 0.0387845), wk = 0.0028571 k( 165) = ( 0.2115385 0.0585817 0.0355525), wk = 0.0028571 k( 166) = ( 0.1923077 0.0532561 0.0323204), wk = 0.0028571 k( 167) = ( 0.1730769 0.0479305 0.0290884), wk = 0.0028571 k( 168) = ( 0.1538461 0.0426048 0.0258563), wk = 0.0028571 k( 169) = ( 0.1346154 0.0372792 0.0226243), wk = 0.0028571 k( 170) = ( 0.1153846 0.0319536 0.0193923), wk = 0.0028571 k( 171) = ( 0.0961538 0.0266280 0.0161602), wk = 0.0028571 k( 172) = ( 0.0769231 0.0213024 0.0129282), wk = 0.0028571 k( 173) = ( 0.0576923 0.0159768 0.0096961), wk = 0.0028571 k( 174) = ( 0.0384615 0.0106512 0.0064641), wk = 0.0028571 k( 175) = ( 0.0192308 0.0053256 0.0032320), wk = 0.0028571 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 178) = ( 0.0054298 -0.0090517 -0.0173926), wk = 0.0028571 k( 179) = ( 0.0108596 -0.0181034 -0.0347853), wk = 0.0028571 k( 180) = ( 0.0162894 -0.0271550 -0.0521779), wk = 0.0028571 k( 181) = ( 0.0217192 -0.0362067 -0.0695705), wk = 0.0028571 k( 182) = ( 0.0271491 -0.0452584 -0.0869632), wk = 0.0028571 k( 183) = ( 0.0325789 -0.0543101 -0.1043558), wk = 0.0028571 k( 184) = ( 0.0380087 -0.0633618 -0.1217484), wk = 0.0028571 k( 185) = ( 0.0434385 -0.0724135 -0.1391410), wk = 0.0028571 k( 186) = ( 0.0488683 -0.0814652 -0.1565337), wk = 0.0028571 k( 187) = ( 0.0542981 -0.0905168 -0.1739263), wk = 0.0028571 k( 188) = ( 0.0597279 -0.0995685 -0.1913189), wk = 0.0028571 k( 189) = ( 0.0651577 -0.1086202 -0.2087116), wk = 0.0028571 k( 190) = ( 0.0705875 -0.1176719 -0.2261042), wk = 0.0028571 k( 191) = ( 0.0760174 -0.1267236 -0.2434968), wk = 0.0028571 k( 192) = ( 0.0814472 -0.1357753 -0.2608895), wk = 0.0028571 k( 193) = ( 0.0868770 -0.1448270 -0.2782821), wk = 0.0028571 k( 194) = ( 0.0923068 -0.1538786 -0.2956747), wk = 0.0028571 k( 195) = ( 0.0977366 -0.1629303 -0.3130674), wk = 0.0028571 k( 196) = ( 0.1031664 -0.1719820 -0.3304600), wk = 0.0028571 k( 197) = ( 0.1085962 -0.1810337 -0.3478526), wk = 0.0028571 k( 198) = ( 0.1140260 -0.1900854 -0.3652453), wk = 0.0028571 k( 199) = ( 0.1194559 -0.1991371 -0.3826379), wk = 0.0028571 k( 200) = ( 0.1248857 -0.2081888 -0.4000305), wk = 0.0028571 k( 201) = ( 0.1303155 -0.2172404 -0.4174231), wk = 0.0028571 k( 202) = ( 0.1357453 -0.2262921 -0.4348158), wk = 0.0028571 k( 203) = ( 0.1411751 -0.2353438 -0.4522084), wk = 0.0028571 k( 204) = ( 0.1466049 -0.2443955 -0.4696010), wk = 0.0028571 k( 205) = ( 0.1520347 -0.2534472 -0.4869937), wk = 0.0028571 k( 206) = ( 0.1574645 -0.2624989 -0.5043863), wk = 0.0028571 k( 207) = ( 0.1628943 -0.2715505 -0.5217789), wk = 0.0028571 k( 208) = ( 0.1683242 -0.2806022 -0.5391716), wk = 0.0028571 k( 209) = ( 0.1737540 -0.2896539 -0.5565642), wk = 0.0028571 k( 210) = ( 0.1791838 -0.2987056 -0.5739568), wk = 0.0028571 k( 211) = ( 0.1846136 -0.3077573 -0.5913495), wk = 0.0028571 k( 212) = ( 0.1900434 -0.3168090 -0.6087421), wk = 0.0028571 k( 213) = ( 0.1954732 -0.3258607 -0.6261347), wk = 0.0028571 k( 214) = ( 0.2009030 -0.3349123 -0.6435274), wk = 0.0028571 k( 215) = ( 0.2063328 -0.3439640 -0.6609200), wk = 0.0028571 k( 216) = ( 0.2117626 -0.3530157 -0.6783126), wk = 0.0028571 k( 217) = ( 0.2171925 -0.3620674 -0.6957052), wk = 0.0028571 k( 218) = ( 0.2226223 -0.3711191 -0.7130979), wk = 0.0028571 k( 219) = ( 0.2280521 -0.3801708 -0.7304905), wk = 0.0028571 k( 220) = ( 0.2334819 -0.3892224 -0.7478831), wk = 0.0028571 k( 221) = ( 0.2389117 -0.3982741 -0.7652758), wk = 0.0028571 k( 222) = ( 0.2443415 -0.4073258 -0.7826684), wk = 0.0028571 k( 223) = ( 0.2497713 -0.4163775 -0.8000610), wk = 0.0028571 k( 224) = ( 0.2552011 -0.4254292 -0.8174537), wk = 0.0028571 k( 225) = ( 0.2606309 -0.4344809 -0.8348463), wk = 0.0028571 k( 226) = ( 0.2660608 -0.4435326 -0.8522389), wk = 0.0028571 k( 227) = ( 0.2714906 -0.4525842 -0.8696316), wk = 0.0028571 k( 228) = ( 0.2769204 -0.4616359 -0.8870242), wk = 0.0028571 k( 229) = ( 0.2823502 -0.4706876 -0.9044168), wk = 0.0028571 k( 230) = ( 0.2877800 -0.4797393 -0.9218095), wk = 0.0028571 k( 231) = ( 0.2932098 -0.4887910 -0.9392021), wk = 0.0028571 k( 232) = ( 0.2986396 -0.4978427 -0.9565947), wk = 0.0028571 k( 233) = ( 0.3040694 -0.5068943 -0.9739873), wk = 0.0028571 k( 234) = ( 0.3094992 -0.5159460 -0.9913800), wk = 0.0028571 k( 235) = ( 0.3149290 -0.5249977 -1.0087726), wk = 0.0028571 k( 236) = ( 0.3203589 -0.5340494 -1.0261653), wk = 0.0028571 k( 237) = ( 0.3257887 -0.5431011 -1.0435579), wk = 0.0028571 k( 238) = ( 0.3312185 -0.5521528 -1.0609505), wk = 0.0028571 k( 239) = ( 0.3366483 -0.5612045 -1.0783431), wk = 0.0028571 k( 240) = ( 0.3420781 -0.5702561 -1.0957358), wk = 0.0028571 k( 241) = ( 0.6579219 -0.4317904 -1.0117026), wk = 0.0028571 k( 242) = ( 0.6524763 -0.4121264 -1.0117026), wk = 0.0028571 k( 243) = ( 0.6470307 -0.3924624 -1.0117026), wk = 0.0028571 k( 244) = ( 0.6415851 -0.3727984 -1.0117026), wk = 0.0028571 k( 245) = ( 0.6361396 -0.3531344 -1.0117026), wk = 0.0028571 k( 246) = ( 0.6306940 -0.3334704 -1.0117026), wk = 0.0028571 k( 247) = ( 0.6252484 -0.3138064 -1.0117026), wk = 0.0028571 k( 248) = ( 0.6198028 -0.2941423 -1.0117026), wk = 0.0028571 k( 249) = ( 0.6143572 -0.2744784 -1.0117026), wk = 0.0028571 k( 250) = ( 0.6089117 -0.2548144 -1.0117026), wk = 0.0028571 k( 251) = ( 0.6034661 -0.2351504 -1.0117026), wk = 0.0028571 k( 252) = ( 0.5980205 -0.2154863 -1.0117026), wk = 0.0028571 k( 253) = ( 0.5925749 -0.1958223 -1.0117026), wk = 0.0028571 k( 254) = ( 0.5871293 -0.1761583 -1.0117026), wk = 0.0028571 k( 255) = ( 0.5816837 -0.1564943 -1.0117026), wk = 0.0028571 k( 256) = ( 0.5762382 -0.1368303 -1.0117026), wk = 0.0028571 k( 257) = ( 0.5707926 -0.1171663 -1.0117026), wk = 0.0028571 k( 258) = ( 0.5653470 -0.0975023 -1.0117026), wk = 0.0028571 k( 259) = ( 0.5599014 -0.0778383 -1.0117026), wk = 0.0028571 k( 260) = ( 0.5544558 -0.0581743 -1.0117026), wk = 0.0028571 k( 261) = ( 0.5490102 -0.0385103 -1.0117026), wk = 0.0028571 k( 262) = ( 0.5435647 -0.0188463 -1.0117026), wk = 0.0028571 k( 263) = ( 0.5381191 0.0008177 -1.0117026), wk = 0.0028571 k( 264) = ( 0.5326735 0.0204817 -1.0117026), wk = 0.0028571 k( 265) = ( 0.5272279 0.0401457 -1.0117026), wk = 0.0028571 k( 266) = ( 0.5217823 0.0598097 -1.0117026), wk = 0.0028571 k( 267) = ( 0.5163368 0.0794737 -1.0117026), wk = 0.0028571 k( 268) = ( 0.5108912 0.0991378 -1.0117026), wk = 0.0028571 k( 269) = ( 0.5054456 0.1188018 -1.0117026), wk = 0.0028571 k( 270) = ( 0.5000000 0.1384658 -1.0117026), wk = 0.0028571 k( 271) = ( 0.5000000 0.1384658 -1.0117026), wk = 0.0028571 k( 272) = ( 0.5175469 0.1433250 -1.0023656), wk = 0.0028571 k( 273) = ( 0.5350938 0.1481843 -0.9930286), wk = 0.0028571 k( 274) = ( 0.5526406 0.1530436 -0.9836916), wk = 0.0028571 k( 275) = ( 0.5701875 0.1579029 -0.9743546), wk = 0.0028571 k( 276) = ( 0.5877344 0.1627622 -0.9650176), wk = 0.0028571 k( 277) = ( 0.6052813 0.1676214 -0.9556806), wk = 0.0028571 k( 278) = ( 0.6228281 0.1724807 -0.9463435), wk = 0.0028571 k( 279) = ( 0.6403750 0.1773400 -0.9370065), wk = 0.0028571 k( 280) = ( 0.6579219 0.1821993 -0.9276695), wk = 0.0028571 k( 281) = ( 0.6579219 0.1821993 -0.9276695), wk = 0.0028571 k( 282) = ( 0.6547635 0.1813246 -0.9074354), wk = 0.0028571 k( 283) = ( 0.6516050 0.1804500 -0.8872014), wk = 0.0028571 k( 284) = ( 0.6484466 0.1795753 -0.8669673), wk = 0.0028571 k( 285) = ( 0.6452881 0.1787006 -0.8467333), wk = 0.0028571 k( 286) = ( 0.6421297 0.1778259 -0.8264992), wk = 0.0028571 k( 287) = ( 0.6389713 0.1769513 -0.8062652), wk = 0.0028571 k( 288) = ( 0.6358128 0.1760766 -0.7860311), wk = 0.0028571 k( 289) = ( 0.6326544 0.1752019 -0.7657971), wk = 0.0028571 k( 290) = ( 0.6294960 0.1743273 -0.7455630), wk = 0.0028571 k( 291) = ( 0.6263375 0.1734526 -0.7253290), wk = 0.0028571 k( 292) = ( 0.6231791 0.1725779 -0.7050949), wk = 0.0028571 k( 293) = ( 0.6200206 0.1717032 -0.6848609), wk = 0.0028571 k( 294) = ( 0.6168622 0.1708286 -0.6646268), wk = 0.0028571 k( 295) = ( 0.6137038 0.1699539 -0.6443928), wk = 0.0028571 k( 296) = ( 0.6105453 0.1690792 -0.6241587), wk = 0.0028571 k( 297) = ( 0.6073869 0.1682046 -0.6039247), wk = 0.0028571 k( 298) = ( 0.6042285 0.1673299 -0.5836906), wk = 0.0028571 k( 299) = ( 0.6010700 0.1664552 -0.5634566), wk = 0.0028571 k( 300) = ( 0.5979116 0.1655805 -0.5432225), wk = 0.0028571 k( 301) = ( 0.5947531 0.1647059 -0.5229884), wk = 0.0028571 k( 302) = ( 0.5915947 0.1638312 -0.5027544), wk = 0.0028571 k( 303) = ( 0.5884363 0.1629565 -0.4825204), wk = 0.0028571 k( 304) = ( 0.5852778 0.1620819 -0.4622863), wk = 0.0028571 k( 305) = ( 0.5821194 0.1612072 -0.4420522), wk = 0.0028571 k( 306) = ( 0.5789609 0.1603325 -0.4218182), wk = 0.0028571 k( 307) = ( 0.5758025 0.1594579 -0.4015841), wk = 0.0028571 k( 308) = ( 0.5726441 0.1585832 -0.3813501), wk = 0.0028571 k( 309) = ( 0.5694856 0.1577085 -0.3611160), wk = 0.0028571 k( 310) = ( 0.5663272 0.1568338 -0.3408820), wk = 0.0028571 k( 311) = ( 0.5631688 0.1559592 -0.3206479), wk = 0.0028571 k( 312) = ( 0.5600103 0.1550845 -0.3004139), wk = 0.0028571 k( 313) = ( 0.5568519 0.1542098 -0.2801798), wk = 0.0028571 k( 314) = ( 0.5536934 0.1533352 -0.2599457), wk = 0.0028571 k( 315) = ( 0.5505350 0.1524605 -0.2397117), wk = 0.0028571 k( 316) = ( 0.5473766 0.1515858 -0.2194777), wk = 0.0028571 k( 317) = ( 0.5442181 0.1507111 -0.1992436), wk = 0.0028571 k( 318) = ( 0.5410597 0.1498365 -0.1790095), wk = 0.0028571 k( 319) = ( 0.5379012 0.1489618 -0.1587755), wk = 0.0028571 k( 320) = ( 0.5347428 0.1480871 -0.1385415), wk = 0.0028571 k( 321) = ( 0.5315844 0.1472125 -0.1183074), wk = 0.0028571 k( 322) = ( 0.5284259 0.1463378 -0.0980733), wk = 0.0028571 k( 323) = ( 0.5252675 0.1454631 -0.0778393), wk = 0.0028571 k( 324) = ( 0.5221091 0.1445884 -0.0576052), wk = 0.0028571 k( 325) = ( 0.5189506 0.1437138 -0.0373712), wk = 0.0028571 k( 326) = ( 0.5157922 0.1428391 -0.0171371), wk = 0.0028571 k( 327) = ( 0.5126337 0.1419644 0.0030969), wk = 0.0028571 k( 328) = ( 0.5094753 0.1410898 0.0233310), wk = 0.0028571 k( 329) = ( 0.5063169 0.1402151 0.0435650), wk = 0.0028571 k( 330) = ( 0.5031584 0.1393404 0.0637991), wk = 0.0028571 k( 331) = ( 0.5000000 0.1384658 0.0840331), wk = 0.0028571 k( 332) = ( 0.5000000 -0.8335174 -0.5058513), wk = 0.0028571 k( 333) = ( 0.5175469 -0.8258249 -0.5011828), wk = 0.0028571 k( 334) = ( 0.5350938 -0.8181323 -0.4965143), wk = 0.0028571 k( 335) = ( 0.5526406 -0.8104398 -0.4918458), wk = 0.0028571 k( 336) = ( 0.5701875 -0.8027473 -0.4871773), wk = 0.0028571 k( 337) = ( 0.5877344 -0.7950547 -0.4825088), wk = 0.0028571 k( 338) = ( 0.6052813 -0.7873622 -0.4778403), wk = 0.0028571 k( 339) = ( 0.6228281 -0.7796696 -0.4731718), wk = 0.0028571 k( 340) = ( 0.6403750 -0.7719771 -0.4685033), wk = 0.0028571 k( 341) = ( 0.6579219 -0.7642846 -0.4638347), wk = 0.0028571 k( 342) = ( 0.6754688 -0.7565920 -0.4591663), wk = 0.0028571 k( 343) = ( 0.6930156 -0.7488995 -0.4544977), wk = 0.0028571 k( 344) = ( 0.7105625 -0.7412069 -0.4498292), wk = 0.0028571 k( 345) = ( 0.7281094 -0.7335144 -0.4451607), wk = 0.0028571 k( 346) = ( 0.7456563 -0.7258219 -0.4404922), wk = 0.0028571 k( 347) = ( 0.7632032 -0.7181293 -0.4358237), wk = 0.0028571 k( 348) = ( 0.7807500 -0.7104368 -0.4311552), wk = 0.0028571 k( 349) = ( 0.7982969 -0.7027442 -0.4264867), wk = 0.0028571 k( 350) = ( 0.8158438 -0.6950517 -0.4218182), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0092593 -0.0000000 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0185185 -0.0000000 -0.0000000), wk = 0.0028571 k( 4) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0028571 k( 5) = ( 0.0370370 -0.0000000 -0.0000000), wk = 0.0028571 k( 6) = ( 0.0462963 -0.0000000 -0.0000000), wk = 0.0028571 k( 7) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0028571 k( 8) = ( 0.0648148 -0.0000000 -0.0000000), wk = 0.0028571 k( 9) = ( 0.0740741 -0.0000000 -0.0000000), wk = 0.0028571 k( 10) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0028571 k( 11) = ( 0.0925926 -0.0000000 -0.0000000), wk = 0.0028571 k( 12) = ( 0.1018518 -0.0000000 -0.0000000), wk = 0.0028571 k( 13) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0028571 k( 14) = ( 0.1203704 -0.0000000 -0.0000000), wk = 0.0028571 k( 15) = ( 0.1296296 -0.0000000 -0.0000000), wk = 0.0028571 k( 16) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0028571 k( 17) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0028571 k( 18) = ( 0.1574074 -0.0000000 -0.0000000), wk = 0.0028571 k( 19) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0028571 k( 20) = ( 0.1759259 -0.0000000 -0.0000000), wk = 0.0028571 k( 21) = ( 0.1851852 -0.0000000 -0.0000000), wk = 0.0028571 k( 22) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0028571 k( 23) = ( 0.2037037 -0.0000000 -0.0000000), wk = 0.0028571 k( 24) = ( 0.2129630 -0.0000000 -0.0000000), wk = 0.0028571 k( 25) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0028571 k( 26) = ( 0.2314815 -0.0000000 -0.0000000), wk = 0.0028571 k( 27) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0028571 k( 28) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0028571 k( 29) = ( 0.2592593 -0.0000000 -0.0000000), wk = 0.0028571 k( 30) = ( 0.2685185 -0.0000000 -0.0000000), wk = 0.0028571 k( 31) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0028571 k( 32) = ( 0.2870370 -0.0000000 -0.0000000), wk = 0.0028571 k( 33) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0028571 k( 34) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0028571 k( 35) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0028571 k( 36) = ( 0.3240741 -0.0000000 -0.0000000), wk = 0.0028571 k( 37) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0028571 k( 38) = ( 0.3425926 -0.0000000 -0.0000000), wk = 0.0028571 k( 39) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0028571 k( 40) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0028571 k( 41) = ( 0.3703704 -0.0000000 -0.0000000), wk = 0.0028571 k( 42) = ( 0.3796296 -0.0000000 -0.0000000), wk = 0.0028571 k( 43) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0028571 k( 44) = ( 0.3981481 -0.0000000 -0.0000000), wk = 0.0028571 k( 45) = ( 0.4074074 -0.0000000 -0.0000000), wk = 0.0028571 k( 46) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0028571 k( 47) = ( 0.4259259 -0.0000000 -0.0000000), wk = 0.0028571 k( 48) = ( 0.4351852 -0.0000000 -0.0000000), wk = 0.0028571 k( 49) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0028571 k( 50) = ( 0.4537037 -0.0000000 -0.0000000), wk = 0.0028571 k( 51) = ( 0.4629630 -0.0000000 -0.0000000), wk = 0.0028571 k( 52) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0028571 k( 53) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0028571 k( 54) = ( 0.4907407 -0.0000000 -0.0000000), wk = 0.0028571 k( 55) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028571 k( 56) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028571 k( 57) = ( 0.5000000 0.0054164 -0.0054164), wk = 0.0028571 k( 58) = ( 0.5000000 0.0108327 -0.0108327), wk = 0.0028571 k( 59) = ( 0.5000000 0.0162491 -0.0162491), wk = 0.0028571 k( 60) = ( 0.5000000 0.0216654 -0.0216654), wk = 0.0028571 k( 61) = ( 0.5000000 0.0270818 -0.0270818), wk = 0.0028571 k( 62) = ( 0.5000000 0.0324982 -0.0324982), wk = 0.0028571 k( 63) = ( 0.5000000 0.0379145 -0.0379145), wk = 0.0028571 k( 64) = ( 0.5000000 0.0433309 -0.0433309), wk = 0.0028571 k( 65) = ( 0.5000000 0.0487472 -0.0487472), wk = 0.0028571 k( 66) = ( 0.5000000 0.0541636 -0.0541636), wk = 0.0028571 k( 67) = ( 0.5000000 0.0595799 -0.0595800), wk = 0.0028571 k( 68) = ( 0.5000000 0.0649963 -0.0649963), wk = 0.0028571 k( 69) = ( 0.5000000 0.0704127 -0.0704127), wk = 0.0028571 k( 70) = ( 0.5000000 0.0758290 -0.0758290), wk = 0.0028571 k( 71) = ( 0.5000000 0.0812454 -0.0812454), wk = 0.0028571 k( 72) = ( 0.5000000 0.0866617 -0.0866618), wk = 0.0028571 k( 73) = ( 0.5000000 0.0920781 -0.0920781), wk = 0.0028571 k( 74) = ( 0.5000000 0.0974945 -0.0974945), wk = 0.0028571 k( 75) = ( 0.5000000 0.1029108 -0.1029108), wk = 0.0028571 k( 76) = ( 0.5000000 0.1083272 -0.1083272), wk = 0.0028571 k( 77) = ( 0.5000000 0.1137435 -0.1137436), wk = 0.0028571 k( 78) = ( 0.5000000 0.1191599 -0.1191599), wk = 0.0028571 k( 79) = ( 0.5000000 0.1245763 -0.1245763), wk = 0.0028571 k( 80) = ( 0.5000000 0.1299926 -0.1299926), wk = 0.0028571 k( 81) = ( 0.5000000 0.1354090 -0.1354090), wk = 0.0028571 k( 82) = ( 0.5000000 0.1408253 -0.1408254), wk = 0.0028571 k( 83) = ( 0.5000000 0.1462417 -0.1462417), wk = 0.0028571 k( 84) = ( 0.5000000 0.1516581 -0.1516581), wk = 0.0028571 k( 85) = ( 0.5000000 0.1570744 -0.1570744), wk = 0.0028571 k( 86) = ( 0.5000000 0.1624908 -0.1624908), wk = 0.0028571 k( 87) = ( 0.5000000 0.1679071 -0.1679071), wk = 0.0028571 k( 88) = ( 0.5000000 0.1733235 -0.1733235), wk = 0.0028571 k( 89) = ( 0.5000000 0.1787399 -0.1787399), wk = 0.0028571 k( 90) = ( 0.5000000 0.1841562 -0.1841562), wk = 0.0028571 k( 91) = ( 0.8158438 0.5000000 0.1841562), wk = 0.0028571 k( 92) = ( 0.8103982 0.5000000 0.1896018), wk = 0.0028571 k( 93) = ( 0.8049526 0.5000000 0.1950474), wk = 0.0028571 k( 94) = ( 0.7995070 0.5000000 0.2004930), wk = 0.0028571 k( 95) = ( 0.7940614 0.5000000 0.2059385), wk = 0.0028571 k( 96) = ( 0.7886159 0.5000000 0.2113841), wk = 0.0028571 k( 97) = ( 0.7831703 0.5000000 0.2168297), wk = 0.0028571 k( 98) = ( 0.7777247 0.5000000 0.2222753), wk = 0.0028571 k( 99) = ( 0.7722791 0.5000000 0.2277209), wk = 0.0028571 k( 100) = ( 0.7668335 0.5000000 0.2331665), wk = 0.0028571 k( 101) = ( 0.7613880 0.5000000 0.2386120), wk = 0.0028571 k( 102) = ( 0.7559424 0.5000000 0.2440576), wk = 0.0028571 k( 103) = ( 0.7504968 0.5000000 0.2495032), wk = 0.0028571 k( 104) = ( 0.7450512 0.5000000 0.2549488), wk = 0.0028571 k( 105) = ( 0.7396056 0.5000000 0.2603944), wk = 0.0028571 k( 106) = ( 0.7341600 0.5000000 0.2658400), wk = 0.0028571 k( 107) = ( 0.7287145 0.5000000 0.2712855), wk = 0.0028571 k( 108) = ( 0.7232689 0.5000000 0.2767311), wk = 0.0028571 k( 109) = ( 0.7178233 0.5000000 0.2821767), wk = 0.0028571 k( 110) = ( 0.7123777 0.5000000 0.2876223), wk = 0.0028571 k( 111) = ( 0.7069321 0.5000000 0.2930679), wk = 0.0028571 k( 112) = ( 0.7014866 0.5000000 0.2985134), wk = 0.0028571 k( 113) = ( 0.6960410 0.5000000 0.3039590), wk = 0.0028571 k( 114) = ( 0.6905954 0.5000000 0.3094046), wk = 0.0028571 k( 115) = ( 0.6851498 0.5000000 0.3148502), wk = 0.0028571 k( 116) = ( 0.6797042 0.5000000 0.3202958), wk = 0.0028571 k( 117) = ( 0.6742586 0.5000000 0.3257414), wk = 0.0028571 k( 118) = ( 0.6688131 0.5000000 0.3311869), wk = 0.0028571 k( 119) = ( 0.6633675 0.5000000 0.3366325), wk = 0.0028571 k( 120) = ( 0.6579219 0.5000000 0.3420781), wk = 0.0028571 k( 121) = ( 0.6524763 0.5000000 0.3475237), wk = 0.0028571 k( 122) = ( 0.6470307 0.5000000 0.3529693), wk = 0.0028571 k( 123) = ( 0.6415851 0.5000000 0.3584149), wk = 0.0028571 k( 124) = ( 0.6361396 0.5000000 0.3638604), wk = 0.0028571 k( 125) = ( 0.6306940 0.5000000 0.3693060), wk = 0.0028571 k( 126) = ( 0.6252484 0.5000000 0.3747516), wk = 0.0028571 k( 127) = ( 0.6198028 0.5000000 0.3801972), wk = 0.0028571 k( 128) = ( 0.6143572 0.5000000 0.3856428), wk = 0.0028571 k( 129) = ( 0.6089117 0.5000000 0.3910883), wk = 0.0028571 k( 130) = ( 0.6034661 0.5000000 0.3965339), wk = 0.0028571 k( 131) = ( 0.5980205 0.5000000 0.4019795), wk = 0.0028571 k( 132) = ( 0.5925749 0.5000000 0.4074251), wk = 0.0028571 k( 133) = ( 0.5871293 0.5000000 0.4128707), wk = 0.0028571 k( 134) = ( 0.5816837 0.5000000 0.4183163), wk = 0.0028571 k( 135) = ( 0.5762382 0.5000000 0.4237618), wk = 0.0028571 k( 136) = ( 0.5707926 0.5000000 0.4292074), wk = 0.0028571 k( 137) = ( 0.5653470 0.5000000 0.4346530), wk = 0.0028571 k( 138) = ( 0.5599014 0.5000000 0.4400986), wk = 0.0028571 k( 139) = ( 0.5544558 0.5000000 0.4455442), wk = 0.0028571 k( 140) = ( 0.5490102 0.5000000 0.4509898), wk = 0.0028571 k( 141) = ( 0.5435647 0.5000000 0.4564353), wk = 0.0028571 k( 142) = ( 0.5381191 0.5000000 0.4618809), wk = 0.0028571 k( 143) = ( 0.5326735 0.5000000 0.4673265), wk = 0.0028571 k( 144) = ( 0.5272279 0.5000000 0.4727721), wk = 0.0028571 k( 145) = ( 0.5217823 0.5000000 0.4782177), wk = 0.0028571 k( 146) = ( 0.5163368 0.5000000 0.4836632), wk = 0.0028571 k( 147) = ( 0.5108912 0.5000000 0.4891088), wk = 0.0028571 k( 148) = ( 0.5054456 0.5000000 0.4945544), wk = 0.0028571 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 151) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0028571 k( 152) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0028571 k( 153) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0028571 k( 154) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0028571 k( 155) = ( 0.4038462 0.4038462 0.4038461), wk = 0.0028571 k( 156) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0028571 k( 157) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0028571 k( 158) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0028571 k( 159) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0028571 k( 160) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0028571 k( 161) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0028571 k( 162) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0028571 k( 163) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 164) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0028571 k( 165) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0028571 k( 166) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0028571 k( 167) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0028571 k( 168) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0028571 k( 169) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0028571 k( 170) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0028571 k( 171) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0028571 k( 172) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0028571 k( 173) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0028571 k( 174) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0028571 k( 175) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0028571 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 178) = ( 0.0054298 -0.0000000 -0.0054298), wk = 0.0028571 k( 179) = ( 0.0108596 -0.0000000 -0.0108596), wk = 0.0028571 k( 180) = ( 0.0162894 -0.0000000 -0.0162894), wk = 0.0028571 k( 181) = ( 0.0217192 -0.0000000 -0.0217193), wk = 0.0028571 k( 182) = ( 0.0271491 -0.0000000 -0.0271491), wk = 0.0028571 k( 183) = ( 0.0325789 -0.0000000 -0.0325789), wk = 0.0028571 k( 184) = ( 0.0380087 -0.0000000 -0.0380087), wk = 0.0028571 k( 185) = ( 0.0434385 -0.0000000 -0.0434385), wk = 0.0028571 k( 186) = ( 0.0488683 -0.0000000 -0.0488683), wk = 0.0028571 k( 187) = ( 0.0542981 -0.0000000 -0.0542981), wk = 0.0028571 k( 188) = ( 0.0597279 -0.0000000 -0.0597279), wk = 0.0028571 k( 189) = ( 0.0651577 -0.0000000 -0.0651577), wk = 0.0028571 k( 190) = ( 0.0705875 -0.0000000 -0.0705876), wk = 0.0028571 k( 191) = ( 0.0760174 -0.0000000 -0.0760174), wk = 0.0028571 k( 192) = ( 0.0814472 -0.0000000 -0.0814472), wk = 0.0028571 k( 193) = ( 0.0868770 -0.0000000 -0.0868770), wk = 0.0028571 k( 194) = ( 0.0923068 -0.0000000 -0.0923068), wk = 0.0028571 k( 195) = ( 0.0977366 -0.0000000 -0.0977366), wk = 0.0028571 k( 196) = ( 0.1031664 -0.0000000 -0.1031664), wk = 0.0028571 k( 197) = ( 0.1085962 -0.0000000 -0.1085962), wk = 0.0028571 k( 198) = ( 0.1140260 -0.0000000 -0.1140260), wk = 0.0028571 k( 199) = ( 0.1194559 -0.0000000 -0.1194559), wk = 0.0028571 k( 200) = ( 0.1248857 -0.0000000 -0.1248857), wk = 0.0028571 k( 201) = ( 0.1303155 -0.0000000 -0.1303155), wk = 0.0028571 k( 202) = ( 0.1357453 -0.0000000 -0.1357453), wk = 0.0028571 k( 203) = ( 0.1411751 -0.0000000 -0.1411751), wk = 0.0028571 k( 204) = ( 0.1466049 0.0000000 -0.1466049), wk = 0.0028571 k( 205) = ( 0.1520347 -0.0000000 -0.1520347), wk = 0.0028571 k( 206) = ( 0.1574645 -0.0000000 -0.1574645), wk = 0.0028571 k( 207) = ( 0.1628943 -0.0000000 -0.1628943), wk = 0.0028571 k( 208) = ( 0.1683242 -0.0000000 -0.1683242), wk = 0.0028571 k( 209) = ( 0.1737540 -0.0000000 -0.1737540), wk = 0.0028571 k( 210) = ( 0.1791838 -0.0000000 -0.1791838), wk = 0.0028571 k( 211) = ( 0.1846136 -0.0000000 -0.1846136), wk = 0.0028571 k( 212) = ( 0.1900434 -0.0000000 -0.1900434), wk = 0.0028571 k( 213) = ( 0.1954732 -0.0000000 -0.1954732), wk = 0.0028571 k( 214) = ( 0.2009030 -0.0000000 -0.2009030), wk = 0.0028571 k( 215) = ( 0.2063328 -0.0000000 -0.2063328), wk = 0.0028571 k( 216) = ( 0.2117626 -0.0000000 -0.2117626), wk = 0.0028571 k( 217) = ( 0.2171925 -0.0000000 -0.2171925), wk = 0.0028571 k( 218) = ( 0.2226223 -0.0000000 -0.2226223), wk = 0.0028571 k( 219) = ( 0.2280521 -0.0000000 -0.2280521), wk = 0.0028571 k( 220) = ( 0.2334819 -0.0000000 -0.2334819), wk = 0.0028571 k( 221) = ( 0.2389117 -0.0000000 -0.2389117), wk = 0.0028571 k( 222) = ( 0.2443415 -0.0000000 -0.2443415), wk = 0.0028571 k( 223) = ( 0.2497713 -0.0000000 -0.2497713), wk = 0.0028571 k( 224) = ( 0.2552011 -0.0000000 -0.2552011), wk = 0.0028571 k( 225) = ( 0.2606309 -0.0000000 -0.2606309), wk = 0.0028571 k( 226) = ( 0.2660608 -0.0000000 -0.2660608), wk = 0.0028571 k( 227) = ( 0.2714906 -0.0000000 -0.2714906), wk = 0.0028571 k( 228) = ( 0.2769204 -0.0000000 -0.2769204), wk = 0.0028571 k( 229) = ( 0.2823502 -0.0000000 -0.2823502), wk = 0.0028571 k( 230) = ( 0.2877800 -0.0000000 -0.2877800), wk = 0.0028571 k( 231) = ( 0.2932098 -0.0000000 -0.2932098), wk = 0.0028571 k( 232) = ( 0.2986396 -0.0000000 -0.2986396), wk = 0.0028571 k( 233) = ( 0.3040694 -0.0000000 -0.3040694), wk = 0.0028571 k( 234) = ( 0.3094992 -0.0000000 -0.3094992), wk = 0.0028571 k( 235) = ( 0.3149290 -0.0000000 -0.3149291), wk = 0.0028571 k( 236) = ( 0.3203589 0.0000000 -0.3203589), wk = 0.0028571 k( 237) = ( 0.3257887 -0.0000000 -0.3257887), wk = 0.0028571 k( 238) = ( 0.3312185 -0.0000000 -0.3312185), wk = 0.0028571 k( 239) = ( 0.3366483 -0.0000000 -0.3366483), wk = 0.0028571 k( 240) = ( 0.3420781 0.0000000 -0.3420781), wk = 0.0028571 k( 241) = ( 0.6579219 0.3420781 -0.0000000), wk = 0.0028571 k( 242) = ( 0.6524763 0.3475237 -0.0000000), wk = 0.0028571 k( 243) = ( 0.6470307 0.3529693 -0.0000000), wk = 0.0028571 k( 244) = ( 0.6415851 0.3584149 0.0000000), wk = 0.0028571 k( 245) = ( 0.6361396 0.3638604 -0.0000000), wk = 0.0028571 k( 246) = ( 0.6306940 0.3693060 0.0000000), wk = 0.0028571 k( 247) = ( 0.6252484 0.3747516 -0.0000000), wk = 0.0028571 k( 248) = ( 0.6198028 0.3801972 -0.0000000), wk = 0.0028571 k( 249) = ( 0.6143572 0.3856428 -0.0000000), wk = 0.0028571 k( 250) = ( 0.6089117 0.3910883 0.0000000), wk = 0.0028571 k( 251) = ( 0.6034661 0.3965339 -0.0000000), wk = 0.0028571 k( 252) = ( 0.5980205 0.4019795 -0.0000000), wk = 0.0028571 k( 253) = ( 0.5925749 0.4074251 0.0000000), wk = 0.0028571 k( 254) = ( 0.5871293 0.4128707 -0.0000000), wk = 0.0028571 k( 255) = ( 0.5816837 0.4183163 0.0000000), wk = 0.0028571 k( 256) = ( 0.5762382 0.4237618 0.0000000), wk = 0.0028571 k( 257) = ( 0.5707926 0.4292074 -0.0000000), wk = 0.0028571 k( 258) = ( 0.5653470 0.4346530 0.0000000), wk = 0.0028571 k( 259) = ( 0.5599014 0.4400986 -0.0000000), wk = 0.0028571 k( 260) = ( 0.5544558 0.4455442 -0.0000000), wk = 0.0028571 k( 261) = ( 0.5490102 0.4509898 -0.0000000), wk = 0.0028571 k( 262) = ( 0.5435647 0.4564353 -0.0000000), wk = 0.0028571 k( 263) = ( 0.5381191 0.4618809 -0.0000000), wk = 0.0028571 k( 264) = ( 0.5326735 0.4673265 0.0000000), wk = 0.0028571 k( 265) = ( 0.5272279 0.4727721 -0.0000000), wk = 0.0028571 k( 266) = ( 0.5217823 0.4782177 -0.0000000), wk = 0.0028571 k( 267) = ( 0.5163368 0.4836632 0.0000000), wk = 0.0028571 k( 268) = ( 0.5108912 0.4891088 0.0000000), wk = 0.0028571 k( 269) = ( 0.5054456 0.4945544 0.0000000), wk = 0.0028571 k( 270) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028571 k( 271) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028571 k( 272) = ( 0.5175469 0.5175469 0.0204618), wk = 0.0028571 k( 273) = ( 0.5350938 0.5350937 0.0409236), wk = 0.0028571 k( 274) = ( 0.5526406 0.5526406 0.0613854), wk = 0.0028571 k( 275) = ( 0.5701875 0.5701875 0.0818472), wk = 0.0028571 k( 276) = ( 0.5877344 0.5877344 0.1023090), wk = 0.0028571 k( 277) = ( 0.6052813 0.6052813 0.1227708), wk = 0.0028571 k( 278) = ( 0.6228281 0.6228281 0.1432326), wk = 0.0028571 k( 279) = ( 0.6403750 0.6403750 0.1636944), wk = 0.0028571 k( 280) = ( 0.6579219 0.6579219 0.1841562), wk = 0.0028571 k( 281) = ( 0.6579219 0.6579219 0.1841562), wk = 0.0028571 k( 282) = ( 0.6547635 0.6547635 0.1904731), wk = 0.0028571 k( 283) = ( 0.6516050 0.6516050 0.1967900), wk = 0.0028571 k( 284) = ( 0.6484466 0.6484466 0.2031069), wk = 0.0028571 k( 285) = ( 0.6452881 0.6452881 0.2094237), wk = 0.0028571 k( 286) = ( 0.6421297 0.6421297 0.2157406), wk = 0.0028571 k( 287) = ( 0.6389713 0.6389713 0.2220575), wk = 0.0028571 k( 288) = ( 0.6358128 0.6358128 0.2283743), wk = 0.0028571 k( 289) = ( 0.6326544 0.6326544 0.2346912), wk = 0.0028571 k( 290) = ( 0.6294960 0.6294959 0.2410081), wk = 0.0028571 k( 291) = ( 0.6263375 0.6263375 0.2473250), wk = 0.0028571 k( 292) = ( 0.6231791 0.6231791 0.2536418), wk = 0.0028571 k( 293) = ( 0.6200206 0.6200206 0.2599587), wk = 0.0028571 k( 294) = ( 0.6168622 0.6168622 0.2662756), wk = 0.0028571 k( 295) = ( 0.6137038 0.6137038 0.2725925), wk = 0.0028571 k( 296) = ( 0.6105453 0.6105453 0.2789093), wk = 0.0028571 k( 297) = ( 0.6073869 0.6073869 0.2852262), wk = 0.0028571 k( 298) = ( 0.6042285 0.6042285 0.2915431), wk = 0.0028571 k( 299) = ( 0.6010700 0.6010700 0.2978600), wk = 0.0028571 k( 300) = ( 0.5979116 0.5979116 0.3041769), wk = 0.0028571 k( 301) = ( 0.5947531 0.5947531 0.3104937), wk = 0.0028571 k( 302) = ( 0.5915947 0.5915947 0.3168106), wk = 0.0028571 k( 303) = ( 0.5884363 0.5884363 0.3231275), wk = 0.0028571 k( 304) = ( 0.5852778 0.5852778 0.3294444), wk = 0.0028571 k( 305) = ( 0.5821194 0.5821194 0.3357612), wk = 0.0028571 k( 306) = ( 0.5789609 0.5789609 0.3420781), wk = 0.0028571 k( 307) = ( 0.5758025 0.5758025 0.3483950), wk = 0.0028571 k( 308) = ( 0.5726441 0.5726441 0.3547119), wk = 0.0028571 k( 309) = ( 0.5694856 0.5694856 0.3610287), wk = 0.0028571 k( 310) = ( 0.5663272 0.5663272 0.3673456), wk = 0.0028571 k( 311) = ( 0.5631688 0.5631688 0.3736625), wk = 0.0028571 k( 312) = ( 0.5600103 0.5600103 0.3799794), wk = 0.0028571 k( 313) = ( 0.5568519 0.5568519 0.3862962), wk = 0.0028571 k( 314) = ( 0.5536934 0.5536934 0.3926131), wk = 0.0028571 k( 315) = ( 0.5505350 0.5505350 0.3989300), wk = 0.0028571 k( 316) = ( 0.5473766 0.5473766 0.4052469), wk = 0.0028571 k( 317) = ( 0.5442181 0.5442181 0.4115637), wk = 0.0028571 k( 318) = ( 0.5410597 0.5410597 0.4178806), wk = 0.0028571 k( 319) = ( 0.5379012 0.5379012 0.4241975), wk = 0.0028571 k( 320) = ( 0.5347428 0.5347428 0.4305144), wk = 0.0028571 k( 321) = ( 0.5315844 0.5315844 0.4368312), wk = 0.0028571 k( 322) = ( 0.5284259 0.5284259 0.4431481), wk = 0.0028571 k( 323) = ( 0.5252675 0.5252675 0.4494650), wk = 0.0028571 k( 324) = ( 0.5221091 0.5221091 0.4557819), wk = 0.0028571 k( 325) = ( 0.5189506 0.5189506 0.4620987), wk = 0.0028571 k( 326) = ( 0.5157922 0.5157922 0.4684156), wk = 0.0028571 k( 327) = ( 0.5126337 0.5126337 0.4747325), wk = 0.0028571 k( 328) = ( 0.5094753 0.5094753 0.4810494), wk = 0.0028571 k( 329) = ( 0.5063169 0.5063169 0.4873662), wk = 0.0028571 k( 330) = ( 0.5031584 0.5031584 0.4936831), wk = 0.0028571 k( 331) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 332) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028571 k( 333) = ( 0.5175469 0.0190043 0.0190043), wk = 0.0028571 k( 334) = ( 0.5350938 0.0380087 0.0380087), wk = 0.0028571 k( 335) = ( 0.5526406 0.0570130 0.0570130), wk = 0.0028571 k( 336) = ( 0.5701875 0.0760174 0.0760174), wk = 0.0028571 k( 337) = ( 0.5877344 0.0950217 0.0950217), wk = 0.0028571 k( 338) = ( 0.6052813 0.1140260 0.1140260), wk = 0.0028571 k( 339) = ( 0.6228281 0.1330304 0.1330304), wk = 0.0028571 k( 340) = ( 0.6403750 0.1520347 0.1520347), wk = 0.0028571 k( 341) = ( 0.6579219 0.1710391 0.1710391), wk = 0.0028571 k( 342) = ( 0.6754688 0.1900434 0.1900434), wk = 0.0028571 k( 343) = ( 0.6930156 0.2090477 0.2090477), wk = 0.0028571 k( 344) = ( 0.7105625 0.2280521 0.2280521), wk = 0.0028571 k( 345) = ( 0.7281094 0.2470564 0.2470564), wk = 0.0028571 k( 346) = ( 0.7456563 0.2660607 0.2660608), wk = 0.0028571 k( 347) = ( 0.7632032 0.2850651 0.2850651), wk = 0.0028571 k( 348) = ( 0.7807500 0.3040694 0.3040694), wk = 0.0028571 k( 349) = ( 0.7982969 0.3230738 0.3230738), wk = 0.0028571 k( 350) = ( 0.8158438 0.3420781 0.3420781), wk = 0.0028571 Dense grid: 42481 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 18831 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 146, 40) NL pseudopotentials 0.11 Mb ( 73, 96) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1180) G-vector shells 0.01 Mb ( 990) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 146, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./KYO2.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.5 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.2 secs Computing kpt #: 13 total cpu time spent up to now is 7.6 secs Computing kpt #: 14 total cpu time spent up to now is 7.9 secs Computing kpt #: 15 total cpu time spent up to now is 8.3 secs Computing kpt #: 16 total cpu time spent up to now is 8.6 secs Computing kpt #: 17 total cpu time spent up to now is 9.0 secs Computing kpt #: 18 total cpu time spent up to now is 9.4 secs Computing kpt #: 19 total cpu time spent up to now is 9.7 secs Computing kpt #: 20 total cpu time spent up to now is 10.1 secs Computing kpt #: 21 total cpu time spent up to now is 10.5 secs Computing kpt #: 22 total cpu time spent up to now is 10.8 secs Computing kpt #: 23 total cpu time spent up to now is 11.2 secs Computing kpt #: 24 total cpu time spent up to now is 11.5 secs Computing kpt #: 25 total cpu time spent up to now is 11.9 secs Computing kpt #: 26 total cpu time spent up to now is 12.3 secs Computing kpt #: 27 total cpu time spent up to now is 12.7 secs Computing kpt #: 28 total cpu time spent up to now is 13.0 secs Computing kpt #: 29 total cpu time spent up to now is 13.4 secs Computing kpt #: 30 total cpu time spent up to now is 13.8 secs Computing kpt #: 31 total cpu time spent up to now is 14.2 secs Computing kpt #: 32 total cpu time spent up to now is 14.5 secs Computing kpt #: 33 total cpu time spent up to now is 14.9 secs Computing kpt #: 34 total cpu time spent up to now is 15.3 secs Computing kpt #: 35 total cpu time spent up to now is 15.7 secs Computing kpt #: 36 total cpu time spent up to now is 16.1 secs Computing kpt #: 37 total cpu time spent up to now is 16.5 secs Computing kpt #: 38 total cpu time spent up to now is 16.9 secs Computing kpt #: 39 total cpu time spent up to now is 17.3 secs Computing kpt #: 40 total cpu time spent up to now is 17.7 secs Computing kpt #: 41 total cpu time spent up to now is 18.2 secs Computing kpt #: 42 total cpu time spent up to now is 18.6 secs Computing kpt #: 43 total cpu time spent up to now is 19.0 secs Computing kpt #: 44 total cpu time spent up to now is 19.4 secs Computing kpt #: 45 total cpu time spent up to now is 19.8 secs Computing kpt #: 46 total cpu time spent up to now is 20.3 secs Computing kpt #: 47 total cpu time spent up to now is 20.7 secs Computing kpt #: 48 total cpu time spent up to now is 21.1 secs Computing kpt #: 49 total cpu time spent up to now is 21.5 secs Computing kpt #: 50 total cpu time spent up to now is 22.0 secs Computing kpt #: 51 total cpu time spent up to now is 22.4 secs Computing kpt #: 52 total cpu time spent up to now is 22.8 secs Computing kpt #: 53 total cpu time spent up to now is 23.2 secs Computing kpt #: 54 total cpu time spent up to now is 23.6 secs Computing kpt #: 55 total cpu time spent up to now is 24.1 secs Computing kpt #: 56 total cpu time spent up to now is 24.5 secs Computing kpt #: 57 total cpu time spent up to now is 25.0 secs Computing kpt #: 58 total cpu time spent up to now is 25.5 secs Computing kpt #: 59 total cpu time spent up to now is 25.9 secs Computing kpt #: 60 total cpu time spent up to now is 26.3 secs Computing kpt #: 61 total cpu time spent up to now is 26.7 secs Computing kpt #: 62 total cpu time spent up to now is 27.2 secs Computing kpt #: 63 total cpu time spent up to now is 27.6 secs Computing kpt #: 64 total cpu time spent up to now is 28.0 secs Computing kpt #: 65 total cpu time spent up to now is 28.4 secs Computing kpt #: 66 total cpu time spent up to now is 28.8 secs Computing kpt #: 67 total cpu time spent up to now is 29.2 secs Computing kpt #: 68 total cpu time spent up to now is 29.7 secs Computing kpt #: 69 total cpu time spent up to now is 30.1 secs Computing kpt #: 70 total cpu time spent up to now is 30.5 secs Computing kpt #: 71 total cpu time spent up to now is 30.9 secs Computing kpt #: 72 total cpu time spent up to now is 31.3 secs Computing kpt #: 73 total cpu time spent up to now is 31.7 secs Computing kpt #: 74 total cpu time spent up to now is 32.1 secs Computing kpt #: 75 total cpu time spent up to now is 32.6 secs Computing kpt #: 76 total cpu time spent up to now is 33.0 secs Computing kpt #: 77 total cpu time spent up to now is 33.4 secs Computing kpt #: 78 total cpu time spent up to now is 33.8 secs Computing kpt #: 79 total cpu time spent up to now is 34.2 secs Computing kpt #: 80 total cpu time spent up to now is 34.6 secs Computing kpt #: 81 total cpu time spent up to now is 35.0 secs Computing kpt #: 82 total cpu time spent up to now is 35.4 secs Computing kpt #: 83 total cpu time spent up to now is 36.3 secs Computing kpt #: 84 total cpu time spent up to now is 36.8 secs Computing kpt #: 85 total cpu time spent up to now is 37.2 secs Computing kpt #: 86 total cpu time spent up to now is 37.7 secs Computing kpt #: 87 total cpu time spent up to now is 38.2 secs Computing kpt #: 88 total cpu time spent up to now is 38.6 secs Computing kpt #: 89 total cpu time spent up to now is 39.1 secs Computing kpt #: 90 total cpu time spent up to now is 39.6 secs Computing kpt #: 91 total cpu time spent up to now is 40.0 secs Computing kpt #: 92 total cpu time spent up to now is 40.4 secs Computing kpt #: 93 total cpu time spent up to now is 40.8 secs Computing kpt #: 94 total cpu time spent up to now is 41.2 secs Computing kpt #: 95 total cpu time spent up to now is 41.6 secs Computing kpt #: 96 total cpu time spent up to now is 42.0 secs Computing kpt #: 97 total cpu time spent up to now is 42.4 secs Computing kpt #: 98 total cpu time spent up to now is 42.8 secs Computing kpt #: 99 total cpu time spent up to now is 43.2 secs Computing kpt #: 100 total cpu time spent up to now is 43.6 secs Computing kpt #: 101 total cpu time spent up to now is 44.0 secs Computing kpt #: 102 total cpu time spent up to now is 44.4 secs Computing kpt #: 103 total cpu time spent up to now is 44.8 secs Computing kpt #: 104 total cpu time spent up to now is 45.2 secs Computing kpt #: 105 total cpu time spent up to now is 45.6 secs Computing kpt #: 106 total cpu time spent up to now is 46.0 secs Computing kpt #: 107 total cpu time spent up to now is 46.4 secs Computing kpt #: 108 total cpu time spent up to now is 46.8 secs Computing kpt #: 109 total cpu time spent up to now is 47.2 secs Computing kpt #: 110 total cpu time spent up to now is 47.6 secs Computing kpt #: 111 total cpu time spent up to now is 48.0 secs Computing kpt #: 112 total cpu time spent up to now is 48.4 secs Computing kpt #: 113 total cpu time spent up to now is 48.8 secs Computing kpt #: 114 total cpu time spent up to now is 49.2 secs Computing kpt #: 115 total cpu time spent up to now is 49.6 secs Computing kpt #: 116 total cpu time spent up to now is 50.0 secs Computing kpt #: 117 total cpu time spent up to now is 50.3 secs Computing kpt #: 118 total cpu time spent up to now is 50.7 secs Computing kpt #: 119 total cpu time spent up to now is 51.1 secs Computing kpt #: 120 total cpu time spent up to now is 51.5 secs Computing kpt #: 121 total cpu time spent up to now is 51.9 secs Computing kpt #: 122 total cpu time spent up to now is 52.3 secs Computing kpt #: 123 total cpu time spent up to now is 52.7 secs Computing kpt #: 124 total cpu time spent up to now is 53.1 secs Computing kpt #: 125 total cpu time spent up to now is 53.5 secs Computing kpt #: 126 total cpu time spent up to now is 53.9 secs Computing kpt #: 127 total cpu time spent up to now is 54.2 secs Computing kpt #: 128 total cpu time spent up to now is 54.6 secs Computing kpt #: 129 total cpu time spent up to now is 55.0 secs Computing kpt #: 130 total cpu time spent up to now is 55.5 secs Computing kpt #: 131 total cpu time spent up to now is 55.9 secs Computing kpt #: 132 total cpu time spent up to now is 56.3 secs Computing kpt #: 133 total cpu time spent up to now is 56.7 secs Computing kpt #: 134 total cpu time spent up to now is 57.1 secs Computing kpt #: 135 total cpu time spent up to now is 57.5 secs Computing kpt #: 136 total cpu time spent up to now is 57.9 secs Computing kpt #: 137 total cpu time spent up to now is 58.3 secs Computing kpt #: 138 total cpu time spent up to now is 58.6 secs Computing kpt #: 139 total cpu time spent up to now is 59.0 secs Computing kpt #: 140 total cpu time spent up to now is 59.4 secs Computing kpt #: 141 total cpu time spent up to now is 59.8 secs Computing kpt #: 142 total cpu time spent up to now is 60.2 secs Computing kpt #: 143 total cpu time spent up to now is 60.5 secs Computing kpt #: 144 total cpu time spent up to now is 60.9 secs Computing kpt #: 145 total cpu time spent up to now is 61.3 secs Computing kpt #: 146 total cpu time spent up to now is 61.6 secs Computing kpt #: 147 total cpu time spent up to now is 62.0 secs Computing kpt #: 148 total cpu time spent up to now is 62.3 secs Computing kpt #: 149 total cpu time spent up to now is 62.7 secs Computing kpt #: 150 total cpu time spent up to now is 63.1 secs Computing kpt #: 151 total cpu time spent up to now is 63.4 secs Computing kpt #: 152 total cpu time spent up to now is 63.8 secs Computing kpt #: 153 total cpu time spent up to now is 64.1 secs Computing kpt #: 154 total cpu time spent up to now is 64.5 secs Computing kpt #: 155 total cpu time spent up to now is 64.8 secs Computing kpt #: 156 total cpu time spent up to now is 65.2 secs Computing kpt #: 157 total cpu time spent up to now is 65.6 secs Computing kpt #: 158 total cpu time spent up to now is 65.9 secs Computing kpt #: 159 total cpu time spent up to now is 66.3 secs Computing kpt #: 160 total cpu time spent up to now is 66.7 secs Computing kpt #: 161 total cpu time spent up to now is 67.0 secs Computing kpt #: 162 total cpu time spent up to now is 67.4 secs Computing kpt #: 163 total cpu time spent up to now is 67.7 secs Computing kpt #: 164 total cpu time spent up to now is 68.1 secs Computing kpt #: 165 total cpu time spent up to now is 68.5 secs Computing kpt #: 166 total cpu time spent up to now is 68.8 secs Computing kpt #: 167 total cpu time spent up to now is 69.2 secs Computing kpt #: 168 total cpu time spent up to now is 69.5 secs Computing kpt #: 169 total cpu time spent up to now is 69.9 secs Computing kpt #: 170 total cpu time spent up to now is 70.2 secs Computing kpt #: 171 total cpu time spent up to now is 70.6 secs Computing kpt #: 172 total cpu time spent up to now is 70.9 secs Computing kpt #: 173 total cpu time spent up to now is 71.3 secs Computing kpt #: 174 total cpu time spent up to now is 71.6 secs Computing kpt #: 175 total cpu time spent up to now is 72.0 secs Computing kpt #: 176 total cpu time spent up to now is 72.3 secs Computing kpt #: 177 total cpu time spent up to now is 72.7 secs Computing kpt #: 178 total cpu time spent up to now is 73.0 secs Computing kpt #: 179 total cpu time spent up to now is 73.4 secs Computing kpt #: 180 total cpu time spent up to now is 73.7 secs Computing kpt #: 181 total cpu time spent up to now is 74.1 secs Computing kpt #: 182 total cpu time spent up to now is 74.4 secs Computing kpt #: 183 total cpu time spent up to now is 74.8 secs Computing kpt #: 184 total cpu time spent up to now is 75.2 secs Computing kpt #: 185 total cpu time spent up to now is 75.5 secs Computing kpt #: 186 total cpu time spent up to now is 75.9 secs Computing kpt #: 187 total cpu time spent up to now is 76.2 secs Computing kpt #: 188 total cpu time spent up to now is 76.6 secs Computing kpt #: 189 total cpu time spent up to now is 76.9 secs Computing kpt #: 190 total cpu time spent up to now is 77.3 secs Computing kpt #: 191 total cpu time spent up to now is 77.7 secs Computing kpt #: 192 total cpu time spent up to now is 78.0 secs Computing kpt #: 193 total cpu time spent up to now is 78.4 secs Computing kpt #: 194 total cpu time spent up to now is 78.8 secs Computing kpt #: 195 total cpu time spent up to now is 79.1 secs Computing kpt #: 196 total cpu time spent up to now is 79.5 secs Computing kpt #: 197 total cpu time spent up to now is 79.8 secs Computing kpt #: 198 total cpu time spent up to now is 80.2 secs Computing kpt #: 199 total cpu time spent up to now is 80.6 secs Computing kpt #: 200 total cpu time spent up to now is 80.9 secs Computing kpt #: 201 total cpu time spent up to now is 81.3 secs Computing kpt #: 202 total cpu time spent up to now is 81.7 secs Computing kpt #: 203 total cpu time spent up to now is 82.1 secs Computing kpt #: 204 total cpu time spent up to now is 82.4 secs Computing kpt #: 205 total cpu time spent up to now is 82.8 secs Computing kpt #: 206 total cpu time spent up to now is 83.2 secs Computing kpt #: 207 total cpu time spent up to now is 83.5 secs Computing kpt #: 208 total cpu time spent up to now is 83.9 secs Computing kpt #: 209 total cpu time spent up to now is 84.3 secs Computing kpt #: 210 total cpu time spent up to now is 84.7 secs Computing kpt #: 211 total cpu time spent up to now is 85.1 secs Computing kpt #: 212 total cpu time spent up to now is 85.5 secs Computing kpt #: 213 total cpu time spent up to now is 85.9 secs Computing kpt #: 214 total cpu time spent up to now is 86.3 secs Computing kpt #: 215 total cpu time spent up to now is 86.8 secs Computing kpt #: 216 total cpu time spent up to now is 87.2 secs Computing kpt #: 217 total cpu time spent up to now is 87.7 secs Computing kpt #: 218 total cpu time spent up to now is 88.1 secs Computing kpt #: 219 total cpu time spent up to now is 88.6 secs Computing kpt #: 220 total cpu time spent up to now is 89.1 secs Computing kpt #: 221 total cpu time spent up to now is 89.5 secs Computing kpt #: 222 total cpu time spent up to now is 90.0 secs Computing kpt #: 223 total cpu time spent up to now is 90.4 secs Computing kpt #: 224 total cpu time spent up to now is 90.9 secs Computing kpt #: 225 total cpu time spent up to now is 91.3 secs Computing kpt #: 226 total cpu time spent up to now is 91.7 secs Computing kpt #: 227 total cpu time spent up to now is 92.1 secs Computing kpt #: 228 total cpu time spent up to now is 92.5 secs Computing kpt #: 229 total cpu time spent up to now is 92.9 secs Computing kpt #: 230 total cpu time spent up to now is 93.4 secs Computing kpt #: 231 total cpu time spent up to now is 93.8 secs Computing kpt #: 232 total cpu time spent up to now is 94.2 secs Computing kpt #: 233 total cpu time spent up to now is 94.6 secs Computing kpt #: 234 total cpu time spent up to now is 95.0 secs Computing kpt #: 235 total cpu time spent up to now is 95.4 secs Computing kpt #: 236 total cpu time spent up to now is 95.9 secs Computing kpt #: 237 total cpu time spent up to now is 96.5 secs Computing kpt #: 238 total cpu time spent up to now is 96.9 secs Computing kpt #: 239 total cpu time spent up to now is 97.4 secs Computing kpt #: 240 total cpu time spent up to now is 97.9 secs Computing kpt #: 241 total cpu time spent up to now is 98.3 secs Computing kpt #: 242 total cpu time spent up to now is 98.8 secs Computing kpt #: 243 total cpu time spent up to now is 99.2 secs Computing kpt #: 244 total cpu time spent up to now is 99.6 secs Computing kpt #: 245 total cpu time spent up to now is 100.0 secs Computing kpt #: 246 total cpu time spent up to now is 100.4 secs Computing kpt #: 247 total cpu time spent up to now is 100.8 secs Computing kpt #: 248 total cpu time spent up to now is 101.2 secs Computing kpt #: 249 total cpu time spent up to now is 101.6 secs Computing kpt #: 250 total cpu time spent up to now is 102.0 secs Computing kpt #: 251 total cpu time spent up to now is 102.4 secs Computing kpt #: 252 total cpu time spent up to now is 102.8 secs Computing kpt #: 253 total cpu time spent up to now is 103.2 secs Computing kpt #: 254 total cpu time spent up to now is 103.6 secs Computing kpt #: 255 total cpu time spent up to now is 104.0 secs Computing kpt #: 256 total cpu time spent up to now is 104.4 secs Computing kpt #: 257 total cpu time spent up to now is 104.7 secs Computing kpt #: 258 total cpu time spent up to now is 105.1 secs Computing kpt #: 259 total cpu time spent up to now is 105.5 secs Computing kpt #: 260 total cpu time spent up to now is 105.9 secs Computing kpt #: 261 total cpu time spent up to now is 106.3 secs Computing kpt #: 262 total cpu time spent up to now is 106.6 secs Computing kpt #: 263 total cpu time spent up to now is 107.0 secs Computing kpt #: 264 total cpu time spent up to now is 107.4 secs Computing kpt #: 265 total cpu time spent up to now is 107.8 secs Computing kpt #: 266 total cpu time spent up to now is 108.2 secs Computing kpt #: 267 total cpu time spent up to now is 108.5 secs Computing kpt #: 268 total cpu time spent up to now is 108.9 secs Computing kpt #: 269 total cpu time spent up to now is 109.3 secs Computing kpt #: 270 total cpu time spent up to now is 109.6 secs Computing kpt #: 271 total cpu time spent up to now is 110.0 secs Computing kpt #: 272 total cpu time spent up to now is 110.3 secs Computing kpt #: 273 total cpu time spent up to now is 110.7 secs Computing kpt #: 274 total cpu time spent up to now is 111.1 secs Computing kpt #: 275 total cpu time spent up to now is 111.5 secs Computing kpt #: 276 total cpu time spent up to now is 111.9 secs Computing kpt #: 277 total cpu time spent up to now is 112.3 secs Computing kpt #: 278 total cpu time spent up to now is 112.6 secs Computing kpt #: 279 total cpu time spent up to now is 113.0 secs Computing kpt #: 280 total cpu time spent up to now is 113.4 secs Computing kpt #: 281 total cpu time spent up to now is 113.8 secs Computing kpt #: 282 total cpu time spent up to now is 114.2 secs Computing kpt #: 283 total cpu time spent up to now is 114.6 secs Computing kpt #: 284 total cpu time spent up to now is 114.9 secs Computing kpt #: 285 total cpu time spent up to now is 115.3 secs Computing kpt #: 286 total cpu time spent up to now is 115.7 secs Computing kpt #: 287 total cpu time spent up to now is 116.1 secs Computing kpt #: 288 total cpu time spent up to now is 116.5 secs Computing kpt #: 289 total cpu time spent up to now is 116.9 secs Computing kpt #: 290 total cpu time spent up to now is 117.2 secs Computing kpt #: 291 total cpu time spent up to now is 117.6 secs Computing kpt #: 292 total cpu time spent up to now is 118.0 secs Computing kpt #: 293 total cpu time spent up to now is 118.4 secs Computing kpt #: 294 total cpu time spent up to now is 118.7 secs Computing kpt #: 295 total cpu time spent up to now is 119.1 secs Computing kpt #: 296 total cpu time spent up to now is 119.5 secs Computing kpt #: 297 total cpu time spent up to now is 119.9 secs Computing kpt #: 298 total cpu time spent up to now is 120.2 secs Computing kpt #: 299 total cpu time spent up to now is 120.6 secs Computing kpt #: 300 total cpu time spent up to now is 121.0 secs Computing kpt #: 301 total cpu time spent up to now is 121.3 secs Computing kpt #: 302 total cpu time spent up to now is 121.7 secs Computing kpt #: 303 total cpu time spent up to now is 122.1 secs Computing kpt #: 304 total cpu time spent up to now is 122.4 secs Computing kpt #: 305 total cpu time spent up to now is 122.8 secs Computing kpt #: 306 total cpu time spent up to now is 123.2 secs Computing kpt #: 307 total cpu time spent up to now is 123.6 secs Computing kpt #: 308 total cpu time spent up to now is 123.9 secs Computing kpt #: 309 total cpu time spent up to now is 124.3 secs Computing kpt #: 310 total cpu time spent up to now is 124.7 secs Computing kpt #: 311 total cpu time spent up to now is 125.1 secs Computing kpt #: 312 total cpu time spent up to now is 125.5 secs Computing kpt #: 313 total cpu time spent up to now is 125.9 secs Computing kpt #: 314 total cpu time spent up to now is 126.3 secs Computing kpt #: 315 total cpu time spent up to now is 126.7 secs Computing kpt #: 316 total cpu time spent up to now is 127.1 secs Computing kpt #: 317 total cpu time spent up to now is 127.5 secs Computing kpt #: 318 total cpu time spent up to now is 127.9 secs Computing kpt #: 319 total cpu time spent up to now is 128.2 secs Computing kpt #: 320 total cpu time spent up to now is 128.6 secs Computing kpt #: 321 total cpu time spent up to now is 129.0 secs Computing kpt #: 322 total cpu time spent up to now is 129.4 secs Computing kpt #: 323 total cpu time spent up to now is 129.8 secs Computing kpt #: 324 total cpu time spent up to now is 130.1 secs Computing kpt #: 325 total cpu time spent up to now is 130.5 secs Computing kpt #: 326 total cpu time spent up to now is 130.9 secs Computing kpt #: 327 total cpu time spent up to now is 131.2 secs Computing kpt #: 328 total cpu time spent up to now is 131.6 secs Computing kpt #: 329 total cpu time spent up to now is 132.0 secs Computing kpt #: 330 total cpu time spent up to now is 132.3 secs Computing kpt #: 331 total cpu time spent up to now is 132.7 secs Computing kpt #: 332 total cpu time spent up to now is 133.1 secs Computing kpt #: 333 total cpu time spent up to now is 133.6 secs Computing kpt #: 334 total cpu time spent up to now is 134.0 secs Computing kpt #: 335 total cpu time spent up to now is 134.4 secs Computing kpt #: 336 total cpu time spent up to now is 134.8 secs Computing kpt #: 337 total cpu time spent up to now is 135.2 secs Computing kpt #: 338 total cpu time spent up to now is 135.5 secs Computing kpt #: 339 total cpu time spent up to now is 135.9 secs Computing kpt #: 340 total cpu time spent up to now is 136.3 secs Computing kpt #: 341 total cpu time spent up to now is 136.7 secs Computing kpt #: 342 total cpu time spent up to now is 137.1 secs Computing kpt #: 343 total cpu time spent up to now is 137.5 secs Computing kpt #: 344 total cpu time spent up to now is 138.0 secs Computing kpt #: 345 total cpu time spent up to now is 138.4 secs Computing kpt #: 346 total cpu time spent up to now is 138.8 secs Computing kpt #: 347 total cpu time spent up to now is 139.2 secs Computing kpt #: 348 total cpu time spent up to now is 139.6 secs Computing kpt #: 349 total cpu time spent up to now is 140.0 secs Computing kpt #: 350 total cpu time spent up to now is 140.4 secs ethr = 3.13E-08, avg # of iterations = 17.0 total cpu time spent up to now is 140.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2335 PWs) bands (ev): -33.0123 -33.0123 -20.1394 -20.1394 -13.9427 -13.9427 -12.6395 -12.6395 -12.2466 -12.2466 -8.1052 -8.1052 -7.5783 -7.5783 -3.4837 -3.4837 -3.2353 -3.2353 -3.1949 -3.1949 4.8583 4.8583 5.9560 5.9560 5.9664 5.9664 7.1404 7.1404 7.2414 7.2414 7.2716 7.2716 11.8282 11.8282 12.6133 12.6133 12.7032 12.7032 12.7456 12.7456 k = 0.0093-0.0154-0.0094 ( 2333 PWs) bands (ev): -33.0122 -33.0122 -20.1393 -20.1393 -13.9427 -13.9427 -12.6396 -12.6396 -12.2472 -12.2472 -8.1046 -8.1046 -7.5786 -7.5786 -3.4840 -3.4840 -3.2356 -3.2356 -3.1953 -3.1953 4.8597 4.8597 5.9563 5.9563 5.9666 5.9666 7.1399 7.1399 7.2395 7.2395 7.2698 7.2698 11.8320 11.8320 12.6139 12.6139 12.7029 12.7029 12.7455 12.7455 k = 0.0185-0.0309-0.0187 ( 2338 PWs) bands (ev): -33.0120 -33.0120 -20.1390 -20.1390 -13.9429 -13.9429 -12.6400 -12.6400 -12.2488 -12.2488 -8.1028 -8.1028 -7.5793 -7.5793 -3.4850 -3.4850 -3.2366 -3.2366 -3.1965 -3.1965 4.8640 4.8640 5.9569 5.9569 5.9673 5.9673 7.1383 7.1383 7.2335 7.2335 7.2648 7.2648 11.8431 11.8431 12.6154 12.6154 12.7014 12.7014 12.7462 12.7462 k = 0.0278-0.0463-0.0281 ( 2336 PWs) bands (ev): -33.0117 -33.0117 -20.1384 -20.1384 -13.9432 -13.9432 -12.6407 -12.6407 -12.2516 -12.2516 -8.0997 -8.0997 -7.5804 -7.5804 -3.4866 -3.4866 -3.2381 -3.2381 -3.1985 -3.1985 4.8710 4.8710 5.9579 5.9579 5.9686 5.9686 7.1354 7.1354 7.2221 7.2221 7.2582 7.2582 11.8616 11.8616 12.6174 12.6174 12.6974 12.6974 12.7496 12.7496 k = 0.0370-0.0617-0.0375 ( 2338 PWs) bands (ev): -33.0113 -33.0113 -20.1376 -20.1376 -13.9437 -13.9437 -12.6416 -12.6416 -12.2554 -12.2554 -8.0955 -8.0955 -7.5820 -7.5820 -3.4889 -3.4889 -3.2403 -3.2403 -3.2012 -3.2012 4.8807 4.8807 5.9589 5.9589 5.9707 5.9707 7.1308 7.1308 7.2050 7.2050 7.2512 7.2512 11.8871 11.8871 12.6179 12.6179 12.6911 12.6911 12.7573 12.7573 k = 0.0463-0.0772-0.0468 ( 2340 PWs) bands (ev): -33.0107 -33.0107 -20.1367 -20.1367 -13.9443 -13.9443 -12.6427 -12.6427 -12.2603 -12.2603 -8.0902 -8.0902 -7.5841 -7.5841 -3.4917 -3.4917 -3.2432 -3.2432 -3.2046 -3.2046 4.8931 4.8931 5.9599 5.9599 5.9736 5.9736 7.1232 7.1232 7.1838 7.1838 7.2439 7.2439 11.9193 11.9193 12.6140 12.6140 12.6860 12.6860 12.7694 12.7694 k = 0.0556-0.0926-0.0562 ( 2345 PWs) bands (ev): -33.0100 -33.0100 -20.1355 -20.1355 -13.9450 -13.9450 -12.6442 -12.6442 -12.2661 -12.2661 -8.0837 -8.0837 -7.5867 -7.5867 -3.4953 -3.4953 -3.2469 -3.2469 -3.2085 -3.2085 4.9080 4.9080 5.9606 5.9606 5.9775 5.9775 7.1091 7.1091 7.1625 7.1625 7.2361 7.2361 11.9578 11.9578 12.6018 12.6018 12.6863 12.6863 12.7854 12.7854 k = 0.0648-0.1080-0.0656 ( 2346 PWs) bands (ev): -33.0092 -33.0092 -20.1341 -20.1341 -13.9460 -13.9460 -12.6458 -12.6458 -12.2728 -12.2728 -8.0761 -8.0761 -7.5897 -7.5897 -3.4994 -3.4994 -3.2513 -3.2513 -3.2129 -3.2129 4.9254 4.9254 5.9611 5.9611 5.9822 5.9822 7.0840 7.0840 7.1465 7.1465 7.2276 7.2276 12.0021 12.0021 12.5809 12.5809 12.6932 12.6932 12.8049 12.8049 k = 0.0741-0.1235-0.0749 ( 2344 PWs) bands (ev): -33.0083 -33.0083 -20.1325 -20.1325 -13.9470 -13.9470 -12.6478 -12.6478 -12.2804 -12.2804 -8.0675 -8.0675 -7.5932 -7.5932 -3.5042 -3.5042 -3.2566 -3.2566 -3.2175 -3.2175 4.9450 4.9450 5.9614 5.9614 5.9878 5.9878 7.0484 7.0484 7.1360 7.1360 7.2182 7.2182 12.0515 12.0515 12.5536 12.5536 12.7051 12.7051 12.8277 12.8277 k = 0.0833-0.1389-0.0843 ( 2335 PWs) bands (ev): -33.0072 -33.0072 -20.1307 -20.1307 -13.9483 -13.9483 -12.6501 -12.6501 -12.2886 -12.2886 -8.0578 -8.0578 -7.5972 -7.5972 -3.5097 -3.5097 -3.2627 -3.2627 -3.2223 -3.2223 4.9668 4.9668 5.9613 5.9613 5.9942 5.9942 7.0060 7.0060 7.1280 7.1280 7.2080 7.2080 12.1057 12.1057 12.5217 12.5217 12.7207 12.7207 12.8536 12.8536 k = 0.0926-0.1544-0.0937 ( 2341 PWs) bands (ev): -33.0061 -33.0061 -20.1287 -20.1287 -13.9498 -13.9498 -12.6526 -12.6526 -12.2976 -12.2976 -8.0473 -8.0473 -7.6016 -7.6016 -3.5158 -3.5158 -3.2696 -3.2696 -3.2274 -3.2274 4.9906 4.9906 5.9609 5.9609 6.0012 6.0012 6.9591 6.9591 7.1210 7.1210 7.1970 7.1970 12.1637 12.1637 12.4863 12.4863 12.7391 12.7391 12.8825 12.8825 k = 0.1019-0.1698-0.1030 ( 2340 PWs) bands (ev): -33.0048 -33.0048 -20.1266 -20.1266 -13.9514 -13.9514 -12.6555 -12.6555 -12.3071 -12.3071 -8.0359 -8.0359 -7.6065 -7.6065 -3.5225 -3.5225 -3.2773 -3.2773 -3.2325 -3.2325 5.0161 5.0161 5.9601 5.9601 6.0088 6.0088 6.9090 6.9090 7.1141 7.1141 7.1853 7.1853 12.2248 12.2248 12.4486 12.4486 12.7602 12.7602 12.9142 12.9142 k = 0.1111-0.1852-0.1124 ( 2335 PWs) bands (ev): -33.0035 -33.0035 -20.1242 -20.1242 -13.9534 -13.9534 -12.6587 -12.6587 -12.3170 -12.3170 -8.0237 -8.0237 -7.6119 -7.6119 -3.5298 -3.5298 -3.2858 -3.2858 -3.2376 -3.2376 5.0431 5.0431 5.9588 5.9588 6.0170 6.0170 6.8565 6.8565 7.1073 7.1073 7.1730 7.1730 12.2872 12.2872 12.4103 12.4103 12.7838 12.7838 12.9488 12.9488 k = 0.1204-0.2007-0.1218 ( 2335 PWs) bands (ev): -33.0020 -33.0020 -20.1217 -20.1217 -13.9555 -13.9555 -12.6622 -12.6622 -12.3274 -12.3274 -8.0108 -8.0108 -7.6177 -7.6177 -3.5378 -3.5378 -3.2949 -3.2949 -3.2428 -3.2428 5.0714 5.0714 5.9569 5.9569 6.0257 6.0257 6.8025 6.8025 7.1003 7.1003 7.1601 7.1601 12.3358 12.3358 12.3862 12.3862 12.8101 12.8101 12.9860 12.9860 k = 0.1296-0.2161-0.1311 ( 2336 PWs) bands (ev): -33.0005 -33.0005 -20.1190 -20.1190 -13.9580 -13.9580 -12.6661 -12.6661 -12.3379 -12.3379 -7.9973 -7.9973 -7.6239 -7.6239 -3.5464 -3.5464 -3.3045 -3.3045 -3.2481 -3.2481 5.1009 5.1009 5.9543 5.9543 6.0348 6.0348 6.7477 6.7477 7.0930 7.0930 7.1468 7.1468 12.3128 12.3128 12.4336 12.4336 12.8391 12.8391 13.0257 13.0257 k = 0.1389-0.2315-0.1405 ( 2333 PWs) bands (ev): -32.9988 -32.9988 -20.1162 -20.1162 -13.9607 -13.9607 -12.6703 -12.6703 -12.3485 -12.3485 -7.9834 -7.9834 -7.6304 -7.6304 -3.5557 -3.5557 -3.3145 -3.3145 -3.2535 -3.2535 5.1311 5.1311 5.9509 5.9509 6.0442 6.0442 6.6927 6.6927 7.0853 7.0853 7.1333 7.1333 12.2705 12.2705 12.5000 12.5000 12.8711 12.8711 13.0680 13.0680 k = 0.1481-0.2470-0.1499 ( 2336 PWs) bands (ev): -32.9971 -32.9971 -20.1132 -20.1132 -13.9637 -13.9637 -12.6749 -12.6749 -12.3592 -12.3592 -7.9691 -7.9691 -7.6372 -7.6372 -3.5655 -3.5655 -3.3248 -3.3248 -3.2590 -3.2590 5.1618 5.1618 5.9466 5.9466 6.0540 6.0540 6.6381 6.6381 7.0771 7.0771 7.1197 7.1197 12.2257 12.2257 12.5679 12.5679 12.9066 12.9066 13.1126 13.1126 k = 0.1574-0.2624-0.1592 ( 2341 PWs) bands (ev): -32.9953 -32.9953 -20.1101 -20.1101 -13.9670 -13.9670 -12.6799 -12.6799 -12.3697 -12.3697 -7.9545 -7.9545 -7.6441 -7.6441 -3.5760 -3.5760 -3.3353 -3.3353 -3.2645 -3.2645 5.1928 5.1928 5.9411 5.9411 6.0639 6.0639 6.5848 6.5848 7.0683 7.0683 7.1064 7.1064 12.1800 12.1800 12.6350 12.6350 12.9461 12.9461 13.1594 13.1594 k = 0.1667-0.2778-0.1686 ( 2339 PWs) bands (ev): -32.9934 -32.9934 -20.1068 -20.1068 -13.9707 -13.9707 -12.6853 -12.6853 -12.3800 -12.3800 -7.9400 -7.9400 -7.6510 -7.6510 -3.5871 -3.5871 -3.3460 -3.3460 -3.2701 -3.2701 5.2237 5.2237 5.9342 5.9342 6.0740 6.0740 6.5333 6.5333 7.0586 7.0586 7.0936 7.0936 12.1339 12.1339 12.7001 12.7001 12.9901 12.9901 13.2085 13.2085 k = 0.1759-0.2933-0.1780 ( 2339 PWs) bands (ev): -32.9915 -32.9915 -20.1035 -20.1035 -13.9746 -13.9746 -12.6911 -12.6911 -12.3900 -12.3900 -7.9257 -7.9257 -7.6577 -7.6577 -3.5987 -3.5987 -3.3567 -3.3567 -3.2758 -3.2758 5.2542 5.2542 5.9257 5.9257 6.0841 6.0841 6.4845 6.4845 7.0478 7.0478 7.0816 7.0816 12.0876 12.0876 12.7622 12.7622 13.0393 13.0393 13.2596 13.2596 k = 0.1852-0.3087-0.1874 ( 2338 PWs) bands (ev): -32.9895 -32.9895 -20.1000 -20.1000 -13.9790 -13.9790 -12.6973 -12.6973 -12.3995 -12.3995 -7.9120 -7.9120 -7.6640 -7.6640 -3.6109 -3.6109 -3.3674 -3.3674 -3.2816 -3.2816 5.2840 5.2840 5.9152 5.9152 6.0943 6.0943 6.4390 6.4390 7.0359 7.0359 7.0704 7.0704 12.0415 12.0415 12.8207 12.8207 13.0938 13.0938 13.3127 13.3127 k = 0.1944-0.3241-0.1967 ( 2340 PWs) bands (ev): -32.9874 -32.9874 -20.0965 -20.0965 -13.9836 -13.9836 -12.7039 -12.7039 -12.4086 -12.4086 -7.8993 -7.8993 -7.6694 -7.6694 -3.6237 -3.6237 -3.3780 -3.3780 -3.2875 -3.2875 5.3128 5.3128 5.9025 5.9025 6.1043 6.1043 6.3978 6.3978 7.0230 7.0230 7.0598 7.0598 11.9957 11.9957 12.8756 12.8756 13.1532 13.1532 13.3676 13.3676 k = 0.2037-0.3396-0.2061 ( 2346 PWs) bands (ev): -32.9853 -32.9853 -20.0929 -20.0929 -13.9887 -13.9887 -12.7109 -12.7109 -12.4171 -12.4171 -7.8880 -7.8880 -7.6735 -7.6735 -3.6369 -3.6369 -3.3885 -3.3885 -3.2934 -3.2934 5.3402 5.3402 5.8872 5.8872 6.1142 6.1142 6.3614 6.3614 7.0095 7.0095 7.0497 7.0497 11.9503 11.9503 12.9274 12.9274 13.2170 13.2170 13.4243 13.4243 k = 0.2130-0.3550-0.2155 ( 2344 PWs) bands (ev): -32.9832 -32.9832 -20.0891 -20.0891 -13.9940 -13.9940 -12.7183 -12.7183 -12.4250 -12.4250 -7.8788 -7.8788 -7.6758 -7.6758 -3.6506 -3.6506 -3.3988 -3.3988 -3.2994 -3.2994 5.3659 5.3659 5.8694 5.8694 6.1239 6.1239 6.3304 6.3304 6.9958 6.9958 7.0397 7.0397 11.9056 11.9056 12.9766 12.9766 13.2841 13.2841 13.4826 13.4826 k = 0.2222-0.3705-0.2248 ( 2342 PWs) bands (ev): -32.9810 -32.9810 -20.0854 -20.0854 -13.9997 -13.9997 -12.7260 -12.7260 -12.4322 -12.4322 -7.8723 -7.8723 -7.6756 -7.6756 -3.6647 -3.6647 -3.4090 -3.4090 -3.3053 -3.3053 5.3897 5.3897 5.8489 5.8489 6.1332 6.1332 6.3053 6.3053 6.9819 6.9819 7.0294 7.0294 11.8615 11.8615 13.0242 13.0242 13.3535 13.3535 13.5424 13.5424 k = 0.2315-0.3859-0.2342 ( 2338 PWs) bands (ev): -32.9789 -32.9789 -20.0816 -20.0816 -14.0058 -14.0058 -12.7339 -12.7339 -12.4387 -12.4387 -7.8688 -7.8688 -7.6725 -7.6725 -3.6792 -3.6792 -3.4189 -3.4189 -3.3113 -3.3113 5.4112 5.4112 5.8262 5.8262 6.1422 6.1422 6.2860 6.2860 6.9682 6.9682 7.0189 7.0189 11.8183 11.8183 13.0707 13.0707 13.4244 13.4244 13.6036 13.6036 k = 0.2407-0.4013-0.2436 ( 2335 PWs) bands (ev): -32.9767 -32.9767 -20.0777 -20.0777 -14.0121 -14.0121 -12.7421 -12.7421 -12.4446 -12.4446 -7.8687 -7.8687 -7.6663 -7.6663 -3.6940 -3.6940 -3.4286 -3.4286 -3.3173 -3.3173 5.4300 5.4300 5.8020 5.8020 6.1507 6.1507 6.2725 6.2725 6.9547 6.9547 7.0077 7.0077 11.7759 11.7759 13.1168 13.1168 13.4961 13.4961 13.6661 13.6661 k = 0.2500-0.4168-0.2529 ( 2337 PWs) bands (ev): -32.9744 -32.9744 -20.0739 -20.0739 -14.0188 -14.0188 -12.7505 -12.7505 -12.4497 -12.4497 -7.8718 -7.8718 -7.6571 -7.6571 -3.7092 -3.7092 -3.4380 -3.4380 -3.3233 -3.3233 5.4459 5.4459 5.7770 5.7770 6.1587 6.1587 6.2641 6.2641 6.9416 6.9416 6.9959 6.9959 11.7346 11.7346 13.1626 13.1626 13.5681 13.5681 13.7296 13.7296 k = 0.2593-0.4322-0.2623 ( 2335 PWs) bands (ev): -32.9722 -32.9722 -20.0700 -20.0700 -14.0257 -14.0257 -12.7590 -12.7590 -12.4542 -12.4542 -7.8776 -7.8776 -7.6454 -7.6454 -3.7245 -3.7245 -3.4472 -3.4472 -3.3293 -3.3293 5.4585 5.4585 5.7523 5.7523 6.1661 6.1661 6.2603 6.2603 6.9290 6.9290 6.9834 6.9834 11.6943 11.6943 13.2086 13.2086 13.6400 13.6400 13.7942 13.7942 k = 0.2685-0.4476-0.2717 ( 2341 PWs) bands (ev): -32.9700 -32.9700 -20.0662 -20.0662 -14.0329 -14.0329 -12.7676 -12.7676 -12.4580 -12.4580 -7.8858 -7.8858 -7.6317 -7.6317 -3.7401 -3.7401 -3.4562 -3.4562 -3.3352 -3.3352 5.4672 5.4672 5.7292 5.7292 6.1730 6.1730 6.2605 6.2605 6.9168 6.9168 6.9699 6.9699 11.6551 11.6551 13.2547 13.2547 13.7115 13.7115 13.8595 13.8595 k = 0.2778-0.4631-0.2810 ( 2341 PWs) bands (ev): -32.9678 -32.9678 -20.0624 -20.0624 -14.0403 -14.0403 -12.7762 -12.7762 -12.4613 -12.4613 -7.8957 -7.8957 -7.6164 -7.6164 -3.7558 -3.7558 -3.4649 -3.4649 -3.3411 -3.3411 5.4718 5.4718 5.7088 5.7088 6.1792 6.1792 6.2639 6.2639 6.9051 6.9051 6.9556 6.9556 11.6171 11.6171 13.3011 13.3011 13.7826 13.7826 13.9255 13.9255 k = 0.2870-0.4785-0.2904 ( 2345 PWs) bands (ev): -32.9657 -32.9657 -20.0586 -20.0586 -14.0478 -14.0478 -12.7847 -12.7847 -12.4639 -12.4639 -7.9070 -7.9070 -7.5999 -7.5999 -3.7715 -3.7715 -3.4733 -3.4733 -3.3469 -3.3469 5.4717 5.4717 5.6922 5.6922 6.1847 6.1847 6.2701 6.2701 6.8937 6.8937 6.9405 6.9405 11.5803 11.5803 13.3478 13.3478 13.8531 13.8531 13.9919 13.9919 k = 0.2963-0.4939-0.2998 ( 2344 PWs) bands (ev): -32.9635 -32.9635 -20.0549 -20.0549 -14.0556 -14.0556 -12.7931 -12.7931 -12.4660 -12.4660 -7.9193 -7.9193 -7.5827 -7.5827 -3.7873 -3.7873 -3.4814 -3.4814 -3.3526 -3.3526 5.4668 5.4668 5.6802 5.6802 6.1895 6.1895 6.2783 6.2783 6.8823 6.8823 6.9249 6.9249 11.5448 11.5448 13.3947 13.3947 13.9230 13.9230 14.0586 14.0586 k = 0.3056-0.5094-0.3091 ( 2343 PWs) bands (ev): -32.9614 -32.9614 -20.0512 -20.0512 -14.0634 -14.0634 -12.8014 -12.8014 -12.4676 -12.4676 -7.9323 -7.9323 -7.5649 -7.5649 -3.8031 -3.8031 -3.4893 -3.4893 -3.3582 -3.3582 5.4574 5.4574 5.6729 5.6729 6.1937 6.1937 6.2880 6.2880 6.8705 6.8705 6.9093 6.9093 11.5106 11.5106 13.4418 13.4418 13.9922 13.9922 14.1253 14.1253 k = 0.3148-0.5248-0.3185 ( 2343 PWs) bands (ev): -32.9593 -32.9593 -20.0476 -20.0476 -14.0713 -14.0713 -12.8094 -12.8094 -12.4688 -12.4688 -7.9458 -7.9458 -7.5469 -7.5469 -3.8187 -3.8187 -3.4969 -3.4969 -3.3637 -3.3637 5.4445 5.4445 5.6701 5.6701 6.1972 6.1972 6.2989 6.2989 6.8571 6.8571 6.8946 6.8946 11.4778 11.4778 13.4888 13.4888 14.0606 14.0606 14.1918 14.1918 k = 0.3241-0.5402-0.3279 ( 2343 PWs) bands (ev): -32.9573 -32.9573 -20.0440 -20.0440 -14.0792 -14.0792 -12.8173 -12.8173 -12.4696 -12.4696 -7.9595 -7.9595 -7.5288 -7.5288 -3.8342 -3.8342 -3.5042 -3.5042 -3.3691 -3.3691 5.4292 5.4292 5.6711 5.6711 6.2000 6.2000 6.3103 6.3103 6.8412 6.8412 6.8820 6.8820 11.4464 11.4464 13.5358 13.5358 14.1277 14.1277 14.2578 14.2578 k = 0.3333-0.5557-0.3372 ( 2341 PWs) bands (ev): -32.9554 -32.9554 -20.0406 -20.0406 -14.0871 -14.0871 -12.8248 -12.8248 -12.4700 -12.4700 -7.9734 -7.9734 -7.5108 -7.5108 -3.8495 -3.8495 -3.5113 -3.5113 -3.3743 -3.3743 5.4124 5.4124 5.6751 5.6751 6.2022 6.2022 6.3220 6.3220 6.8222 6.8222 6.8719 6.8719 11.4165 11.4165 13.5824 13.5824 14.1930 14.1930 14.3230 14.3230 k = 0.3426-0.5711-0.3466 ( 2341 PWs) bands (ev): -32.9535 -32.9535 -20.0373 -20.0373 -14.0949 -14.0949 -12.8320 -12.8320 -12.4701 -12.4701 -7.9872 -7.9872 -7.4930 -7.4930 -3.8644 -3.8644 -3.5180 -3.5180 -3.3793 -3.3793 5.3951 5.3951 5.6817 5.6817 6.2038 6.2038 6.3335 6.3335 6.8007 6.8007 6.8640 6.8640 11.3880 11.3880 13.6285 13.6285 14.2547 14.2547 14.3870 14.3870 k = 0.3519-0.5865-0.3560 ( 2342 PWs) bands (ev): -32.9517 -32.9517 -20.0341 -20.0341 -14.1026 -14.1026 -12.8390 -12.8390 -12.4699 -12.4699 -8.0009 -8.0009 -7.4755 -7.4755 -3.8791 -3.8791 -3.5244 -3.5244 -3.3842 -3.3842 5.3778 5.3778 5.6906 5.6906 6.2048 6.2048 6.3445 6.3445 6.7772 6.7772 6.8577 6.8577 11.3610 11.3610 13.6739 13.6739 14.3095 14.3095 14.4488 14.4488 k = 0.3611-0.6020-0.3653 ( 2344 PWs) bands (ev): -32.9499 -32.9499 -20.0310 -20.0310 -14.1101 -14.1101 -12.8455 -12.8455 -12.4695 -12.4695 -8.0142 -8.0142 -7.4585 -7.4585 -3.8933 -3.8933 -3.5306 -3.5306 -3.3889 -3.3889 5.3610 5.3610 5.7015 5.7015 6.2054 6.2054 6.3546 6.3546 6.7524 6.7524 6.8526 6.8526 11.3355 11.3355 13.7183 13.7183 14.3504 14.3504 14.5062 14.5062 k = 0.3704-0.6174-0.3747 ( 2342 PWs) bands (ev): -32.9482 -32.9482 -20.0281 -20.0281 -14.1173 -14.1173 -12.8517 -12.8517 -12.4689 -12.4689 -8.0272 -8.0272 -7.4420 -7.4420 -3.9070 -3.9070 -3.5364 -3.5364 -3.3933 -3.3933 5.3449 5.3449 5.7143 5.7143 6.2055 6.2055 6.3635 6.3635 6.7268 6.7268 6.8484 6.8484 11.3115 11.3115 13.7617 13.7617 14.3695 14.3695 14.5568 14.5568 k = 0.3796-0.6329-0.3841 ( 2342 PWs) bands (ev): -32.9467 -32.9467 -20.0253 -20.0253 -14.1244 -14.1244 -12.8575 -12.8575 -12.4681 -12.4681 -8.0397 -8.0397 -7.4262 -7.4262 -3.9202 -3.9202 -3.5419 -3.5419 -3.3975 -3.3975 5.3297 5.3297 5.7290 5.7290 6.2052 6.2052 6.3706 6.3706 6.7009 6.7009 6.8450 6.8450 11.2892 11.2892 13.8036 13.8036 14.3689 14.3689 14.6070 14.6070 k = 0.3889-0.6483-0.3934 ( 2348 PWs) bands (ev): -32.9452 -32.9452 -20.0227 -20.0227 -14.1311 -14.1311 -12.8629 -12.8629 -12.4673 -12.4673 -8.0517 -8.0517 -7.4112 -7.4112 -3.9328 -3.9328 -3.5470 -3.5470 -3.4015 -3.4015 5.3155 5.3155 5.7455 5.7455 6.2045 6.2045 6.3754 6.3754 6.6753 6.6753 6.8423 6.8423 11.2684 11.2684 13.8439 13.8439 14.3574 14.3574 14.6603 14.6603 k = 0.3981-0.6637-0.4028 ( 2348 PWs) bands (ev): -32.9438 -32.9438 -20.0203 -20.0203 -14.1374 -14.1374 -12.8678 -12.8678 -12.4664 -12.4664 -8.0629 -8.0629 -7.3970 -7.3970 -3.9447 -3.9447 -3.5518 -3.5518 -3.4053 -3.4053 5.3024 5.3024 5.7637 5.7637 6.2037 6.2037 6.3774 6.3774 6.6507 6.6507 6.8401 6.8401 11.2492 11.2492 13.8823 13.8823 14.3413 14.3413 14.7136 14.7136 k = 0.4074-0.6792-0.4122 ( 2348 PWs) bands (ev): -32.9425 -32.9425 -20.0180 -20.0180 -14.1433 -14.1433 -12.8724 -12.8724 -12.4654 -12.4654 -8.0735 -8.0735 -7.3837 -7.3837 -3.9558 -3.9558 -3.5562 -3.5562 -3.4087 -3.4087 5.2904 5.2904 5.7837 5.7837 6.2027 6.2027 6.3757 6.3757 6.6281 6.6281 6.8383 6.8383 11.2316 11.2316 13.9186 13.9186 14.3237 14.3237 14.7643 14.7643 k = 0.4167-0.6946-0.4215 ( 2350 PWs) bands (ev): -32.9413 -32.9413 -20.0160 -20.0160 -14.1488 -14.1488 -12.8765 -12.8765 -12.4645 -12.4645 -8.0833 -8.0833 -7.3714 -7.3714 -3.9661 -3.9661 -3.5602 -3.5602 -3.4119 -3.4119 5.2796 5.2796 5.8052 5.8052 6.2015 6.2015 6.3696 6.3696 6.6084 6.6084 6.8369 6.8369 11.2156 11.2156 13.9525 13.9525 14.3062 14.3062 14.8113 14.8113 k = 0.4259-0.7100-0.4309 ( 2355 PWs) bands (ev): -32.9403 -32.9403 -20.0141 -20.0141 -14.1538 -14.1538 -12.8803 -12.8803 -12.4635 -12.4635 -8.0922 -8.0922 -7.3602 -7.3602 -3.9755 -3.9755 -3.5639 -3.5639 -3.4147 -3.4147 5.2698 5.2698 5.8281 5.8281 6.2003 6.2003 6.3588 6.3588 6.5922 6.5922 6.8358 6.8358 11.2014 11.2014 13.9838 13.9838 14.2893 14.2893 14.8538 14.8538 k = 0.4352-0.7255-0.4403 ( 2357 PWs) bands (ev): -32.9393 -32.9393 -20.0125 -20.0125 -14.1584 -14.1584 -12.8835 -12.8835 -12.4626 -12.4626 -8.1002 -8.1002 -7.3501 -7.3501 -3.9840 -3.9840 -3.5671 -3.5671 -3.4173 -3.4173 5.2613 5.2613 5.8522 5.8522 6.1991 6.1991 6.3431 6.3431 6.5798 6.5798 6.8350 6.8350 11.1887 11.1887 14.0123 14.0123 14.2737 14.2737 14.8919 14.8919 k = 0.4444-0.7409-0.4496 ( 2357 PWs) bands (ev): -32.9385 -32.9385 -20.0110 -20.0110 -14.1623 -14.1623 -12.8864 -12.8864 -12.4618 -12.4618 -8.1072 -8.1072 -7.3412 -7.3412 -3.9914 -3.9914 -3.5700 -3.5700 -3.4195 -3.4195 5.2539 5.2539 5.8772 5.8772 6.1980 6.1980 6.3233 6.3233 6.5711 6.5711 6.8344 6.8344 11.1777 11.1777 14.0377 14.0377 14.2595 14.2595 14.9253 14.9253 k = 0.4537-0.7563-0.4590 ( 2355 PWs) bands (ev): -32.9378 -32.9378 -20.0098 -20.0098 -14.1657 -14.1657 -12.8888 -12.8888 -12.4610 -12.4610 -8.1132 -8.1132 -7.3336 -7.3336 -3.9978 -3.9978 -3.5724 -3.5724 -3.4214 -3.4214 5.2477 5.2477 5.9026 5.9026 6.1969 6.1969 6.3006 6.3006 6.5652 6.5652 6.8340 6.8340 11.1684 11.1684 14.0599 14.0599 14.2470 14.2470 14.9538 14.9538 k = 0.4630-0.7718-0.4684 ( 2355 PWs) bands (ev): -32.9372 -32.9372 -20.0088 -20.0088 -14.1685 -14.1685 -12.8908 -12.8908 -12.4604 -12.4604 -8.1182 -8.1182 -7.3273 -7.3273 -4.0031 -4.0031 -3.5744 -3.5744 -3.4230 -3.4230 5.2426 5.2426 5.9277 5.9277 6.1959 6.1959 6.2766 6.2766 6.5616 6.5616 6.8337 6.8337 11.1608 11.1608 14.0787 14.0787 14.2363 14.2363 14.9774 14.9774 k = 0.4722-0.7872-0.4777 ( 2355 PWs) bands (ev): -32.9368 -32.9368 -20.0080 -20.0080 -14.1707 -14.1707 -12.8923 -12.8923 -12.4599 -12.4599 -8.1221 -8.1221 -7.3224 -7.3224 -4.0073 -4.0073 -3.5759 -3.5759 -3.4242 -3.4242 5.2386 5.2386 5.9513 5.9513 6.1951 6.1951 6.2532 6.2532 6.5594 6.5594 6.8335 6.8335 11.1549 11.1549 14.0938 14.0938 14.2276 14.2276 14.9958 14.9958 k = 0.4815-0.8026-0.4871 ( 2359 PWs) bands (ev): -32.9365 -32.9365 -20.0074 -20.0074 -14.1723 -14.1723 -12.8934 -12.8934 -12.4595 -12.4595 -8.1249 -8.1249 -7.3188 -7.3188 -4.0103 -4.0103 -3.5771 -3.5771 -3.4251 -3.4251 5.2358 5.2358 5.9715 5.9715 6.1943 6.1943 6.2328 6.2328 6.5582 6.5582 6.8333 6.8333 11.1506 11.1506 14.1050 14.1050 14.2209 14.2209 15.0091 15.0091 k = 0.4907-0.8181-0.4965 ( 2360 PWs) bands (ev): -32.9363 -32.9363 -20.0071 -20.0071 -14.1733 -14.1733 -12.8941 -12.8941 -12.4593 -12.4593 -8.1266 -8.1266 -7.3167 -7.3167 -4.0121 -4.0121 -3.5777 -3.5777 -3.4256 -3.4256 5.2341 5.2341 5.9858 5.9858 6.1935 6.1935 6.2186 6.2186 6.5576 6.5576 6.8333 6.8333 11.1481 11.1481 14.1119 14.1119 14.2168 14.2168 15.0171 15.0171 k = 0.5000-0.8335-0.5059 ( 2352 PWs) bands (ev): -32.9362 -32.9362 -20.0069 -20.0069 -14.1736 -14.1736 -12.8943 -12.8943 -12.4592 -12.4592 -8.1272 -8.1272 -7.3160 -7.3160 -4.0127 -4.0127 -3.5780 -3.5780 -3.4258 -3.4258 5.2335 5.2335 5.9911 5.9911 6.1931 6.1931 6.2136 6.2136 6.5574 6.5574 6.8332 6.8332 11.1472 11.1472 14.1143 14.1143 14.2154 14.2154 15.0198 15.0198 k = 0.5000-0.8335-0.5059 ( 2352 PWs) bands (ev): -32.9362 -32.9362 -20.0069 -20.0069 -14.1736 -14.1736 -12.8943 -12.8943 -12.4592 -12.4592 -8.1272 -8.1272 -7.3160 -7.3160 -4.0127 -4.0127 -3.5780 -3.5780 -3.4258 -3.4258 5.2335 5.2335 5.9911 5.9911 6.1931 6.1931 6.2136 6.2136 6.5574 6.5574 6.8332 6.8332 11.1472 11.1472 14.1143 14.1143 14.2154 14.2154 15.0198 15.0198 k = 0.5000-0.8230-0.5232 ( 2358 PWs) bands (ev): -32.9362 -32.9362 -20.0069 -20.0069 -14.1735 -14.1735 -12.8942 -12.8942 -12.4597 -12.4597 -8.1265 -8.1265 -7.3166 -7.3166 -4.0125 -4.0125 -3.5781 -3.5781 -3.4262 -3.4262 5.2344 5.2344 5.9887 5.9887 6.1935 6.1935 6.2138 6.2138 6.5594 6.5594 6.8316 6.8316 11.1499 11.1499 14.1162 14.1162 14.2136 14.2136 15.0108 15.0108 k = 0.5000-0.8125-0.5406 ( 2358 PWs) bands (ev): -32.9361 -32.9361 -20.0068 -20.0068 -14.1733 -14.1733 -12.8942 -12.8942 -12.4611 -12.4611 -8.1244 -8.1244 -7.3183 -7.3183 -4.0118 -4.0118 -3.5785 -3.5785 -3.4272 -3.4272 5.2373 5.2373 5.9819 5.9819 6.1945 6.1945 6.2143 6.2143 6.5651 6.5651 6.8266 6.8266 11.1577 11.1577 14.1216 14.1216 14.2082 14.2082 14.9849 14.9849 k = 0.5000-0.8019-0.5579 ( 2352 PWs) bands (ev): -32.9360 -32.9360 -20.0066 -20.0066 -14.1729 -14.1729 -12.8940 -12.8940 -12.4633 -12.4633 -8.1209 -8.1209 -7.3212 -7.3212 -4.0107 -4.0107 -3.5791 -3.5791 -3.4288 -3.4288 5.2420 5.2420 5.9710 5.9710 6.1962 6.1962 6.2153 6.2153 6.5743 6.5743 6.8184 6.8184 11.1706 11.1706 14.1306 14.1306 14.1994 14.1994 14.9445 14.9445 k = 0.5000-0.7914-0.5752 ( 2356 PWs) bands (ev): -32.9358 -32.9358 -20.0063 -20.0063 -14.1724 -14.1724 -12.8938 -12.8938 -12.4664 -12.4664 -8.1160 -8.1160 -7.3252 -7.3252 -4.0092 -4.0092 -3.5800 -3.5800 -3.4311 -3.4311 5.2485 5.2485 5.9566 5.9566 6.1982 6.1982 6.2167 6.2167 6.5864 6.5864 6.8071 6.8071 11.1887 11.1887 14.1424 14.1424 14.1871 14.1871 14.8932 14.8932 k = 0.5000-0.7809-0.5926 ( 2356 PWs) bands (ev): -32.9357 -32.9357 -20.0060 -20.0060 -14.1717 -14.1717 -12.8936 -12.8936 -12.4703 -12.4703 -8.1098 -8.1098 -7.3303 -7.3303 -4.0072 -4.0072 -3.5811 -3.5811 -3.4340 -3.4340 5.2569 5.2569 5.9395 5.9395 6.2004 6.2004 6.2184 6.2184 6.6007 6.6007 6.7929 6.7929 11.2117 11.2117 14.1562 14.1562 14.1717 14.1717 14.8347 14.8347 k = 0.5000-0.7703-0.6099 ( 2354 PWs) bands (ev): -32.9354 -32.9354 -20.0056 -20.0056 -14.1709 -14.1709 -12.8933 -12.8933 -12.4750 -12.4750 -8.1024 -8.1024 -7.3365 -7.3365 -4.0048 -4.0048 -3.5826 -3.5826 -3.4375 -3.4375 5.2670 5.2670 5.9204 5.9204 6.2029 6.2029 6.2204 6.2204 6.6166 6.6166 6.7760 6.7760 11.2395 11.2395 14.1511 14.1511 14.1729 14.1729 14.7728 14.7728 k = 0.5000-0.7598-0.6273 ( 2360 PWs) bands (ev): -32.9351 -32.9351 -20.0051 -20.0051 -14.1699 -14.1699 -12.8931 -12.8931 -12.4804 -12.4804 -8.0936 -8.0936 -7.3438 -7.3438 -4.0020 -4.0020 -3.5844 -3.5844 -3.4415 -3.4415 5.2788 5.2788 5.8998 5.8998 6.2054 6.2054 6.2228 6.2228 6.6332 6.6332 6.7570 6.7570 11.2720 11.2720 14.1288 14.1288 14.1873 14.1873 14.7114 14.7114 k = 0.5000-0.7493-0.6446 ( 2358 PWs) bands (ev): -32.9348 -32.9348 -20.0045 -20.0045 -14.1689 -14.1689 -12.8928 -12.8928 -12.4865 -12.4865 -8.0837 -8.0837 -7.3521 -7.3521 -3.9987 -3.9987 -3.5865 -3.5865 -3.4459 -3.4459 5.2922 5.2922 5.8782 5.8782 6.2081 6.2081 6.2255 6.2255 6.6492 6.6492 6.7369 6.7369 11.3091 11.3091 14.1029 14.1029 14.1976 14.1976 14.6556 14.6556 k = 0.5000-0.7388-0.6620 ( 2360 PWs) bands (ev): -32.9345 -32.9345 -20.0039 -20.0039 -14.1677 -14.1677 -12.8925 -12.8925 -12.4930 -12.4930 -8.0726 -8.0726 -7.3614 -7.3614 -3.9952 -3.9952 -3.5889 -3.5889 -3.4508 -3.4508 5.3072 5.3072 5.8561 5.8561 6.2109 6.2109 6.2285 6.2285 6.6614 6.6614 6.7185 6.7185 11.3505 11.3505 14.0738 14.0738 14.1987 14.1987 14.6116 14.6116 k = 0.5000-0.7282-0.6793 ( 2360 PWs) bands (ev): -32.9341 -32.9341 -20.0033 -20.0033 -14.1665 -14.1665 -12.8923 -12.8923 -12.5001 -12.5001 -8.0604 -8.0604 -7.3716 -7.3716 -3.9912 -3.9912 -3.5918 -3.5918 -3.4560 -3.4560 5.3237 5.3237 5.8339 5.8339 6.2138 6.2138 6.2315 6.2315 6.6602 6.6602 6.7114 6.7114 11.3962 11.3962 14.0416 14.0416 14.1843 14.1843 14.5862 14.5862 k = 0.5000-0.7177-0.6967 ( 2364 PWs) bands (ev): -32.9337 -32.9337 -20.0026 -20.0026 -14.1653 -14.1653 -12.8921 -12.8921 -12.5075 -12.5075 -8.0472 -8.0472 -7.3828 -7.3828 -3.9869 -3.9869 -3.5951 -3.5951 -3.4614 -3.4614 5.3415 5.3415 5.8119 5.8119 6.2168 6.2168 6.2347 6.2347 6.6413 6.6413 6.7197 6.7197 11.4458 11.4458 14.0064 14.0064 14.1514 14.1514 14.5830 14.5830 k = 0.5000-0.7072-0.7140 ( 2362 PWs) bands (ev): -32.9333 -32.9333 -20.0018 -20.0018 -14.1639 -14.1639 -12.8919 -12.8919 -12.5152 -12.5152 -8.0330 -8.0330 -7.3947 -7.3947 -3.9823 -3.9823 -3.5987 -3.5987 -3.4670 -3.4670 5.3606 5.3606 5.7904 5.7904 6.2200 6.2200 6.2377 6.2377 6.6152 6.6152 6.7332 6.7332 11.4993 11.4993 13.9683 13.9683 14.1023 14.1023 14.6001 14.6001 k = 0.5000-0.6966-0.7314 ( 2364 PWs) bands (ev): -32.9329 -32.9329 -20.0010 -20.0010 -14.1626 -14.1626 -12.8919 -12.8919 -12.5230 -12.5230 -8.0180 -8.0180 -7.4075 -7.4075 -3.9775 -3.9775 -3.6029 -3.6029 -3.4728 -3.4728 5.3809 5.3809 5.7695 5.7695 6.2233 6.2233 6.2406 6.2406 6.5865 6.5865 6.7472 6.7472 11.5564 11.5564 13.9275 13.9275 14.0422 14.0422 14.6324 14.6324 k = 0.5000-0.6861-0.7487 ( 2368 PWs) bands (ev): -32.9324 -32.9324 -20.0002 -20.0002 -14.1612 -14.1612 -12.8919 -12.8919 -12.5309 -12.5309 -8.0021 -8.0021 -7.4210 -7.4210 -3.9723 -3.9723 -3.6075 -3.6075 -3.4786 -3.4786 5.4023 5.4023 5.7495 5.7495 6.2268 6.2268 6.2430 6.2430 6.5567 6.5567 6.7604 6.7604 11.6170 11.6170 13.8839 13.8839 13.9759 13.9759 14.6755 14.6755 k = 0.5000-0.6756-0.7661 ( 2370 PWs) bands (ev): -32.9319 -32.9319 -19.9994 -19.9994 -14.1599 -14.1599 -12.8920 -12.8920 -12.5388 -12.5388 -7.9856 -7.9856 -7.4352 -7.4352 -3.9670 -3.9670 -3.6126 -3.6126 -3.4843 -3.4843 5.4245 5.4245 5.7305 5.7305 6.2305 6.2305 6.2447 6.2447 6.5267 6.5267 6.7723 6.7723 11.6810 11.6810 13.8377 13.8377 13.9064 13.9064 14.7264 14.7264 k = 0.5000-0.6650-0.7834 ( 2370 PWs) bands (ev): -32.9315 -32.9315 -19.9986 -19.9986 -14.1586 -14.1586 -12.8923 -12.8923 -12.5466 -12.5466 -7.9685 -7.9685 -7.4500 -7.4500 -3.9615 -3.9615 -3.6181 -3.6181 -3.4899 -3.4899 5.4476 5.4476 5.7128 5.7128 6.2344 6.2344 6.2453 6.2453 6.4972 6.4972 6.7826 6.7826 11.7482 11.7482 13.7883 13.7883 13.8363 13.8363 14.7830 14.7830 k = 0.5000-0.6545-0.8008 ( 2370 PWs) bands (ev): -32.9310 -32.9310 -19.9977 -19.9977 -14.1574 -14.1574 -12.8927 -12.8927 -12.5541 -12.5541 -7.9508 -7.9508 -7.4653 -7.4653 -3.9558 -3.9558 -3.6241 -3.6241 -3.4953 -3.4953 5.4714 5.4714 5.6963 5.6963 6.2383 6.2383 6.2445 6.2445 6.4690 6.4690 6.7910 6.7910 11.8184 11.8184 13.7343 13.7343 13.7683 13.7683 14.8441 14.8441 k = 0.5000-0.6440-0.8181 ( 2366 PWs) bands (ev): -32.9305 -32.9305 -19.9968 -19.9968 -14.1562 -14.1562 -12.8932 -12.8932 -12.5613 -12.5613 -7.9326 -7.9326 -7.4811 -7.4811 -3.9501 -3.9501 -3.6303 -3.6303 -3.5006 -3.5006 5.4957 5.4957 5.6811 5.6811 6.2394 6.2394 6.2443 6.2443 6.4430 6.4430 6.7975 6.7975 11.8914 11.8914 13.6729 13.6729 13.7061 13.7061 14.9090 14.9090 k = 0.5000-0.6335-0.8355 ( 2360 PWs) bands (ev): -32.9300 -32.9300 -19.9960 -19.9960 -14.1551 -14.1551 -12.8939 -12.8939 -12.5681 -12.5681 -7.9141 -7.9141 -7.4973 -7.4973 -3.9443 -3.9443 -3.6369 -3.6369 -3.5055 -3.5055 5.5204 5.5204 5.6675 5.6675 6.2333 6.2333 6.2483 6.2483 6.4204 6.4204 6.8019 6.8019 11.9673 11.9673 13.6055 13.6055 13.6490 13.6490 14.9767 14.9767 k = 0.5000-0.6229-0.8528 ( 2364 PWs) bands (ev): -32.9296 -32.9296 -19.9952 -19.9952 -14.1541 -14.1541 -12.8947 -12.8947 -12.5745 -12.5745 -7.8954 -7.8954 -7.5138 -7.5138 -3.9387 -3.9387 -3.6436 -3.6436 -3.5102 -3.5102 5.5454 5.5454 5.6554 5.6554 6.2226 6.2226 6.2530 6.2530 6.4019 6.4019 6.8044 6.8044 12.0457 12.0457 13.5360 13.5360 13.5934 13.5934 15.0469 15.0469 k = 0.5000-0.6124-0.8702 ( 2362 PWs) bands (ev): -32.9291 -32.9291 -19.9944 -19.9944 -14.1532 -14.1532 -12.8957 -12.8957 -12.5803 -12.5803 -7.8765 -7.8765 -7.5304 -7.5304 -3.9331 -3.9331 -3.6504 -3.6504 -3.5147 -3.5147 5.5703 5.5703 5.6449 5.6449 6.2076 6.2076 6.2581 6.2581 6.3881 6.3881 6.8047 6.8047 12.1265 12.1265 13.4665 13.4665 13.5379 13.5379 15.1189 15.1189 k = 0.5000-0.6019-0.8875 ( 2358 PWs) bands (ev): -32.9287 -32.9287 -19.9936 -19.9936 -14.1524 -14.1524 -12.8967 -12.8967 -12.5856 -12.5856 -7.8576 -7.8576 -7.5473 -7.5473 -3.9277 -3.9277 -3.6572 -3.6572 -3.5188 -3.5188 5.5949 5.5949 5.6363 5.6363 6.1889 6.1889 6.2634 6.2634 6.3787 6.3787 6.8030 6.8030 12.2096 12.2096 13.3976 13.3976 13.4821 13.4821 15.1924 15.1924 k = 0.5000-0.5913-0.9049 ( 2356 PWs) bands (ev): -32.9283 -32.9283 -19.9929 -19.9929 -14.1517 -14.1517 -12.8978 -12.8978 -12.5903 -12.5903 -7.8387 -7.8387 -7.5641 -7.5641 -3.9226 -3.9226 -3.6638 -3.6638 -3.5226 -3.5226 5.6171 5.6171 5.6315 5.6315 6.1673 6.1673 6.2690 6.2690 6.3729 6.3729 6.7994 6.7994 12.2947 12.2947 13.3296 13.3296 13.4261 13.4261 15.2668 15.2668 k = 0.5000-0.5808-0.9222 ( 2358 PWs) bands (ev): -32.9279 -32.9279 -19.9922 -19.9922 -14.1512 -14.1512 -12.8989 -12.8989 -12.5944 -12.5944 -7.8201 -7.8201 -7.5809 -7.5809 -3.9179 -3.9179 -3.6700 -3.6700 -3.5261 -3.5261 5.6206 5.6206 5.6465 5.6465 6.1442 6.1442 6.2747 6.2747 6.3696 6.3696 6.7938 6.7938 12.3815 12.3815 13.2627 13.2627 13.3702 13.3702 15.3417 15.3417 k = 0.5000-0.5703-0.9396 ( 2360 PWs) bands (ev): -32.9276 -32.9276 -19.9916 -19.9916 -14.1508 -14.1508 -12.9000 -12.9000 -12.5978 -12.5978 -7.8017 -7.8017 -7.5975 -7.5975 -3.9137 -3.9137 -3.6758 -3.6758 -3.5292 -3.5292 5.6172 5.6172 5.6692 5.6692 6.1206 6.1206 6.2805 6.2805 6.3679 6.3679 6.7866 6.7866 12.4695 12.4695 13.1970 13.1970 13.3148 13.3148 15.4166 15.4166 k = 0.5000-0.5598-0.9569 ( 2358 PWs) bands (ev): -32.9273 -32.9273 -19.9911 -19.9911 -14.1505 -14.1505 -12.9011 -12.9011 -12.6007 -12.6007 -7.7839 -7.7839 -7.6137 -7.6137 -3.9100 -3.9100 -3.6809 -3.6809 -3.5320 -3.5320 5.6148 5.6148 5.6913 5.6913 6.0976 6.0976 6.2864 6.2864 6.3674 6.3674 6.7777 6.7777 12.5583 12.5583 13.1325 13.1325 13.2604 13.2604 15.4910 15.4910 k = 0.5000-0.5492-0.9743 ( 2360 PWs) bands (ev): -32.9271 -32.9271 -19.9907 -19.9907 -14.1503 -14.1503 -12.9021 -12.9021 -12.6029 -12.6029 -7.7668 -7.7668 -7.6293 -7.6293 -3.9070 -3.9070 -3.6853 -3.6853 -3.5344 -3.5344 5.6138 5.6138 5.7121 5.7121 6.0759 6.0759 6.2924 6.2924 6.3674 6.3674 6.7675 6.7675 12.6465 12.6465 13.0694 13.0694 13.2082 13.2082 15.5640 15.5640 k = 0.5000-0.5387-0.9916 ( 2360 PWs) bands (ev): -32.9269 -32.9269 -19.9903 -19.9903 -14.1502 -14.1502 -12.9029 -12.9029 -12.6046 -12.6046 -7.7508 -7.7508 -7.6439 -7.6439 -3.9046 -3.9046 -3.6889 -3.6889 -3.5364 -3.5364 5.6143 5.6143 5.7307 5.7307 6.0565 6.0565 6.2984 6.2984 6.3677 6.3677 6.7561 6.7561 12.7318 12.7318 13.0079 13.0079 13.1605 13.1605 15.6332 15.6332 k = 0.5000-0.5282-1.0090 ( 2356 PWs) bands (ev): -32.9267 -32.9267 -19.9901 -19.9901 -14.1501 -14.1501 -12.9036 -12.9036 -12.6057 -12.6057 -7.7370 -7.7370 -7.6566 -7.6566 -3.9029 -3.9029 -3.6915 -3.6915 -3.5380 -3.5380 5.6163 5.6163 5.7466 5.7466 6.0403 6.0403 6.3042 6.3042 6.3681 6.3681 6.7438 6.7438 12.8077 12.8077 12.9484 12.9484 13.1230 13.1230 15.6863 15.6863 k = 0.5000-0.5176-1.0263 ( 2358 PWs) bands (ev): -32.9266 -32.9266 -19.9899 -19.9899 -14.1502 -14.1502 -12.9040 -12.9040 -12.6063 -12.6063 -7.7271 -7.7271 -7.6655 -7.6655 -3.9020 -3.9020 -3.6932 -3.6932 -3.5391 -3.5391 5.6196 5.6196 5.7589 5.7589 6.0281 6.0281 6.3098 6.3098 6.3683 6.3683 6.7309 6.7309 12.8540 12.8540 12.8965 12.8965 13.1104 13.1104 15.7035 15.7035 k = 0.5000-0.5071-1.0437 ( 2360 PWs) bands (ev): -32.9266 -32.9266 -19.9899 -19.9899 -14.1502 -14.1502 -12.9041 -12.9041 -12.6065 -12.6065 -7.7244 -7.7244 -7.6675 -7.6675 -3.9018 -3.9018 -3.6940 -3.6940 -3.5398 -3.5398 5.6241 5.6241 5.7669 5.7669 6.0208 6.0208 6.3150 6.3150 6.3684 6.3684 6.7177 6.7177 12.8231 12.8231 12.8802 12.8802 13.1423 13.1423 15.7068 15.7068 k = 0.5000-0.4966-1.0610 ( 2358 PWs) bands (ev): -32.9267 -32.9267 -19.9899 -19.9899 -14.1502 -14.1502 -12.9040 -12.9040 -12.6062 -12.6062 -7.7294 -7.7294 -7.6619 -7.6619 -3.9021 -3.9021 -3.6938 -3.6938 -3.5399 -3.5399 5.6299 5.6299 5.7701 5.7701 6.0188 6.0188 6.3196 6.3196 6.3681 6.3681 6.7048 6.7048 12.7688 12.7688 12.8534 12.8534 13.2107 13.2107 15.7057 15.7057 k = 0.5000-0.4861-1.0784 ( 2360 PWs) bands (ev): -32.9268 -32.9268 -19.9902 -19.9902 -14.1502 -14.1502 -12.9035 -12.9035 -12.6056 -12.6056 -7.7388 -7.7388 -7.6522 -7.6522 -3.9030 -3.9030 -3.6928 -3.6928 -3.5394 -3.5394 5.6367 5.6367 5.7688 5.7688 6.0221 6.0221 6.3235 6.3235 6.3674 6.3674 6.6924 6.6924 12.7142 12.7142 12.8133 12.8133 13.2951 13.2951 15.7015 15.7015 k = 0.5000-0.4755-1.0957 ( 2364 PWs) bands (ev): -32.9270 -32.9270 -19.9905 -19.9905 -14.1502 -14.1502 -12.9027 -12.9027 -12.6045 -12.6045 -7.7497 -7.7497 -7.6412 -7.6412 -3.9042 -3.9042 -3.6910 -3.6910 -3.5383 -3.5383 5.6444 5.6444 5.7636 5.7636 6.0298 6.0298 6.3265 6.3265 6.3663 6.3663 6.6811 6.6811 12.6606 12.6606 12.7683 12.7683 13.3856 13.3856 15.6944 15.6944 k = 0.8158-0.3881-0.9277 ( 2364 PWs) bands (ev): -32.9270 -32.9270 -19.9905 -19.9905 -14.1502 -14.1502 -12.9027 -12.9027 -12.6045 -12.6045 -7.7497 -7.7497 -7.6412 -7.6412 -3.9042 -3.9042 -3.6910 -3.6910 -3.5383 -3.5383 5.6444 5.6444 5.7636 5.7636 6.0298 6.0298 6.3265 6.3265 6.3663 6.3663 6.6811 6.6811 12.6606 12.6606 12.7683 12.7683 13.3856 13.3856 15.6944 15.6944 k = 0.8104-0.3790-0.9102 ( 2366 PWs) bands (ev): -32.9273 -32.9273 -19.9910 -19.9910 -14.1500 -14.1500 -12.9015 -12.9015 -12.6032 -12.6032 -7.7609 -7.7609 -7.6300 -7.6300 -3.9056 -3.9056 -3.6886 -3.6886 -3.5366 -3.5366 5.6529 5.6529 5.7555 5.7555 6.0410 6.0410 6.3283 6.3283 6.3648 6.3648 6.6714 6.6714 12.6080 12.6080 12.7217 12.7217 13.4787 13.4787 15.6842 15.6842 k = 0.8050-0.3699-0.8928 ( 2368 PWs) bands (ev): -32.9276 -32.9276 -19.9916 -19.9916 -14.1498 -14.1498 -12.8999 -12.8999 -12.6015 -12.6015 -7.7719 -7.7719 -7.6194 -7.6194 -3.9071 -3.9071 -3.6856 -3.6856 -3.5343 -3.5343 5.6619 5.6619 5.7456 5.7456 6.0546 6.0546 6.3289 6.3289 6.3629 6.3629 6.6636 6.6636 12.5568 12.5568 12.6750 12.6750 13.5720 13.5720 15.6707 15.6707 k = 0.7995-0.3608-0.8753 ( 2374 PWs) bands (ev): -32.9281 -32.9281 -19.9924 -19.9924 -14.1493 -14.1493 -12.8980 -12.8980 -12.5996 -12.5996 -7.7823 -7.7823 -7.6097 -7.6097 -3.9086 -3.9086 -3.6822 -3.6822 -3.5313 -3.5313 5.6712 5.6712 5.7347 5.7347 6.0698 6.0698 6.3281 6.3281 6.3607 6.3607 6.6582 6.6582 12.5071 12.5071 12.6292 12.6292 13.6643 13.6643 15.6536 15.6536 k = 0.7941-0.3517-0.8579 ( 2374 PWs) bands (ev): -32.9286 -32.9286 -19.9934 -19.9934 -14.1487 -14.1487 -12.8957 -12.8957 -12.5974 -12.5974 -7.7919 -7.7919 -7.6009 -7.6009 -3.9099 -3.9099 -3.6784 -3.6784 -3.5276 -3.5276 5.6803 5.6803 5.7235 5.7235 6.0857 6.0857 6.3261 6.3261 6.3582 6.3582 6.6555 6.6555 12.4589 12.4589 12.5847 12.5847 13.7547 13.7547 15.6327 15.6327 k = 0.7886-0.3427-0.8405 ( 2364 PWs) bands (ev): -32.9292 -32.9292 -19.9944 -19.9944 -14.1477 -14.1477 -12.8930 -12.8930 -12.5951 -12.5951 -7.8008 -7.8008 -7.5932 -7.5932 -3.9108 -3.9108 -3.6742 -3.6742 -3.5233 -3.5233 5.6887 5.6887 5.7129 5.7129 6.1019 6.1019 6.3229 6.3229 6.3557 6.3557 6.6556 6.6556 12.4124 12.4124 12.5417 12.5417 13.8425 13.8425 15.6080 15.6080 k = 0.7832-0.3336-0.8230 ( 2364 PWs) bands (ev): -32.9299 -32.9299 -19.9957 -19.9957 -14.1466 -14.1466 -12.8899 -12.8899 -12.5925 -12.5925 -7.8087 -7.8087 -7.5867 -7.5867 -3.9113 -3.9113 -3.6698 -3.6698 -3.5185 -3.5185 5.6930 5.6930 5.7061 5.7061 6.1179 6.1179 6.3191 6.3191 6.3533 6.3533 6.6585 6.6585 12.3675 12.3675 12.5006 12.5006 13.9270 13.9270 15.5793 15.5793 k = 0.7777-0.3245-0.8056 ( 2356 PWs) bands (ev): -32.9307 -32.9307 -19.9971 -19.9971 -14.1451 -14.1451 -12.8865 -12.8865 -12.5898 -12.5898 -7.8156 -7.8156 -7.5815 -7.5815 -3.9113 -3.9113 -3.6651 -3.6651 -3.5130 -3.5130 5.6869 5.6869 5.7093 5.7093 6.1333 6.1333 6.3151 6.3151 6.3512 6.3512 6.6640 6.6640 12.3243 12.3243 12.4614 12.4614 14.0075 14.0075 15.5465 15.5465 k = 0.7723-0.3154-0.7881 ( 2356 PWs) bands (ev): -32.9316 -32.9316 -19.9987 -19.9987 -14.1434 -14.1434 -12.8828 -12.8828 -12.5869 -12.5869 -7.8216 -7.8216 -7.5776 -7.5776 -3.9107 -3.9107 -3.6601 -3.6601 -3.5070 -3.5070 5.6777 5.6777 5.7149 5.7149 6.1478 6.1478 6.3115 6.3115 6.3498 6.3498 6.6719 6.6719 12.2829 12.2829 12.4243 12.4243 14.0835 14.0835 15.5098 15.5098 k = 0.7668-0.3064-0.7707 ( 2354 PWs) bands (ev): -32.9326 -32.9326 -20.0004 -20.0004 -14.1412 -14.1412 -12.8788 -12.8788 -12.5838 -12.5838 -7.8264 -7.8264 -7.5751 -7.5751 -3.9094 -3.9094 -3.6548 -3.6548 -3.5006 -3.5006 5.6686 5.6686 5.7196 5.7196 6.1609 6.1609 6.3089 6.3089 6.3492 6.3492 6.6820 6.6820 12.2432 12.2432 12.3894 12.3894 14.1543 14.1543 15.4692 15.4692 k = 0.7614-0.2973-0.7532 ( 2352 PWs) bands (ev): -32.9337 -32.9337 -20.0023 -20.0023 -14.1388 -14.1388 -12.8745 -12.8745 -12.5807 -12.5807 -7.8302 -7.8302 -7.5739 -7.5739 -3.9075 -3.9075 -3.6492 -3.6492 -3.4938 -3.4938 5.6600 5.6600 5.7225 5.7225 6.1722 6.1722 6.3080 6.3080 6.3499 6.3499 6.6939 6.6939 12.2054 12.2054 12.3569 12.3569 14.2195 14.2195 15.4249 15.4249 k = 0.7559-0.2882-0.7358 ( 2342 PWs) bands (ev): -32.9348 -32.9348 -20.0044 -20.0044 -14.1359 -14.1359 -12.8699 -12.8699 -12.5773 -12.5773 -7.8329 -7.8329 -7.5742 -7.5742 -3.9048 -3.9048 -3.6432 -3.6432 -3.4866 -3.4866 5.6520 5.6520 5.7233 5.7233 6.1816 6.1816 6.3093 6.3093 6.3521 6.3521 6.7074 6.7074 12.1695 12.1695 12.3267 12.3267 14.2786 14.2786 15.3771 15.3771 k = 0.7505-0.2791-0.7184 ( 2340 PWs) bands (ev): -32.9361 -32.9361 -20.0066 -20.0066 -14.1327 -14.1327 -12.8650 -12.8650 -12.5739 -12.5739 -7.8344 -7.8344 -7.5759 -7.5759 -3.9013 -3.9013 -3.6370 -3.6370 -3.4791 -3.4791 5.6447 5.6447 5.7219 5.7219 6.1886 6.1886 6.3131 6.3131 6.3562 6.3562 6.7223 6.7223 12.1356 12.1356 12.2990 12.2990 14.3314 14.3314 15.3260 15.3260 k = 0.7451-0.2700-0.7009 ( 2338 PWs) bands (ev): -32.9375 -32.9375 -20.0090 -20.0090 -14.1290 -14.1290 -12.8600 -12.8600 -12.5703 -12.5703 -7.8349 -7.8349 -7.5790 -7.5790 -3.8971 -3.8971 -3.6303 -3.6303 -3.4713 -3.4713 5.6379 5.6379 5.7183 5.7183 6.1932 6.1932 6.3195 6.3195 6.3622 6.3622 6.7383 6.7383 12.1037 12.1037 12.2739 12.2739 14.3773 14.3773 15.2718 15.2718 k = 0.7396-0.2610-0.6835 ( 2340 PWs) bands (ev): -32.9389 -32.9389 -20.0116 -20.0116 -14.1250 -14.1250 -12.8547 -12.8547 -12.5666 -12.5666 -7.8342 -7.8342 -7.5836 -7.5836 -3.8920 -3.8920 -3.6234 -3.6234 -3.4634 -3.4634 5.6317 5.6317 5.7125 5.7125 6.1955 6.1955 6.3287 6.3287 6.3701 6.3701 6.7553 6.7553 12.0739 12.0739 12.2512 12.2512 14.4163 14.4163 15.2150 15.2150 k = 0.7342-0.2519-0.6660 ( 2342 PWs) bands (ev): -32.9404 -32.9404 -20.0143 -20.0143 -14.1206 -14.1206 -12.8492 -12.8492 -12.5628 -12.5628 -7.8324 -7.8324 -7.5895 -7.5895 -3.8861 -3.8861 -3.6160 -3.6160 -3.4554 -3.4554 5.6259 5.6259 5.7047 5.7047 6.1958 6.1958 6.3406 6.3406 6.3798 6.3798 6.7731 6.7731 12.0462 12.0462 12.2312 12.2312 14.4483 14.4483 15.1557 15.1557 k = 0.7287-0.2428-0.6486 ( 2342 PWs) bands (ev): -32.9420 -32.9420 -20.0171 -20.0171 -14.1159 -14.1159 -12.8434 -12.8434 -12.5588 -12.5588 -7.8296 -7.8296 -7.5968 -7.5968 -3.8794 -3.8794 -3.6083 -3.6083 -3.4472 -3.4472 5.6206 5.6206 5.6953 5.6953 6.1945 6.1945 6.3548 6.3548 6.3911 6.3911 6.7914 6.7914 12.0207 12.0207 12.2137 12.2137 14.4730 14.4730 15.0945 15.0945 k = 0.7233-0.2337-0.6311 ( 2338 PWs) bands (ev): -32.9437 -32.9437 -20.0201 -20.0201 -14.1108 -14.1108 -12.8376 -12.8376 -12.5547 -12.5547 -7.8257 -7.8257 -7.6055 -7.6055 -3.8719 -3.8719 -3.6001 -3.6001 -3.4390 -3.4390 5.6156 5.6156 5.6846 5.6846 6.1918 6.1918 6.3710 6.3710 6.4039 6.4039 6.8101 6.8101 11.9974 11.9974 12.1988 12.1988 14.4906 14.4906 15.0315 15.0315 k = 0.7178-0.2247-0.6137 ( 2338 PWs) bands (ev): -32.9455 -32.9455 -20.0233 -20.0233 -14.1053 -14.1053 -12.8315 -12.8315 -12.5504 -12.5504 -7.8207 -7.8207 -7.6155 -7.6155 -3.8636 -3.8636 -3.5916 -3.5916 -3.4307 -3.4307 5.6107 5.6107 5.6728 5.6728 6.1883 6.1883 6.3885 6.3885 6.4182 6.4182 6.8291 6.8291 11.9764 11.9764 12.1865 12.1865 14.5011 14.5011 14.9673 14.9673 k = 0.7124-0.2156-0.5962 ( 2338 PWs) bands (ev): -32.9473 -32.9473 -20.0265 -20.0265 -14.0995 -14.0995 -12.8252 -12.8252 -12.5459 -12.5459 -7.8148 -7.8148 -7.6267 -7.6267 -3.8545 -3.8545 -3.5827 -3.5827 -3.4225 -3.4225 5.6060 5.6060 5.6605 5.6605 6.1841 6.1841 6.4067 6.4067 6.4342 6.4342 6.8481 6.8481 11.9578 11.9578 12.1767 12.1767 14.5046 14.5046 14.9023 14.9023 k = 0.7069-0.2065-0.5788 ( 2342 PWs) bands (ev): -32.9492 -32.9492 -20.0299 -20.0299 -14.0934 -14.0934 -12.8188 -12.8188 -12.5413 -12.5413 -7.8081 -7.8081 -7.6390 -7.6390 -3.8447 -3.8447 -3.5734 -3.5734 -3.4142 -3.4142 5.6012 5.6012 5.6479 5.6479 6.1795 6.1795 6.4247 6.4247 6.4523 6.4523 6.8671 6.8671 11.9416 11.9416 12.1693 12.1693 14.5010 14.5010 14.8367 14.8367 k = 0.7015-0.1974-0.5614 ( 2340 PWs) bands (ev): -32.9512 -32.9512 -20.0334 -20.0334 -14.0871 -14.0871 -12.8123 -12.8123 -12.5365 -12.5365 -7.8006 -7.8006 -7.6524 -7.6524 -3.8342 -3.8342 -3.5638 -3.5638 -3.4061 -3.4061 5.5963 5.5963 5.6353 5.6353 6.1748 6.1748 6.4418 6.4418 6.4729 6.4729 6.8859 6.8859 11.9279 11.9279 12.1645 12.1645 14.4906 14.4906 14.7711 14.7711 k = 0.6960-0.1883-0.5439 ( 2344 PWs) bands (ev): -32.9532 -32.9532 -20.0370 -20.0370 -14.0805 -14.0805 -12.8056 -12.8056 -12.5314 -12.5314 -7.7925 -7.7925 -7.6665 -7.6665 -3.8230 -3.8230 -3.5539 -3.5539 -3.3979 -3.3979 5.5910 5.5910 5.6231 5.6231 6.1701 6.1701 6.4580 6.4580 6.4955 6.4955 6.9042 6.9042 11.9167 11.9167 12.1620 12.1620 14.4732 14.4732 14.7058 14.7058 k = 0.6906-0.1793-0.5265 ( 2342 PWs) bands (ev): -32.9553 -32.9553 -20.0407 -20.0407 -14.0738 -14.0738 -12.7987 -12.7987 -12.5262 -12.5262 -7.7843 -7.7843 -7.6810 -7.6810 -3.8113 -3.8113 -3.5437 -3.5437 -3.3899 -3.3899 5.5853 5.5853 5.6116 5.6116 6.1655 6.1655 6.4738 6.4738 6.5196 6.5196 6.9220 6.9220 11.9080 11.9080 12.1619 12.1619 14.4490 14.4490 14.6414 14.6414 k = 0.6851-0.1702-0.5090 ( 2346 PWs) bands (ev): -32.9574 -32.9574 -20.0445 -20.0445 -14.0669 -14.0669 -12.7917 -12.7917 -12.5207 -12.5207 -7.7767 -7.7767 -7.6952 -7.6952 -3.7990 -3.7990 -3.5332 -3.5332 -3.3820 -3.3820 5.5791 5.5791 5.6010 5.6010 6.1612 6.1612 6.4893 6.4893 6.5446 6.5446 6.9391 6.9391 11.9019 11.9019 12.1639 12.1639 14.4178 14.4178 14.5781 14.5781 k = 0.6797-0.1611-0.4916 ( 2346 PWs) bands (ev): -32.9596 -32.9596 -20.0483 -20.0483 -14.0599 -14.0599 -12.7846 -12.7846 -12.5149 -12.5149 -7.7716 -7.7716 -7.7070 -7.7070 -3.7861 -3.7861 -3.5225 -3.5225 -3.3742 -3.3742 5.5724 5.5724 5.5913 5.5913 6.1571 6.1571 6.5048 6.5048 6.5701 6.5701 6.9553 6.9553 11.8985 11.8985 12.1681 12.1681 14.3798 14.3798 14.5163 14.5163 k = 0.6743-0.1520-0.4741 ( 2344 PWs) bands (ev): -32.9618 -32.9618 -20.0522 -20.0522 -14.0528 -14.0528 -12.7774 -12.7774 -12.5089 -12.5089 -7.7727 -7.7727 -7.7129 -7.7129 -3.7729 -3.7729 -3.5116 -3.5116 -3.3665 -3.3665 5.5653 5.5653 5.5825 5.5825 6.1534 6.1534 6.5205 6.5205 6.5958 6.5958 6.9705 6.9705 11.8977 11.8977 12.1744 12.1744 14.3351 14.3351 14.4562 14.4562 k = 0.6688-0.1430-0.4567 ( 2346 PWs) bands (ev): -32.9640 -32.9640 -20.0562 -20.0562 -14.0457 -14.0457 -12.7701 -12.7701 -12.5026 -12.5026 -7.7823 -7.7823 -7.7105 -7.7105 -3.7593 -3.7593 -3.5004 -3.5004 -3.3590 -3.3590 5.5582 5.5582 5.5745 5.5745 6.1501 6.1501 6.5364 6.5364 6.6215 6.6215 6.9844 6.9844 11.8996 11.8996 12.1825 12.1825 14.2842 14.2842 14.3976 14.3976 k = 0.6634-0.1339-0.4393 ( 2348 PWs) bands (ev): -32.9663 -32.9663 -20.0602 -20.0602 -14.0387 -14.0387 -12.7627 -12.7627 -12.4959 -12.4959 -7.7980 -7.7980 -7.7020 -7.7020 -3.7455 -3.7455 -3.4891 -3.4891 -3.3516 -3.3516 5.5512 5.5512 5.5671 5.5671 6.1472 6.1472 6.5527 6.5527 6.6470 6.6470 6.9970 6.9970 11.9042 11.9042 12.1925 12.1925 14.2275 14.2275 14.3407 14.3407 k = 0.6579-0.1248-0.4218 ( 2340 PWs) bands (ev): -32.9686 -32.9686 -20.0642 -20.0642 -14.0317 -14.0317 -12.7553 -12.7553 -12.4889 -12.4889 -7.8170 -7.8170 -7.6905 -7.6905 -3.7314 -3.7314 -3.4777 -3.4777 -3.3443 -3.3443 5.5441 5.5441 5.5606 5.5606 6.1445 6.1445 6.5694 6.5694 6.6721 6.6721 7.0081 7.0081 11.9116 11.9116 12.2041 12.2041 14.1658 14.1658 14.2858 14.2858 k = 0.6525-0.1157-0.4044 ( 2338 PWs) bands (ev): -32.9709 -32.9709 -20.0683 -20.0683 -14.0247 -14.0247 -12.7478 -12.7478 -12.4815 -12.4815 -7.8377 -7.8377 -7.6773 -7.6773 -3.7172 -3.7172 -3.4661 -3.4661 -3.3371 -3.3371 5.5365 5.5365 5.5557 5.5557 6.1422 6.1422 6.5866 6.5866 6.6965 6.6965 7.0176 7.0176 11.9217 11.9217 12.2172 12.2172 14.0996 14.0996 14.2334 14.2334 k = 0.6470-0.1066-0.3869 ( 2334 PWs) bands (ev): -32.9731 -32.9731 -20.0723 -20.0723 -14.0180 -14.0180 -12.7403 -12.7403 -12.4738 -12.4738 -7.8596 -7.8596 -7.6631 -7.6631 -3.7030 -3.7030 -3.4544 -3.4544 -3.3301 -3.3301 5.5280 5.5280 5.5527 5.5527 6.1401 6.1401 6.6044 6.6044 6.7202 6.7202 7.0253 7.0253 11.9345 11.9345 12.2318 12.2318 14.0296 14.0296 14.1842 14.1842 k = 0.6416-0.0976-0.3695 ( 2332 PWs) bands (ev): -32.9754 -32.9754 -20.0763 -20.0763 -14.0114 -14.0114 -12.7328 -12.7328 -12.4657 -12.4657 -7.8823 -7.8823 -7.6483 -7.6483 -3.6888 -3.6888 -3.4427 -3.4427 -3.3233 -3.3233 5.5185 5.5185 5.5518 5.5518 6.1381 6.1381 6.6228 6.6228 6.7429 6.7429 7.0313 7.0313 11.9501 11.9501 12.2475 12.2475 13.9569 13.9569 14.1386 14.1386 k = 0.6361-0.0885-0.3520 ( 2330 PWs) bands (ev): -32.9777 -32.9777 -20.0804 -20.0804 -14.0050 -14.0050 -12.7255 -12.7255 -12.4572 -12.4572 -7.9055 -7.9055 -7.6329 -7.6329 -3.6748 -3.6748 -3.4310 -3.4310 -3.3166 -3.3166 5.5082 5.5082 5.5531 5.5531 6.1362 6.1362 6.6418 6.6418 6.7646 6.7646 7.0353 7.0353 11.9683 11.9683 12.2644 12.2644 13.8826 13.8826 14.0969 14.0969 k = 0.6307-0.0794-0.3346 ( 2330 PWs) bands (ev): -32.9800 -32.9800 -20.0843 -20.0843 -13.9988 -13.9988 -12.7182 -12.7182 -12.4482 -12.4482 -7.9291 -7.9291 -7.6173 -7.6173 -3.6610 -3.6610 -3.4192 -3.4192 -3.3100 -3.3100 5.4973 5.4973 5.5564 5.5564 6.1344 6.1344 6.6615 6.6615 6.7848 6.7848 7.0375 7.0375 11.9893 11.9893 12.2821 12.2821 13.8076 13.8076 14.0594 14.0594 k = 0.6252-0.0703-0.3172 ( 2334 PWs) bands (ev): -32.9822 -32.9822 -20.0883 -20.0883 -13.9929 -13.9929 -12.7111 -12.7111 -12.4389 -12.4389 -7.9529 -7.9529 -7.6015 -7.6015 -3.6474 -3.6474 -3.4074 -3.4074 -3.3037 -3.3037 5.4858 5.4858 5.5618 5.5618 6.1324 6.1324 6.6818 6.6818 6.8035 6.8035 7.0380 7.0380 12.0130 12.0130 12.3006 12.3006 13.7330 13.7330 14.0260 14.0260 k = 0.6198-0.0612-0.2997 ( 2334 PWs) bands (ev): -32.9844 -32.9844 -20.0922 -20.0922 -13.9873 -13.9873 -12.7041 -12.7041 -12.4292 -12.4292 -7.9769 -7.9769 -7.5856 -7.5856 -3.6343 -3.6343 -3.3957 -3.3957 -3.2974 -3.2974 5.4739 5.4739 5.5692 5.5692 6.1304 6.1304 6.7028 6.7028 6.8203 6.8203 7.0368 7.0368 12.0393 12.0393 12.3197 12.3197 13.6595 13.6595 13.9969 13.9969 k = 0.6144-0.0522-0.2823 ( 2338 PWs) bands (ev): -32.9866 -32.9866 -20.0960 -20.0960 -13.9819 -13.9819 -12.6974 -12.6974 -12.4191 -12.4191 -8.0008 -8.0008 -7.5697 -7.5697 -3.6216 -3.6216 -3.3840 -3.3840 -3.2913 -3.2913 5.4618 5.4618 5.5787 5.5787 6.1282 6.1282 6.7244 6.7244 6.8348 6.8348 7.0344 7.0344 12.0681 12.0681 12.3392 12.3392 13.5876 13.5876 13.9720 13.9720 k = 0.6089-0.0431-0.2648 ( 2330 PWs) bands (ev): -32.9887 -32.9887 -20.0997 -20.0997 -13.9769 -13.9769 -12.6909 -12.6909 -12.4087 -12.4087 -8.0246 -8.0246 -7.5539 -7.5539 -3.6094 -3.6094 -3.3725 -3.3725 -3.2853 -3.2853 5.4494 5.4494 5.5902 5.5902 6.1258 6.1258 6.7464 6.7464 6.8464 6.8464 7.0313 7.0313 12.0995 12.0995 12.3589 12.3589 13.5178 13.5178 13.9511 13.9511 k = 0.6035-0.0340-0.2474 ( 2334 PWs) bands (ev): -32.9907 -32.9907 -20.1033 -20.1033 -13.9722 -13.9722 -12.6846 -12.6846 -12.3980 -12.3980 -8.0482 -8.0482 -7.5382 -7.5382 -3.5978 -3.5978 -3.3611 -3.3611 -3.2794 -3.2794 5.4369 5.4369 5.6038 5.6038 6.1232 6.1232 6.7687 6.7687 6.8545 6.8545 7.0281 7.0281 12.1332 12.1332 12.3788 12.3788 13.4505 13.4505 13.9324 13.9324 k = 0.5980-0.0249-0.2299 ( 2330 PWs) bands (ev): -32.9927 -32.9927 -20.1069 -20.1069 -13.9678 -13.9678 -12.6787 -12.6787 -12.3870 -12.3870 -8.0714 -8.0714 -7.5229 -7.5229 -3.5868 -3.5868 -3.3499 -3.3499 -3.2736 -3.2736 5.4244 5.4244 5.6194 5.6194 6.1203 6.1203 6.7910 6.7910 6.8585 6.8585 7.0257 7.0257 12.1692 12.1692 12.3985 12.3985 13.3859 13.3859 13.8970 13.8970 k = 0.5926-0.0159-0.2125 ( 2334 PWs) bands (ev): -32.9947 -32.9947 -20.1103 -20.1103 -13.9637 -13.9637 -12.6731 -12.6731 -12.3759 -12.3759 -8.0942 -8.0942 -7.5079 -7.5079 -3.5764 -3.5764 -3.3391 -3.3391 -3.2679 -3.2679 5.4119 5.4119 5.6370 5.6370 6.1173 6.1173 6.8123 6.8123 6.8583 6.8583 7.0248 7.0248 12.2073 12.2073 12.4180 12.4180 13.3241 13.3241 13.8434 13.8434 k = 0.5871-0.0068-0.1951 ( 2336 PWs) bands (ev): -32.9965 -32.9965 -20.1135 -20.1135 -13.9600 -13.9600 -12.6678 -12.6678 -12.3646 -12.3646 -8.1164 -8.1164 -7.4933 -7.4933 -3.5667 -3.5667 -3.3286 -3.3286 -3.2623 -3.2623 5.3996 5.3996 5.6566 5.6566 6.1140 6.1140 6.8281 6.8281 6.8582 6.8582 7.0260 7.0260 12.2474 12.2474 12.4371 12.4371 13.2655 13.2655 13.7896 13.7896 k = 0.5817 0.0023-0.1776 ( 2338 PWs) bands (ev): -32.9983 -32.9983 -20.1167 -20.1167 -13.9565 -13.9565 -12.6629 -12.6629 -12.3534 -12.3534 -8.1380 -8.1380 -7.4791 -7.4791 -3.5577 -3.5577 -3.3185 -3.3185 -3.2567 -3.2567 5.3876 5.3876 5.6782 5.6782 6.1106 6.1106 6.8259 6.8259 6.8704 6.8704 7.0292 7.0292 12.2892 12.2892 12.4557 12.4557 13.2100 13.2100 13.7375 13.7375 k = 0.5762 0.0114-0.1602 ( 2340 PWs) bands (ev): -33.0000 -33.0000 -20.1197 -20.1197 -13.9534 -13.9534 -12.6583 -12.6583 -12.3422 -12.3422 -8.1587 -8.1587 -7.4656 -7.4656 -3.5494 -3.5494 -3.3090 -3.3090 -3.2512 -3.2512 5.3759 5.3759 5.7016 5.7016 6.1071 6.1071 6.8104 6.8104 6.8907 6.8907 7.0339 7.0339 12.3324 12.3324 12.4735 12.4735 13.1578 13.1578 13.6874 13.6874 k = 0.5708 0.0205-0.1427 ( 2336 PWs) bands (ev): -33.0016 -33.0016 -20.1225 -20.1225 -13.9506 -13.9506 -12.6541 -12.6541 -12.3311 -12.3311 -8.1786 -8.1786 -7.4527 -7.4527 -3.5417 -3.5417 -3.3001 -3.3001 -3.2456 -3.2456 5.3647 5.3647 5.7268 5.7268 6.1035 6.1035 6.7889 6.7889 6.9123 6.9123 7.0397 7.0397 12.3765 12.3765 12.4907 12.4907 13.1091 13.1091 13.6398 13.6398 k = 0.5653 0.0295-0.1253 ( 2344 PWs) bands (ev): -33.0031 -33.0031 -20.1251 -20.1251 -13.9480 -13.9480 -12.6502 -12.6502 -12.3203 -12.3203 -8.1975 -8.1975 -7.4404 -7.4404 -3.5347 -3.5347 -3.2920 -3.2920 -3.2401 -3.2401 5.3539 5.3539 5.7537 5.7537 6.0999 6.0999 6.7633 6.7633 6.9338 6.9338 7.0460 7.0460 12.4210 12.4210 12.5073 12.5073 13.0639 13.0639 13.5949 13.5949 k = 0.5599 0.0386-0.1078 ( 2340 PWs) bands (ev): -33.0045 -33.0045 -20.1276 -20.1276 -13.9457 -13.9457 -12.6466 -12.6466 -12.3099 -12.3099 -8.2153 -8.2153 -7.4289 -7.4289 -3.5284 -3.5284 -3.2845 -3.2845 -3.2345 -3.2345 5.3437 5.3437 5.7821 5.7821 6.0963 6.0963 6.7346 6.7346 6.9547 6.9547 7.0525 7.0525 12.4645 12.4645 12.5239 12.5239 13.0224 13.0224 13.5530 13.5530 k = 0.5545 0.0477-0.0904 ( 2334 PWs) bands (ev): -33.0058 -33.0058 -20.1299 -20.1299 -13.9437 -13.9437 -12.6434 -12.6434 -12.3000 -12.3000 -8.2319 -8.2319 -7.4182 -7.4182 -3.5227 -3.5227 -3.2779 -3.2779 -3.2290 -3.2290 5.3342 5.3342 5.8119 5.8119 6.0928 6.0928 6.7035 6.7035 6.9745 6.9745 7.0590 7.0590 12.5034 12.5034 12.5436 12.5436 12.9846 12.9846 13.5141 13.5141 k = 0.5490 0.0568-0.0730 ( 2336 PWs) bands (ev): -33.0070 -33.0070 -20.1320 -20.1320 -13.9419 -13.9419 -12.6405 -12.6405 -12.2907 -12.2907 -8.2473 -8.2473 -7.4084 -7.4084 -3.5176 -3.5176 -3.2722 -3.2722 -3.2236 -3.2236 5.3253 5.3253 5.8429 5.8429 6.0895 6.0895 6.6704 6.6704 6.9931 6.9931 7.0654 7.0654 12.5294 12.5294 12.5740 12.5740 12.9508 12.9508 13.4786 13.4786 k = 0.5436 0.0658-0.0555 ( 2334 PWs) bands (ev): -33.0081 -33.0081 -20.1339 -20.1339 -13.9403 -13.9403 -12.6380 -12.6380 -12.2820 -12.2820 -8.2613 -8.2613 -7.3994 -7.3994 -3.5132 -3.5132 -3.2672 -3.2672 -3.2184 -3.2184 5.3172 5.3172 5.8749 5.8749 6.0863 6.0863 6.6360 6.6360 7.0101 7.0101 7.0715 7.0715 12.5438 12.5438 12.6128 12.6128 12.9209 12.9209 13.4465 13.4465 k = 0.5381 0.0749-0.0381 ( 2334 PWs) bands (ev): -33.0091 -33.0091 -20.1356 -20.1356 -13.9390 -13.9390 -12.6357 -12.6357 -12.2741 -12.2741 -8.2738 -8.2738 -7.3915 -7.3915 -3.5093 -3.5093 -3.2629 -3.2629 -3.2135 -3.2135 5.3100 5.3100 5.9073 5.9073 6.0834 6.0834 6.6009 6.6009 7.0253 7.0253 7.0772 7.0772 12.5533 12.5533 12.6526 12.6526 12.8953 12.8953 13.4180 13.4180 k = 0.5327 0.0840-0.0206 ( 2336 PWs) bands (ev): -33.0099 -33.0099 -20.1370 -20.1370 -13.9379 -13.9379 -12.6338 -12.6338 -12.2671 -12.2671 -8.2849 -8.2849 -7.3845 -7.3845 -3.5060 -3.5060 -3.2594 -3.2594 -3.2091 -3.2091 5.3035 5.3035 5.9399 5.9399 6.0808 6.0808 6.5657 6.5657 7.0384 7.0384 7.0828 7.0828 12.5601 12.5601 12.6904 12.6904 12.8739 12.8739 13.3931 13.3931 k = 0.5272 0.0931-0.0032 ( 2338 PWs) bands (ev): -33.0106 -33.0106 -20.1383 -20.1383 -13.9369 -13.9369 -12.6322 -12.6322 -12.2610 -12.2610 -8.2943 -8.2943 -7.3785 -7.3785 -3.5033 -3.5033 -3.2565 -3.2565 -3.2051 -3.2051 5.2981 5.2981 5.9718 5.9718 6.0786 6.0786 6.5313 6.5313 7.0492 7.0492 7.0881 7.0881 12.5649 12.5649 12.7245 12.7245 12.8568 12.8568 13.3719 13.3719 k = 0.5218 0.1022 0.0143 ( 2342 PWs) bands (ev): -33.0112 -33.0112 -20.1393 -20.1393 -13.9362 -13.9362 -12.6309 -12.6309 -12.2559 -12.2559 -8.3022 -8.3022 -7.3735 -7.3735 -3.5010 -3.5010 -3.2542 -3.2542 -3.2017 -3.2017 5.2935 5.2935 6.0021 6.0021 6.0767 6.0767 6.4986 6.4986 7.0577 7.0577 7.0930 7.0930 12.5679 12.5679 12.7534 12.7534 12.8442 12.8442 13.3546 13.3546 k = 0.5163 0.1112 0.0317 ( 2344 PWs) bands (ev): -33.0117 -33.0117 -20.1401 -20.1401 -13.9356 -13.9356 -12.6299 -12.6299 -12.2519 -12.2519 -8.3083 -8.3083 -7.3697 -7.3697 -3.4993 -3.4993 -3.2524 -3.2524 -3.1990 -3.1990 5.2899 5.2899 6.0293 6.0293 6.0755 6.0755 6.4694 6.4694 7.0639 7.0639 7.0974 7.0974 12.5698 12.5698 12.7756 12.7756 12.8364 12.8364 13.3410 13.3410 k = 0.5109 0.1203 0.0491 ( 2346 PWs) bands (ev): -33.0120 -33.0120 -20.1407 -20.1407 -13.9352 -13.9352 -12.6292 -12.6292 -12.2490 -12.2490 -8.3127 -8.3127 -7.3669 -7.3669 -3.4981 -3.4981 -3.2512 -3.2512 -3.1971 -3.1971 5.2874 5.2874 6.0511 6.0511 6.0750 6.0750 6.4455 6.4455 7.0681 7.0681 7.1009 7.1009 12.5708 12.5708 12.7894 12.7894 12.8339 12.8339 13.3314 13.3314 k = 0.5054 0.1294 0.0666 ( 2356 PWs) bands (ev): -33.0122 -33.0122 -20.1411 -20.1411 -13.9350 -13.9350 -12.6287 -12.6287 -12.2472 -12.2472 -8.3154 -8.3154 -7.3652 -7.3652 -3.4974 -3.4974 -3.2505 -3.2505 -3.1959 -3.1959 5.2858 5.2858 6.0641 6.0641 6.0765 6.0765 6.4295 6.4295 7.0704 7.0704 7.1031 7.1031 12.5712 12.5712 12.7953 12.7953 12.8351 12.8351 13.3255 13.3255 k = 0.5000 0.1385 0.0840 ( 2360 PWs) bands (ev): -33.0123 -33.0123 -20.1412 -20.1412 -13.9349 -13.9349 -12.6286 -12.6286 -12.2467 -12.2467 -8.3162 -8.3162 -7.3647 -7.3647 -3.4971 -3.4971 -3.2502 -3.2502 -3.1955 -3.1955 5.2853 5.2853 6.0673 6.0673 6.0784 6.0784 6.4239 6.4239 7.0712 7.0712 7.1039 7.1039 12.5713 12.5713 12.7967 12.7967 12.8362 12.8362 13.3236 13.3236 k = 0.5000 0.1385 0.0840 ( 2360 PWs) bands (ev): -33.0123 -33.0123 -20.1412 -20.1412 -13.9349 -13.9349 -12.6286 -12.6286 -12.2467 -12.2467 -8.3162 -8.3162 -7.3647 -7.3647 -3.4971 -3.4971 -3.2502 -3.2502 -3.1955 -3.1955 5.2853 5.2853 6.0673 6.0673 6.0784 6.0784 6.4239 6.4239 7.0712 7.0712 7.1039 7.1039 12.5713 12.5713 12.7967 12.7967 12.8362 12.8362 13.3236 13.3236 k = 0.4808 0.1331 0.0808 ( 2360 PWs) bands (ev): -33.0123 -33.0123 -20.1412 -20.1412 -13.9349 -13.9349 -12.6286 -12.6286 -12.2467 -12.2467 -8.3156 -8.3156 -7.3653 -7.3653 -3.4971 -3.4971 -3.2502 -3.2502 -3.1955 -3.1955 5.2829 5.2829 6.0668 6.0668 6.0780 6.0780 6.4272 6.4272 7.0719 7.0719 7.1046 7.1046 12.5714 12.5714 12.7964 12.7964 12.8359 12.8359 13.3091 13.3091 k = 0.4615 0.1278 0.0776 ( 2342 PWs) bands (ev): -33.0123 -33.0123 -20.1411 -20.1411 -13.9350 -13.9350 -12.6287 -12.6287 -12.2466 -12.2466 -8.3138 -8.3138 -7.3671 -7.3671 -3.4969 -3.4969 -3.2500 -3.2500 -3.1955 -3.1955 5.2760 5.2760 6.0654 6.0654 6.0766 6.0766 6.4370 6.4370 7.0739 7.0739 7.1066 7.1066 12.5717 12.5717 12.7953 12.7953 12.8348 12.8348 13.2687 13.2687 k = 0.4423 0.1225 0.0743 ( 2342 PWs) bands (ev): -33.0123 -33.0123 -20.1411 -20.1411 -13.9351 -13.9351 -12.6289 -12.6289 -12.2466 -12.2466 -8.3108 -8.3108 -7.3702 -7.3702 -3.4966 -3.4966 -3.2497 -3.2497 -3.1954 -3.1954 5.2646 5.2646 6.0631 6.0631 6.0743 6.0743 6.4530 6.4530 7.0771 7.0771 7.1099 7.1099 12.5721 12.5721 12.7936 12.7936 12.8331 12.8331 13.2093 13.2093 k = 0.4231 0.1172 0.0711 ( 2336 PWs) bands (ev): -33.0123 -33.0123 -20.1411 -20.1411 -13.9353 -13.9353 -12.6292 -12.6292 -12.2466 -12.2466 -8.3067 -8.3067 -7.3744 -7.3744 -3.4963 -3.4963 -3.2494 -3.2494 -3.1954 -3.1954 5.2495 5.2495 6.0600 6.0600 6.0711 6.0711 6.4746 6.4746 7.0816 7.0816 7.1144 7.1144 12.5727 12.5727 12.7912 12.7912 12.8307 12.8307 13.1374 13.1374 k = 0.4038 0.1118 0.0679 ( 2336 PWs) bands (ev): -33.0123 -33.0123 -20.1410 -20.1410 -13.9356 -13.9356 -12.6295 -12.6295 -12.2466 -12.2466 -8.3014 -8.3014 -7.3797 -7.3797 -3.4958 -3.4958 -3.2489 -3.2489 -3.1954 -3.1954 5.2310 5.2310 6.0561 6.0561 6.0672 6.0672 6.5013 6.5013 7.0872 7.0872 7.1200 7.1200 12.5733 12.5733 12.7882 12.7882 12.8277 12.8277 13.0581 13.0581 k = 0.3846 0.1065 0.0646 ( 2336 PWs) bands (ev): -33.0123 -33.0123 -20.1409 -20.1409 -13.9358 -13.9358 -12.6300 -12.6300 -12.2466 -12.2466 -8.2950 -8.2950 -7.3862 -7.3862 -3.4953 -3.4953 -3.2484 -3.2484 -3.1954 -3.1954 5.2099 5.2099 6.0515 6.0515 6.0626 6.0626 6.5323 6.5323 7.0938 7.0938 7.1267 7.1267 12.5739 12.5739 12.7846 12.7846 12.8241 12.8241 12.9748 12.9748 k = 0.3654 0.1012 0.0614 ( 2336 PWs) bands (ev): -33.0123 -33.0123 -20.1409 -20.1409 -13.9362 -13.9362 -12.6304 -12.6304 -12.2466 -12.2466 -8.2876 -8.2876 -7.3938 -7.3938 -3.4947 -3.4947 -3.2478 -3.2478 -3.1953 -3.1953 5.1868 5.1868 6.0463 6.0463 6.0573 6.0573 6.5668 6.5668 7.1013 7.1013 7.1343 7.1343 12.5741 12.5741 12.7805 12.7805 12.8199 12.8199 12.8898 12.8898 k = 0.3462 0.0959 0.0582 ( 2342 PWs) bands (ev): -33.0123 -33.0123 -20.1408 -20.1408 -13.9366 -13.9366 -12.6310 -12.6310 -12.2466 -12.2466 -8.2792 -8.2792 -7.4023 -7.4023 -3.4941 -3.4941 -3.2471 -3.2471 -3.1953 -3.1953 5.1622 5.1622 6.0406 6.0406 6.0516 6.0516 6.6042 6.6042 7.1097 7.1097 7.1427 7.1427 12.5736 12.5736 12.7760 12.7760 12.8029 12.8029 12.8175 12.8175 k = 0.3269 0.0905 0.0549 ( 2342 PWs) bands (ev): -33.0123 -33.0123 -20.1407 -20.1407 -13.9370 -13.9370 -12.6315 -12.6315 -12.2466 -12.2466 -8.2699 -8.2699 -7.4118 -7.4118 -3.4934 -3.4934 -3.2463 -3.2463 -3.1953 -3.1953 5.1367 5.1367 6.0344 6.0344 6.0454 6.0454 6.6438 6.6438 7.1186 7.1186 7.1517 7.1517 12.5707 12.5707 12.7224 12.7224 12.7710 12.7710 12.8111 12.8111 k = 0.3077 0.0852 0.0517 ( 2336 PWs) bands (ev): -33.0123 -33.0123 -20.1406 -20.1406 -13.9374 -13.9374 -12.6321 -12.6321 -12.2466 -12.2466 -8.2597 -8.2597 -7.4220 -7.4220 -3.4926 -3.4926 -3.2455 -3.2455 -3.1953 -3.1953 5.1108 5.1108 6.0280 6.0280 6.0389 6.0389 6.6849 6.6849 7.1281 7.1281 7.1612 7.1612 12.5586 12.5586 12.6512 12.6512 12.7658 12.7658 12.8059 12.8059 k = 0.2885 0.0799 0.0485 ( 2333 PWs) bands (ev): -33.0123 -33.0123 -20.1405 -20.1405 -13.9378 -13.9378 -12.6328 -12.6328 -12.2466 -12.2466 -8.2488 -8.2488 -7.4331 -7.4331 -3.4918 -3.4918 -3.2447 -3.2447 -3.1952 -3.1952 5.0848 5.0848 6.0214 6.0214 6.0322 6.0322 6.7269 6.7269 7.1379 7.1379 7.1711 7.1711 12.5162 12.5162 12.6123 12.6123 12.7603 12.7603 12.8005 12.8005 k = 0.2692 0.0746 0.0452 ( 2332 PWs) bands (ev): -33.0123 -33.0123 -20.1404 -20.1404 -13.9383 -13.9383 -12.6334 -12.6334 -12.2466 -12.2466 -8.2373 -8.2373 -7.4448 -7.4448 -3.4910 -3.4910 -3.2438 -3.2438 -3.1952 -3.1952 5.0593 5.0593 6.0146 6.0146 6.0255 6.0255 6.7693 6.7693 7.1479 7.1479 7.1811 7.1811 12.4476 12.4476 12.6022 12.6022 12.7547 12.7547 12.7950 12.7950 k = 0.2500 0.0692 0.0420 ( 2332 PWs) bands (ev): -33.0123 -33.0123 -20.1403 -20.1403 -13.9388 -13.9388 -12.6341 -12.6341 -12.2466 -12.2466 -8.2252 -8.2252 -7.4570 -7.4570 -3.4902 -3.4902 -3.2429 -3.2429 -3.1952 -3.1952 5.0345 5.0345 6.0079 6.0079 6.0187 6.0187 6.8115 6.8115 7.1580 7.1580 7.1912 7.1912 12.3739 12.3739 12.6001 12.6001 12.7491 12.7491 12.7895 12.7895 k = 0.2308 0.0639 0.0388 ( 2332 PWs) bands (ev): -33.0123 -33.0123 -20.1402 -20.1402 -13.9392 -13.9392 -12.6347 -12.6347 -12.2466 -12.2466 -8.2128 -8.2128 -7.4696 -7.4696 -3.4894 -3.4894 -3.2420 -3.2420 -3.1951 -3.1951 5.0106 5.0106 6.0013 6.0013 6.0121 6.0121 6.8530 6.8530 7.1680 7.1680 7.2012 7.2012 12.3015 12.3015 12.6003 12.6003 12.7435 12.7435 12.7840 12.7840 k = 0.2115 0.0586 0.0356 ( 2341 PWs) bands (ev): -33.0123 -33.0123 -20.1401 -20.1401 -13.9397 -13.9397 -12.6354 -12.6354 -12.2466 -12.2466 -8.2001 -8.2001 -7.4824 -7.4824 -3.4886 -3.4886 -3.2411 -3.2411 -3.1951 -3.1951 4.9879 4.9879 5.9949 5.9949 6.0056 6.0056 6.8933 6.8933 7.1778 7.1778 7.2110 7.2110 12.2322 12.2322 12.6014 12.6014 12.7379 12.7379 12.7787 12.7787 k = 0.1923 0.0533 0.0323 ( 2344 PWs) bands (ev): -33.0123 -33.0123 -20.1400 -20.1400 -13.9402 -13.9402 -12.6360 -12.6360 -12.2466 -12.2466 -8.1874 -8.1874 -7.4953 -7.4953 -3.4879 -3.4879 -3.2403 -3.2403 -3.1951 -3.1951 4.9666 4.9666 5.9888 5.9888 5.9994 5.9994 6.9319 6.9319 7.1873 7.1873 7.2204 7.2204 12.1668 12.1668 12.6028 12.6028 12.7326 12.7326 12.7735 12.7735 k = 0.1731 0.0479 0.0291 ( 2344 PWs) bands (ev): -33.0123 -33.0123 -20.1399 -20.1399 -13.9406 -13.9406 -12.6366 -12.6366 -12.2466 -12.2466 -8.1748 -8.1748 -7.5080 -7.5080 -3.4872 -3.4872 -3.2394 -3.2394 -3.1951 -3.1951 4.9469 4.9469 5.9830 5.9830 5.9936 5.9936 6.9684 6.9684 7.1963 7.1963 7.2293 7.2293 12.1060 12.1060 12.6044 12.6044 12.7275 12.7275 12.7687 12.7687 k = 0.1538 0.0426 0.0259 ( 2344 PWs) bands (ev): -33.0123 -33.0123 -20.1398 -20.1398 -13.9410 -13.9410 -12.6372 -12.6372 -12.2466 -12.2466 -8.1625 -8.1625 -7.5205 -7.5205 -3.4865 -3.4865 -3.2387 -3.2387 -3.1950 -3.1950 4.9289 4.9289 5.9777 5.9777 5.9882 5.9882 7.0023 7.0023 7.2048 7.2048 7.2376 7.2376 12.0502 12.0502 12.6059 12.6059 12.7228 12.7228 12.7641 12.7641 k = 0.1346 0.0373 0.0226 ( 2347 PWs) bands (ev): -33.0123 -33.0123 -20.1397 -20.1397 -13.9414 -13.9414 -12.6377 -12.6377 -12.2466 -12.2466 -8.1508 -8.1508 -7.5323 -7.5323 -3.4859 -3.4859 -3.2379 -3.2379 -3.1950 -3.1950 4.9127 4.9127 5.9728 5.9728 5.9833 5.9833 7.0332 7.0332 7.2126 7.2126 7.2452 7.2452 11.9999 11.9999 12.6075 12.6075 12.7184 12.7184 12.7600 12.7600 k = 0.1154 0.0320 0.0194 ( 2344 PWs) bands (ev): -33.0123 -33.0123 -20.1396 -20.1396 -13.9417 -13.9417 -12.6382 -12.6382 -12.2466 -12.2466 -8.1399 -8.1399 -7.5433 -7.5433 -3.4853 -3.4853 -3.2373 -3.2373 -3.1950 -3.1950 4.8986 4.8986 5.9685 5.9685 5.9790 5.9790 7.0607 7.0607 7.2197 7.2197 7.2519 7.2519 11.9555 11.9555 12.6089 12.6089 12.7145 12.7145 12.7563 12.7563 k = 0.0962 0.0266 0.0162 ( 2332 PWs) bands (ev): -33.0123 -33.0123 -20.1395 -20.1395 -13.9420 -13.9420 -12.6386 -12.6386 -12.2466 -12.2466 -8.1301 -8.1301 -7.5532 -7.5532 -3.4848 -3.4848 -3.2367 -3.2367 -3.1949 -3.1949 4.8864 4.8864 5.9648 5.9648 5.9752 5.9752 7.0846 7.0846 7.2260 7.2260 7.2578 7.2578 11.9173 11.9173 12.6102 12.6102 12.7112 12.7112 12.7531 12.7531 k = 0.0769 0.0213 0.0129 ( 2332 PWs) bands (ev): -33.0123 -33.0123 -20.1395 -20.1395 -13.9422 -13.9422 -12.6389 -12.6389 -12.2466 -12.2466 -8.1215 -8.1215 -7.5619 -7.5619 -3.4844 -3.4844 -3.2362 -3.2362 -3.1949 -3.1949 4.8764 4.8764 5.9617 5.9617 5.9721 5.9721 7.1045 7.1045 7.2313 7.2313 7.2627 7.2627 11.8856 11.8856 12.6113 12.6113 12.7083 12.7083 12.7505 12.7505 k = 0.0577 0.0160 0.0097 ( 2332 PWs) bands (ev): -33.0123 -33.0123 -20.1394 -20.1394 -13.9424 -13.9424 -12.6392 -12.6392 -12.2466 -12.2466 -8.1146 -8.1146 -7.5689 -7.5689 -3.4841 -3.4841 -3.2358 -3.2358 -3.1949 -3.1949 4.8685 4.8685 5.9592 5.9592 5.9696 5.9696 7.1201 7.1201 7.2356 7.2356 7.2666 7.2666 11.8607 11.8607 12.6122 12.6122 12.7061 12.7061 12.7484 12.7484 k = 0.0385 0.0107 0.0065 ( 2332 PWs) bands (ev): -33.0123 -33.0123 -20.1394 -20.1394 -13.9425 -13.9425 -12.6394 -12.6394 -12.2466 -12.2466 -8.1094 -8.1094 -7.5741 -7.5741 -3.4839 -3.4839 -3.2355 -3.2355 -3.1949 -3.1949 4.8629 4.8629 5.9575 5.9575 5.9678 5.9678 7.1313 7.1313 7.2388 7.2388 7.2694 7.2694 11.8427 11.8427 12.6128 12.6128 12.7045 12.7045 12.7469 12.7469 k = 0.0192 0.0053 0.0032 ( 2341 PWs) bands (ev): -33.0123 -33.0123 -20.1394 -20.1394 -13.9426 -13.9426 -12.6395 -12.6395 -12.2466 -12.2466 -8.1063 -8.1063 -7.5773 -7.5773 -3.4838 -3.4838 -3.2354 -3.2354 -3.1949 -3.1949 4.8595 4.8595 5.9564 5.9564 5.9668 5.9668 7.1381 7.1381 7.2407 7.2407 7.2710 7.2710 11.8318 11.8318 12.6131 12.6131 12.7035 12.7035 12.7459 12.7459 k = 0.0000 0.0000 0.0000 ( 2335 PWs) bands (ev): -33.0123 -33.0123 -20.1394 -20.1394 -13.9427 -13.9427 -12.6395 -12.6395 -12.2466 -12.2466 -8.1052 -8.1052 -7.5783 -7.5783 -3.4837 -3.4837 -3.2353 -3.2353 -3.1949 -3.1949 4.8583 4.8583 5.9560 5.9560 5.9664 5.9664 7.1404 7.1404 7.2414 7.2414 7.2716 7.2716 11.8282 11.8282 12.6133 12.6133 12.7032 12.7032 12.7456 12.7456 k = 0.0000 0.0000 0.0000 ( 2335 PWs) bands (ev): -33.0123 -33.0123 -20.1394 -20.1394 -13.9427 -13.9427 -12.6395 -12.6395 -12.2466 -12.2466 -8.1052 -8.1052 -7.5783 -7.5783 -3.4837 -3.4837 -3.2353 -3.2353 -3.1949 -3.1949 4.8583 4.8583 5.9560 5.9560 5.9664 5.9664 7.1404 7.1404 7.2414 7.2414 7.2716 7.2716 11.8282 11.8282 12.6133 12.6133 12.7032 12.7032 12.7456 12.7456 k = 0.0054-0.0091-0.0174 ( 2337 PWs) bands (ev): -33.0122 -33.0122 -20.1393 -20.1393 -13.9427 -13.9427 -12.6397 -12.6397 -12.2472 -12.2472 -8.1045 -8.1045 -7.5786 -7.5786 -3.4841 -3.4841 -3.2356 -3.2356 -3.1953 -3.1953 4.8598 4.8598 5.9563 5.9563 5.9666 5.9666 7.1399 7.1399 7.2395 7.2395 7.2697 7.2697 11.8320 11.8320 12.6139 12.6139 12.7029 12.7029 12.7455 12.7455 k = 0.0109-0.0181-0.0348 ( 2337 PWs) bands (ev): -33.0120 -33.0120 -20.1389 -20.1389 -13.9429 -13.9429 -12.6400 -12.6400 -12.2489 -12.2489 -8.1026 -8.1026 -7.5794 -7.5794 -3.4850 -3.4850 -3.2366 -3.2366 -3.1966 -3.1966 4.8640 4.8640 5.9569 5.9569 5.9674 5.9674 7.1385 7.1385 7.2334 7.2334 7.2645 7.2645 11.8432 11.8432 12.6156 12.6156 12.7013 12.7013 12.7461 12.7461 k = 0.0163-0.0272-0.0522 ( 2341 PWs) bands (ev): -33.0117 -33.0117 -20.1384 -20.1384 -13.9433 -13.9433 -12.6407 -12.6407 -12.2518 -12.2518 -8.0993 -8.0993 -7.5807 -7.5807 -3.4867 -3.4867 -3.2382 -3.2382 -3.1986 -3.1986 4.8711 4.8711 5.9577 5.9577 5.9688 5.9688 7.1360 7.1360 7.2218 7.2218 7.2575 7.2575 11.8619 11.8619 12.6180 12.6180 12.6964 12.6964 12.7498 12.7498 k = 0.0217-0.0362-0.0696 ( 2343 PWs) bands (ev): -33.0112 -33.0112 -20.1376 -20.1376 -13.9437 -13.9437 -12.6416 -12.6416 -12.2557 -12.2557 -8.0948 -8.0948 -7.5826 -7.5826 -3.4890 -3.4890 -3.2405 -3.2405 -3.2014 -3.2014 4.8810 4.8810 5.9583 5.9583 5.9712 5.9712 7.1322 7.1322 7.2041 7.2041 7.2498 7.2498 11.8877 11.8877 12.6205 12.6205 12.6872 12.6872 12.7586 12.7586 k = 0.0271-0.0453-0.0870 ( 2347 PWs) bands (ev): -33.0107 -33.0107 -20.1366 -20.1366 -13.9444 -13.9444 -12.6429 -12.6429 -12.2607 -12.2607 -8.0890 -8.0890 -7.5849 -7.5849 -3.4920 -3.4920 -3.2435 -3.2435 -3.2049 -3.2049 4.8936 4.8936 5.9588 5.9588 5.9748 5.9748 7.1265 7.1265 7.1810 7.1810 7.2417 7.2417 11.9203 11.9203 12.6221 12.6221 12.6743 12.6743 12.7729 12.7729 k = 0.0326-0.0543-0.1044 ( 2345 PWs) bands (ev): -33.0099 -33.0099 -20.1354 -20.1354 -13.9451 -13.9451 -12.6443 -12.6443 -12.2667 -12.2667 -8.0821 -8.0821 -7.5878 -7.5878 -3.4956 -3.4956 -3.2472 -3.2472 -3.2089 -3.2089 4.9089 4.9089 5.9589 5.9589 5.9794 5.9794 7.1166 7.1166 7.1554 7.1554 7.2330 7.2330 11.9594 11.9594 12.6207 12.6207 12.6603 12.6603 12.7926 12.7926 k = 0.0380-0.0634-0.1217 ( 2343 PWs) bands (ev): -33.0091 -33.0091 -20.1339 -20.1339 -13.9461 -13.9461 -12.6461 -12.6461 -12.2736 -12.2736 -8.0740 -8.0740 -7.5912 -7.5912 -3.4999 -3.4999 -3.2518 -3.2518 -3.2134 -3.2134 4.9267 4.9267 5.9588 5.9588 5.9850 5.9850 7.0957 7.0957 7.1347 7.1347 7.2235 7.2235 12.0046 12.0046 12.6118 12.6118 12.6502 12.6502 12.8174 12.8174 k = 0.0434-0.0724-0.1391 ( 2343 PWs) bands (ev): -33.0082 -33.0082 -20.1323 -20.1323 -13.9472 -13.9472 -12.6481 -12.6481 -12.2814 -12.2814 -8.0649 -8.0649 -7.5950 -7.5950 -3.5048 -3.5048 -3.2573 -3.2573 -3.2181 -3.2181 4.9470 4.9470 5.9585 5.9585 5.9915 5.9915 7.0610 7.0610 7.1221 7.1221 7.2132 7.2132 12.0553 12.0553 12.5932 12.5932 12.6468 12.6468 12.8470 12.8470 k = 0.0489-0.0815-0.1565 ( 2349 PWs) bands (ev): -33.0071 -33.0071 -20.1304 -20.1304 -13.9485 -13.9485 -12.6505 -12.6505 -12.2899 -12.2899 -8.0547 -8.0547 -7.5993 -7.5993 -3.5105 -3.5105 -3.2637 -3.2637 -3.2231 -3.2231 4.9697 4.9697 5.9580 5.9580 5.9988 5.9988 7.0187 7.0187 7.1120 7.1120 7.2023 7.2023 12.1110 12.1110 12.5688 12.5688 12.6471 12.6471 12.8811 12.8811 k = 0.0543-0.0905-0.1739 ( 2349 PWs) bands (ev): -33.0059 -33.0059 -20.1284 -20.1284 -13.9501 -13.9501 -12.6531 -12.6531 -12.2992 -12.2992 -8.0437 -8.0437 -7.6040 -7.6040 -3.5167 -3.5167 -3.2710 -3.2710 -3.2282 -3.2282 4.9945 4.9945 5.9573 5.9573 6.0067 6.0067 6.9720 6.9720 7.1017 7.1017 7.1910 7.1910 12.1711 12.1711 12.5413 12.5413 12.6489 12.6489 12.9194 12.9194 k = 0.0597-0.0996-0.1913 ( 2351 PWs) bands (ev): -33.0046 -33.0046 -20.1262 -20.1262 -13.9518 -13.9518 -12.6560 -12.6560 -12.3090 -12.3090 -8.0318 -8.0318 -7.6092 -7.6092 -3.5236 -3.5236 -3.2792 -3.2792 -3.2334 -3.2334 5.0215 5.0215 5.9565 5.9565 6.0152 6.0152 6.9219 6.9219 7.0903 7.0903 7.1793 7.1793 12.2348 12.2348 12.5120 12.5120 12.6519 12.6519 12.9618 12.9618 k = 0.0652-0.1086-0.2087 ( 2349 PWs) bands (ev): -33.0032 -33.0032 -20.1237 -20.1237 -13.9538 -13.9538 -12.6593 -12.6593 -12.3193 -12.3193 -8.0191 -8.0191 -7.6148 -7.6148 -3.5312 -3.5312 -3.2882 -3.2882 -3.2386 -3.2386 5.0504 5.0504 5.9555 5.9555 6.0242 6.0242 6.8695 6.8695 7.0775 7.0775 7.1677 7.1677 12.3008 12.3008 12.4818 12.4818 12.6565 12.6565 13.0080 13.0080 k = 0.0706-0.1177-0.2261 ( 2343 PWs) bands (ev): -33.0017 -33.0017 -20.1211 -20.1211 -13.9560 -13.9560 -12.6628 -12.6628 -12.3300 -12.3300 -8.0057 -8.0057 -7.6207 -7.6207 -3.5394 -3.5394 -3.2978 -3.2978 -3.2439 -3.2439 5.0810 5.0810 5.9544 5.9544 6.0333 6.0333 6.8154 6.8154 7.0629 7.0629 7.1563 7.1563 12.3673 12.3673 12.4512 12.4512 12.6640 12.6640 13.0576 13.0576 k = 0.0760-0.1267-0.2435 ( 2347 PWs) bands (ev): -33.0001 -33.0001 -20.1184 -20.1184 -13.9586 -13.9586 -12.6667 -12.6667 -12.3410 -12.3410 -7.9918 -7.9918 -7.6270 -7.6270 -3.5482 -3.5482 -3.3081 -3.3081 -3.2492 -3.2492 5.1133 5.1133 5.9531 5.9531 6.0424 6.0424 6.7603 6.7603 7.0464 7.0464 7.1452 7.1452 12.4163 12.4163 12.4355 12.4355 12.6771 12.6771 13.1106 13.1106 k = 0.0814-0.1358-0.2609 ( 2345 PWs) bands (ev): -32.9984 -32.9984 -20.1155 -20.1155 -13.9614 -13.9614 -12.6708 -12.6708 -12.3522 -12.3522 -7.9773 -7.9773 -7.6336 -7.6336 -3.5575 -3.5575 -3.3188 -3.3188 -3.2547 -3.2547 5.1469 5.1469 5.9517 5.9517 6.0511 6.0511 6.7049 6.7049 7.0281 7.0281 7.1346 7.1346 12.3882 12.3882 12.4890 12.4890 12.7011 12.7011 13.1665 13.1665 k = 0.0869-0.1448-0.2783 ( 2349 PWs) bands (ev): -32.9966 -32.9966 -20.1124 -20.1124 -13.9644 -13.9644 -12.6753 -12.6753 -12.3634 -12.3634 -7.9625 -7.9625 -7.6405 -7.6405 -3.5675 -3.5675 -3.3300 -3.3300 -3.2602 -3.2602 5.1818 5.1818 5.9501 5.9501 6.0590 6.0590 6.6501 6.6501 7.0081 7.0081 7.1245 7.1245 12.3582 12.3582 12.5302 12.5302 12.7423 12.7423 13.2253 13.2253 k = 0.0923-0.1539-0.2957 ( 2349 PWs) bands (ev): -32.9948 -32.9948 -20.1092 -20.1092 -13.9678 -13.9678 -12.6801 -12.6801 -12.3747 -12.3747 -7.9473 -7.9473 -7.6477 -7.6477 -3.5780 -3.5780 -3.3414 -3.3414 -3.2659 -3.2659 5.2176 5.2176 5.9484 5.9484 6.0654 6.0654 6.5969 6.5969 6.9864 6.9864 7.1148 7.1148 12.3290 12.3290 12.5548 12.5548 12.8024 12.8024 13.2867 13.2867 k = 0.0977-0.1629-0.3131 ( 2349 PWs) bands (ev): -32.9929 -32.9929 -20.1058 -20.1058 -13.9715 -13.9715 -12.6852 -12.6852 -12.3859 -12.3859 -7.9320 -7.9320 -7.6550 -7.6550 -3.5889 -3.5889 -3.3529 -3.3529 -3.2716 -3.2716 5.2542 5.2542 5.9465 5.9465 6.0695 6.0695 6.5464 6.5464 6.9632 6.9632 7.1054 7.1054 12.3008 12.3008 12.5674 12.5674 12.8761 12.8761 13.3505 13.3505 k = 0.1032-0.1720-0.3305 ( 2349 PWs) bands (ev): -32.9909 -32.9909 -20.1024 -20.1024 -13.9756 -13.9756 -12.6906 -12.6906 -12.3970 -12.3970 -7.9165 -7.9165 -7.6625 -7.6625 -3.6004 -3.6004 -3.3647 -3.3647 -3.2776 -3.2776 5.2913 5.2913 5.9445 5.9445 6.0700 6.0700 6.5002 6.5002 6.9387 6.9387 7.0964 7.0964 12.2740 12.2740 12.5731 12.5731 12.9582 12.9582 13.4166 13.4166 k = 0.1086-0.1810-0.3479 ( 2345 PWs) bands (ev): -32.9888 -32.9888 -20.0988 -20.0988 -13.9799 -13.9799 -12.6962 -12.6962 -12.4078 -12.4078 -7.9010 -7.9010 -7.6701 -7.6701 -3.6122 -3.6122 -3.3764 -3.3764 -3.2836 -3.2836 5.3288 5.3288 5.9424 5.9424 6.0656 6.0656 6.4600 6.4600 6.9131 6.9131 7.0876 7.0876 12.2487 12.2487 12.5750 12.5750 13.0451 13.0451 13.4849 13.4849 k = 0.1140-0.1901-0.3652 ( 2343 PWs) bands (ev): -32.9867 -32.9867 -20.0952 -20.0952 -13.9846 -13.9846 -12.7021 -12.7021 -12.4184 -12.4184 -7.8856 -7.8856 -7.6777 -7.6777 -3.6244 -3.6244 -3.3882 -3.3882 -3.2898 -3.2898 5.3662 5.3662 5.9402 5.9402 6.0545 6.0545 6.4277 6.4277 6.8865 6.8865 7.0791 7.0791 12.2250 12.2250 12.5746 12.5746 13.1348 13.1348 13.5553 13.5553 k = 0.1195-0.1991-0.3826 ( 2339 PWs) bands (ev): -32.9846 -32.9846 -20.0914 -20.0914 -13.9895 -13.9895 -12.7083 -12.7083 -12.4286 -12.4286 -7.8704 -7.8704 -7.6853 -7.6853 -3.6369 -3.6369 -3.3998 -3.3998 -3.2961 -3.2961 5.4034 5.4034 5.9379 5.9379 6.0360 6.0360 6.4045 6.4045 6.8591 6.8591 7.0707 7.0707 12.2032 12.2032 12.5727 12.5727 13.2261 13.2261 13.6277 13.6277 k = 0.1249-0.2082-0.4000 ( 2343 PWs) bands (ev): -32.9824 -32.9824 -20.0876 -20.0876 -13.9948 -13.9948 -12.7146 -12.7146 -12.4385 -12.4385 -7.8554 -7.8554 -7.6928 -7.6928 -3.6496 -3.6496 -3.4114 -3.4114 -3.3026 -3.3026 5.4400 5.4400 5.9355 5.9355 6.0101 6.0101 6.3905 6.3905 6.8309 6.8309 7.0626 7.0626 12.1833 12.1833 12.5697 12.5697 13.3177 13.3177 13.7024 13.7024 k = 0.1303-0.2172-0.4174 ( 2337 PWs) bands (ev): -32.9801 -32.9801 -20.0837 -20.0837 -14.0004 -14.0004 -12.7212 -12.7212 -12.4479 -12.4479 -7.8410 -7.8410 -7.7000 -7.7000 -3.6625 -3.6625 -3.4229 -3.4229 -3.3092 -3.3092 5.4755 5.4755 5.9330 5.9330 5.9784 5.9784 6.3848 6.3848 6.8022 6.8022 7.0546 7.0546 12.1654 12.1654 12.5662 12.5662 13.4089 13.4089 13.7795 13.7795 k = 0.1357-0.2263-0.4348 ( 2333 PWs) bands (ev): -32.9779 -32.9779 -20.0798 -20.0798 -14.0062 -14.0062 -12.7279 -12.7279 -12.4570 -12.4570 -7.8271 -7.8271 -7.7069 -7.7069 -3.6755 -3.6755 -3.4341 -3.4341 -3.3160 -3.3160 5.5094 5.5094 5.9296 5.9296 5.9438 5.9438 6.3856 6.3856 6.7730 6.7730 7.0467 7.0467 12.1495 12.1495 12.5621 12.5621 13.4985 13.4985 13.8591 13.8591 k = 0.1412-0.2353-0.4522 ( 2331 PWs) bands (ev): -32.9756 -32.9756 -20.0759 -20.0759 -14.0123 -14.0123 -12.7347 -12.7347 -12.4657 -12.4657 -7.8141 -7.8141 -7.7132 -7.7132 -3.6886 -3.6886 -3.4452 -3.4452 -3.3229 -3.3229 5.5409 5.5409 5.9045 5.9045 5.9298 5.9298 6.3912 6.3912 6.7435 6.7435 7.0390 7.0390 12.1358 12.1358 12.5578 12.5578 13.5856 13.5856 13.9416 13.9416 k = 0.1466-0.2444-0.4696 ( 2337 PWs) bands (ev): -32.9733 -32.9733 -20.0719 -20.0719 -14.0186 -14.0186 -12.7416 -12.7416 -12.4740 -12.4740 -7.8023 -7.8023 -7.7184 -7.7184 -3.7016 -3.7016 -3.4561 -3.4561 -3.3299 -3.3299 5.5685 5.5685 5.8692 5.8692 5.9273 5.9273 6.4003 6.4003 6.7138 6.7138 7.0314 7.0314 12.1242 12.1242 12.5533 12.5533 13.6693 13.6693 14.0271 14.0271 k = 0.1520-0.2534-0.4870 ( 2337 PWs) bands (ev): -32.9711 -32.9711 -20.0679 -20.0679 -14.0251 -14.0251 -12.7486 -12.7486 -12.4818 -12.4818 -7.7923 -7.7923 -7.7221 -7.7221 -3.7146 -3.7146 -3.4668 -3.4668 -3.3371 -3.3371 5.5901 5.5901 5.8381 5.8381 5.9253 5.9253 6.4117 6.4117 6.6839 6.6839 7.0239 7.0239 12.1148 12.1148 12.5489 12.5489 13.7488 13.7488 14.1156 14.1156 k = 0.1575-0.2625-0.5044 ( 2335 PWs) bands (ev): -32.9688 -32.9688 -20.0639 -20.0639 -14.0317 -14.0317 -12.7556 -12.7556 -12.4893 -12.4893 -7.7850 -7.7850 -7.7235 -7.7235 -3.7274 -3.7274 -3.4773 -3.4773 -3.3444 -3.3444 5.6022 5.6022 5.8157 5.8157 5.9237 5.9237 6.4247 6.4247 6.6541 6.6541 7.0165 7.0165 12.1076 12.1076 12.5447 12.5447 13.8237 13.8237 14.2066 14.2066 k = 0.1629-0.2716-0.5218 ( 2339 PWs) bands (ev): -32.9665 -32.9665 -20.0600 -20.0600 -14.0385 -14.0385 -12.7626 -12.7626 -12.4964 -12.4964 -7.7810 -7.7810 -7.7217 -7.7217 -3.7401 -3.7401 -3.4875 -3.4875 -3.3518 -3.3518 5.6010 5.6010 5.8060 5.8060 5.9225 5.9225 6.4386 6.4386 6.6243 6.6243 7.0092 7.0092 12.1026 12.1026 12.5407 12.5407 13.8937 13.8937 14.2997 14.2997 k = 0.1683-0.2806-0.5392 ( 2339 PWs) bands (ev): -32.9642 -32.9642 -20.0560 -20.0560 -14.0453 -14.0453 -12.7695 -12.7695 -12.5031 -12.5031 -7.7803 -7.7803 -7.7168 -7.7168 -3.7524 -3.7524 -3.4976 -3.4976 -3.3593 -3.3593 5.5868 5.5868 5.8095 5.8095 5.9216 5.9216 6.4530 6.4530 6.5949 6.5949 7.0020 7.0020 12.0997 12.0997 12.5372 12.5372 13.9585 13.9585 14.3940 14.3940 k = 0.1738-0.2897-0.5566 ( 2343 PWs) bands (ev): -32.9620 -32.9620 -20.0521 -20.0521 -14.0522 -14.0522 -12.7765 -12.7765 -12.5095 -12.5095 -7.7820 -7.7820 -7.7099 -7.7099 -3.7645 -3.7645 -3.5074 -3.5074 -3.3669 -3.3669 5.5635 5.5635 5.8220 5.8220 5.9212 5.9212 6.4672 6.4672 6.5661 6.5661 6.9948 6.9948 12.0989 12.0989 12.5343 12.5343 14.0183 14.0183 14.4884 14.4884 k = 0.1792-0.2987-0.5740 ( 2343 PWs) bands (ev): -32.9598 -32.9598 -20.0483 -20.0483 -14.0591 -14.0591 -12.7834 -12.7834 -12.5155 -12.5155 -7.7851 -7.7851 -7.7018 -7.7018 -3.7763 -3.7763 -3.5169 -3.5169 -3.3746 -3.3746 5.5357 5.5357 5.8394 5.8394 5.9213 5.9213 6.4803 6.4803 6.5386 6.5386 6.9876 6.9876 12.1002 12.1002 12.5320 12.5320 14.0728 14.0728 14.5819 14.5819 k = 0.1846-0.3078-0.5913 ( 2341 PWs) bands (ev): -32.9576 -32.9576 -20.0445 -20.0445 -14.0659 -14.0659 -12.7902 -12.7902 -12.5213 -12.5213 -7.7887 -7.7887 -7.6933 -7.6933 -3.7876 -3.7876 -3.5262 -3.5262 -3.3823 -3.3823 5.5065 5.5065 5.8586 5.8586 5.9220 5.9220 6.4872 6.4872 6.5174 6.5174 6.9805 6.9805 12.1037 12.1037 12.5305 12.5305 14.1221 14.1221 14.6735 14.6735 k = 0.1900-0.3168-0.6087 ( 2339 PWs) bands (ev): -32.9555 -32.9555 -20.0407 -20.0407 -14.0727 -14.0727 -12.7969 -12.7969 -12.5267 -12.5267 -7.7924 -7.7924 -7.6848 -7.6848 -3.7985 -3.7985 -3.5354 -3.5354 -3.3902 -3.3902 5.4776 5.4776 5.8779 5.8779 5.9234 5.9234 6.4722 6.4722 6.5180 6.5180 6.9733 6.9733 12.1092 12.1092 12.5300 12.5300 14.1659 14.1659 14.7618 14.7618 k = 0.1955-0.3259-0.6261 ( 2341 PWs) bands (ev): -32.9534 -32.9534 -20.0371 -20.0371 -14.0793 -14.0793 -12.8035 -12.8035 -12.5319 -12.5319 -7.7961 -7.7961 -7.6767 -7.6767 -3.8090 -3.8090 -3.5443 -3.5443 -3.3980 -3.3980 5.4500 5.4500 5.8965 5.8965 5.9257 5.9257 6.4469 6.4469 6.5287 6.5287 6.9660 6.9660 12.1166 12.1166 12.5305 12.5305 14.2040 14.2040 14.8457 14.8457 k = 0.2009-0.3349-0.6435 ( 2347 PWs) bands (ev): -32.9514 -32.9514 -20.0336 -20.0336 -14.0858 -14.0858 -12.8101 -12.8101 -12.5369 -12.5369 -7.7994 -7.7994 -7.6689 -7.6689 -3.8190 -3.8190 -3.5530 -3.5530 -3.4060 -3.4060 5.4242 5.4242 5.9134 5.9134 5.9292 5.9292 6.4206 6.4206 6.5401 6.5401 6.9587 6.9587 12.1261 12.1261 12.5322 12.5322 14.2361 14.2361 14.9219 14.9219 k = 0.2063-0.3440-0.6609 ( 2349 PWs) bands (ev): -32.9494 -32.9494 -20.0301 -20.0301 -14.0921 -14.0921 -12.8165 -12.8165 -12.5417 -12.5417 -7.8024 -7.8024 -7.6617 -7.6617 -3.8285 -3.8285 -3.5615 -3.5615 -3.4139 -3.4139 5.4007 5.4007 5.9267 5.9267 5.9356 5.9356 6.3945 6.3945 6.5509 6.5509 6.9513 6.9513 12.1375 12.1375 12.5351 12.5351 14.2618 14.2618 14.9723 14.9723 k = 0.2118-0.3530-0.6783 ( 2351 PWs) bands (ev): -32.9475 -32.9475 -20.0268 -20.0268 -14.0981 -14.0981 -12.8228 -12.8228 -12.5462 -12.5462 -7.8048 -7.8048 -7.6551 -7.6551 -3.8374 -3.8374 -3.5697 -3.5697 -3.4218 -3.4218 5.3797 5.3797 5.9342 5.9342 5.9469 5.9469 6.3690 6.3690 6.5607 6.5607 6.9437 6.9437 12.1508 12.1508 12.5394 12.5394 14.2808 14.2808 14.9920 14.9920 k = 0.2172-0.3621-0.6957 ( 2353 PWs) bands (ev): -32.9457 -32.9457 -20.0235 -20.0235 -14.1038 -14.1038 -12.8289 -12.8289 -12.5506 -12.5506 -7.8067 -7.8067 -7.6492 -7.6492 -3.8458 -3.8458 -3.5778 -3.5778 -3.4297 -3.4297 5.3614 5.3614 5.9403 5.9403 5.9586 5.9586 6.3441 6.3441 6.5692 6.5692 6.9360 6.9360 12.1660 12.1660 12.5452 12.5452 14.2926 14.2926 15.0079 15.0079 k = 0.2226-0.3711-0.7131 ( 2353 PWs) bands (ev): -32.9439 -32.9439 -20.0204 -20.0204 -14.1093 -14.1093 -12.8350 -12.8350 -12.5548 -12.5548 -7.8081 -7.8081 -7.6439 -7.6439 -3.8537 -3.8537 -3.5857 -3.5857 -3.4375 -3.4375 5.3460 5.3460 5.9470 5.9470 5.9686 5.9686 6.3199 6.3199 6.5763 6.5763 6.9282 6.9282 12.1830 12.1830 12.5526 12.5526 14.2968 14.2968 15.0247 15.0247 k = 0.2281-0.3802-0.7305 ( 2363 PWs) bands (ev): -32.9422 -32.9422 -20.0175 -20.0175 -14.1144 -14.1144 -12.8409 -12.8409 -12.5588 -12.5588 -7.8088 -7.8088 -7.6392 -7.6392 -3.8609 -3.8609 -3.5935 -3.5935 -3.4453 -3.4453 5.3335 5.3335 5.9547 5.9547 5.9767 5.9767 6.2966 6.2966 6.5819 6.5819 6.9201 6.9201 12.2018 12.2018 12.5615 12.5615 14.2930 14.2930 15.0434 15.0434 k = 0.2335-0.3892-0.7479 ( 2363 PWs) bands (ev): -32.9406 -32.9406 -20.0146 -20.0146 -14.1192 -14.1192 -12.8466 -12.8466 -12.5627 -12.5627 -7.8088 -7.8088 -7.6353 -7.6353 -3.8676 -3.8676 -3.6010 -3.6010 -3.4529 -3.4529 5.3239 5.3239 5.9633 5.9633 5.9827 5.9827 6.2741 6.2741 6.5859 6.5859 6.9119 6.9119 12.2225 12.2225 12.5722 12.5722 14.2809 14.2809 15.0641 15.0641 k = 0.2389-0.3983-0.7653 ( 2361 PWs) bands (ev): -32.9391 -32.9391 -20.0119 -20.0119 -14.1236 -14.1236 -12.8521 -12.8521 -12.5664 -12.5664 -7.8083 -7.8083 -7.6321 -7.6321 -3.8737 -3.8737 -3.6084 -3.6084 -3.4604 -3.4604 5.3175 5.3175 5.9729 5.9729 5.9866 5.9866 6.2524 6.2524 6.5882 6.5882 6.9034 6.9034 12.2448 12.2448 12.5846 12.5846 14.2603 14.2603 15.0870 15.0870 k = 0.2443-0.4073-0.7827 ( 2363 PWs) bands (ev): -32.9376 -32.9376 -20.0094 -20.0094 -14.1277 -14.1277 -12.8575 -12.8575 -12.5700 -12.5700 -7.8070 -7.8070 -7.6296 -7.6296 -3.8791 -3.8791 -3.6156 -3.6156 -3.4678 -3.4678 5.3141 5.3141 5.9832 5.9832 5.9887 5.9887 6.2317 6.2317 6.5887 6.5887 6.8947 6.8947 12.2689 12.2689 12.5988 12.5988 14.2311 14.2311 15.1121 15.1121 k = 0.2498-0.4164-0.8001 ( 2363 PWs) bands (ev): -32.9363 -32.9363 -20.0070 -20.0070 -14.1313 -14.1313 -12.8626 -12.8626 -12.5735 -12.5735 -7.8051 -7.8051 -7.6278 -7.6278 -3.8840 -3.8840 -3.6226 -3.6226 -3.4750 -3.4750 5.3139 5.3139 5.9868 5.9868 5.9965 5.9965 6.2119 6.2119 6.5875 6.5875 6.8857 6.8857 12.2947 12.2947 12.6149 12.6149 14.1934 14.1934 15.1395 15.1395 k = 0.2552-0.4254-0.8175 ( 2361 PWs) bands (ev): -32.9350 -32.9350 -20.0047 -20.0047 -14.1346 -14.1346 -12.8675 -12.8675 -12.5769 -12.5769 -7.8025 -7.8025 -7.6267 -7.6267 -3.8883 -3.8883 -3.6294 -3.6294 -3.4819 -3.4819 5.3167 5.3167 5.9842 5.9842 6.0094 6.0094 6.1931 6.1931 6.5844 6.5844 6.8765 6.8765 12.3222 12.3222 12.6327 12.6327 14.1475 14.1475 15.1692 15.1692 k = 0.2606-0.4345-0.8348 ( 2363 PWs) bands (ev): -32.9338 -32.9338 -20.0027 -20.0027 -14.1375 -14.1375 -12.8722 -12.8722 -12.5801 -12.5801 -7.7993 -7.7993 -7.6263 -7.6263 -3.8920 -3.8920 -3.6361 -3.6361 -3.4886 -3.4886 5.3226 5.3226 5.9792 5.9792 6.0236 6.0236 6.1751 6.1751 6.5795 6.5795 6.8670 6.8670 12.3514 12.3514 12.6524 12.6524 14.0935 14.0935 15.2013 15.2013 k = 0.2661-0.4435-0.8522 ( 2363 PWs) bands (ev): -32.9328 -32.9328 -20.0008 -20.0008 -14.1401 -14.1401 -12.8766 -12.8766 -12.5832 -12.5832 -7.7955 -7.7955 -7.6266 -7.6266 -3.8951 -3.8951 -3.6425 -3.6425 -3.4950 -3.4950 5.3316 5.3316 5.9719 5.9719 6.0390 6.0390 6.1582 6.1582 6.5728 6.5728 6.8572 6.8572 12.3822 12.3822 12.6740 12.6740 14.0319 14.0319 15.2358 15.2358 k = 0.2715-0.4526-0.8696 ( 2361 PWs) bands (ev): -32.9318 -32.9318 -19.9990 -19.9990 -14.1423 -14.1423 -12.8808 -12.8808 -12.5862 -12.5862 -7.7910 -7.7910 -7.6276 -7.6276 -3.8976 -3.8976 -3.6488 -3.6488 -3.5011 -3.5011 5.3436 5.3436 5.9625 5.9625 6.0556 6.0556 6.1423 6.1423 6.5643 6.5643 6.8472 6.8472 12.4147 12.4147 12.6973 12.6973 13.9632 13.9632 15.2726 15.2726 k = 0.2769-0.4616-0.8870 ( 2363 PWs) bands (ev): -32.9309 -32.9309 -19.9974 -19.9974 -14.1442 -14.1442 -12.8846 -12.8846 -12.5891 -12.5891 -7.7860 -7.7860 -7.6293 -7.6293 -3.8997 -3.8997 -3.6548 -3.6548 -3.5068 -3.5068 5.3586 5.3586 5.9510 5.9510 6.0732 6.0732 6.1274 6.1274 6.5540 6.5540 6.8370 6.8370 12.4489 12.4489 12.7223 12.7223 13.8881 13.8881 15.3117 15.3117 k = 0.2824-0.4707-0.9044 ( 2359 PWs) bands (ev): -32.9300 -32.9300 -19.9960 -19.9960 -14.1457 -14.1457 -12.8882 -12.8882 -12.5918 -12.5918 -7.7804 -7.7804 -7.6317 -7.6317 -3.9012 -3.9012 -3.6606 -3.6606 -3.5122 -3.5122 5.3765 5.3765 5.9373 5.9373 6.0914 6.0914 6.1140 6.1140 6.5421 6.5421 6.8264 6.8264 12.4847 12.4847 12.7490 12.7490 13.8072 13.8072 15.3531 15.3531 k = 0.2878-0.4797-0.9218 ( 2359 PWs) bands (ev): -32.9293 -32.9293 -19.9947 -19.9947 -14.1469 -14.1469 -12.8914 -12.8914 -12.5944 -12.5944 -7.7743 -7.7743 -7.6347 -7.6347 -3.9023 -3.9023 -3.6661 -3.6661 -3.5172 -3.5172 5.3973 5.3973 5.9217 5.9217 6.0976 6.0976 6.1146 6.1146 6.5285 6.5285 6.8157 6.8157 12.5222 12.5222 12.7772 12.7772 13.7212 13.7212 15.3968 15.3968 k = 0.2932-0.4888-0.9392 ( 2359 PWs) bands (ev): -32.9287 -32.9287 -19.9936 -19.9936 -14.1479 -14.1479 -12.8942 -12.8942 -12.5968 -12.5968 -7.7678 -7.7678 -7.6382 -7.6382 -3.9030 -3.9030 -3.6713 -3.6713 -3.5217 -3.5217 5.4207 5.4207 5.9041 5.9041 6.0865 6.0865 6.1344 6.1344 6.5134 6.5134 6.8047 6.8047 12.5614 12.5614 12.8068 12.8068 13.6308 13.6308 15.4424 15.4424 k = 0.2986-0.4978-0.9566 ( 2359 PWs) bands (ev): -32.9282 -32.9282 -19.9926 -19.9926 -14.1487 -14.1487 -12.8967 -12.8967 -12.5990 -12.5990 -7.7609 -7.7609 -7.6424 -7.6424 -3.9033 -3.9033 -3.6761 -3.6761 -3.5257 -3.5257 5.4466 5.4466 5.8847 5.8847 6.0753 6.0753 6.1562 6.1562 6.4969 6.4969 6.7936 6.7936 12.6022 12.6022 12.8373 12.8373 13.5370 13.5370 15.4900 15.4900 k = 0.3041-0.5069-0.9740 ( 2353 PWs) bands (ev): -32.9277 -32.9277 -19.9918 -19.9918 -14.1492 -14.1492 -12.8989 -12.8989 -12.6009 -12.6009 -7.7538 -7.7538 -7.6470 -7.6470 -3.9033 -3.9033 -3.6805 -3.6805 -3.5293 -3.5293 5.4749 5.4749 5.8638 5.8638 6.0649 6.0649 6.1791 6.1791 6.4791 6.4791 6.7823 6.7823 12.6447 12.6447 12.8685 12.8685 13.4407 13.4407 15.5388 15.5388 k = 0.3095-0.5159-0.9914 ( 2357 PWs) bands (ev): -32.9273 -32.9273 -19.9911 -19.9911 -14.1496 -14.1496 -12.9006 -12.9006 -12.6027 -12.6027 -7.7466 -7.7466 -7.6519 -7.6519 -3.9031 -3.9031 -3.6844 -3.6844 -3.5324 -3.5324 5.5051 5.5051 5.8415 5.8415 6.0552 6.0552 6.2029 6.2029 6.4601 6.4601 6.7709 6.7709 12.6889 12.6889 12.8991 12.8991 13.3436 13.3436 15.5877 15.5877 k = 0.3149-0.5250-1.0088 ( 2353 PWs) bands (ev): -32.9270 -32.9270 -19.9906 -19.9906 -14.1499 -14.1499 -12.9020 -12.9020 -12.6041 -12.6041 -7.7395 -7.7395 -7.6569 -7.6569 -3.9027 -3.9027 -3.6877 -3.6877 -3.5349 -3.5349 5.5367 5.5367 5.8185 5.8185 6.0464 6.0464 6.2275 6.2275 6.4401 6.4401 6.7594 6.7594 12.7347 12.7347 12.9268 12.9268 13.2486 13.2486 15.6331 15.6331 k = 0.3204-0.5340-1.0262 ( 2353 PWs) bands (ev): -32.9268 -32.9268 -19.9902 -19.9902 -14.1500 -14.1500 -12.9030 -12.9030 -12.6053 -12.6053 -7.7331 -7.7331 -7.6617 -7.6617 -3.9023 -3.9023 -3.6904 -3.6904 -3.5370 -3.5370 5.5685 5.5685 5.7959 5.7959 6.0383 6.0383 6.2528 6.2528 6.4193 6.4193 6.7480 6.7480 12.7820 12.7820 12.9435 12.9435 13.1643 13.1643 15.6679 15.6679 k = 0.3258-0.5431-1.0436 ( 2361 PWs) bands (ev): -32.9267 -32.9267 -19.9900 -19.9900 -14.1501 -14.1501 -12.9037 -12.9037 -12.6061 -12.6061 -7.7278 -7.7278 -7.6656 -7.6656 -3.9020 -3.9020 -3.6924 -3.6924 -3.5385 -3.5385 5.5979 5.5979 5.7762 5.7762 6.0310 6.0310 6.2785 6.2785 6.3979 6.3979 6.7365 6.7365 12.8299 12.8299 12.9269 12.9269 13.1143 13.1143 15.6920 15.6920 k = 0.3312-0.5522-1.0610 ( 2363 PWs) bands (ev): -32.9266 -32.9266 -19.9899 -19.9899 -14.1502 -14.1502 -12.9041 -12.9041 -12.6065 -12.6065 -7.7247 -7.7247 -7.6677 -7.6677 -3.9018 -3.9018 -3.6936 -3.6936 -3.5394 -3.5394 5.6190 5.6190 5.7653 5.7653 6.0245 6.0245 6.3043 6.3043 6.3762 6.3762 6.7252 6.7252 12.8471 12.8471 12.8929 12.8929 13.1142 13.1142 15.7106 15.7106 k = 0.3366-0.5612-1.0783 ( 2363 PWs) bands (ev): -32.9266 -32.9266 -19.9899 -19.9899 -14.1502 -14.1502 -12.9041 -12.9041 -12.6064 -12.6064 -7.7247 -7.7247 -7.6670 -7.6670 -3.9018 -3.9018 -3.6940 -3.6940 -3.5399 -3.5399 5.6229 5.6229 5.7720 5.7720 6.0186 6.0186 6.3283 6.3283 6.3562 6.3562 6.7141 6.7141 12.7607 12.7607 12.9392 12.9392 13.1397 13.1397 15.7239 15.7239 k = 0.3421-0.5703-1.0957 ( 2367 PWs) bands (ev): -32.9267 -32.9267 -19.9900 -19.9900 -14.1503 -14.1503 -12.9039 -12.9039 -12.6060 -12.6060 -7.7282 -7.7282 -7.6632 -7.6632 -3.9022 -3.9022 -3.6934 -3.6934 -3.5397 -3.5397 5.6082 5.6082 5.7977 5.7977 6.0135 6.0135 6.3264 6.3264 6.3620 6.3620 6.7034 6.7034 12.6603 12.6603 12.9932 12.9932 13.1740 13.1740 15.7264 15.7264 k = 0.6579-0.4318-1.0117 ( 2367 PWs) bands (ev): -32.9267 -32.9267 -19.9900 -19.9900 -14.1503 -14.1503 -12.9039 -12.9039 -12.6060 -12.6060 -7.7282 -7.7282 -7.6632 -7.6632 -3.9022 -3.9022 -3.6934 -3.6934 -3.5397 -3.5397 5.6082 5.6082 5.7977 5.7977 6.0135 6.0135 6.3264 6.3264 6.3620 6.3620 6.7034 6.7034 12.6603 12.6603 12.9932 12.9932 13.1740 13.1740 15.7264 15.7264 k = 0.6525-0.4121-1.0117 ( 2363 PWs) bands (ev): -32.9268 -32.9268 -19.9902 -19.9902 -14.1504 -14.1504 -12.9034 -12.9034 -12.6050 -12.6050 -7.7344 -7.7344 -7.6571 -7.6571 -3.9029 -3.9029 -3.6919 -3.6919 -3.5390 -3.5390 5.5822 5.5822 5.8350 5.8350 6.0091 6.0091 6.3051 6.3051 6.3869 6.3869 6.6932 6.6932 12.5563 12.5563 13.0497 13.0497 13.2122 13.2122 15.7200 15.7200 k = 0.6470-0.3925-1.0117 ( 2357 PWs) bands (ev): -32.9270 -32.9270 -19.9906 -19.9906 -14.1506 -14.1506 -12.9027 -12.9027 -12.6034 -12.6034 -7.7425 -7.7425 -7.6494 -7.6494 -3.9040 -3.9040 -3.6894 -3.6894 -3.5377 -3.5377 5.5503 5.5503 5.8783 5.8783 6.0055 6.0055 6.2828 6.2828 6.4126 6.4126 6.6840 6.6840 12.4513 12.4513 13.1082 13.1082 13.2521 13.2521 15.7086 15.7086 k = 0.6416-0.3728-1.0117 ( 2355 PWs) bands (ev): -32.9273 -32.9273 -19.9910 -19.9910 -14.1509 -14.1509 -12.9019 -12.9019 -12.6013 -12.6013 -7.7520 -7.7520 -7.6409 -7.6409 -3.9055 -3.9055 -3.6860 -3.6860 -3.5359 -3.5359 5.5151 5.5151 5.9245 5.9245 6.0028 6.0028 6.2608 6.2608 6.4375 6.4375 6.6760 6.6760 12.3465 12.3465 13.1685 13.1685 13.2931 13.2931 15.6933 15.6933 k = 0.6361-0.3531-1.0117 ( 2357 PWs) bands (ev): -32.9276 -32.9276 -19.9915 -19.9915 -14.1513 -14.1513 -12.9010 -12.9010 -12.5986 -12.5986 -7.7624 -7.7624 -7.6318 -7.6318 -3.9075 -3.9075 -3.6817 -3.6817 -3.5336 -3.5336 5.4778 5.4778 5.9700 5.9700 6.0030 6.0030 6.2397 6.2397 6.4607 6.4607 6.6699 6.6699 12.2425 12.2425 13.2306 13.2306 13.3346 13.3346 15.6744 15.6744 k = 0.6307-0.3335-1.0117 ( 2357 PWs) bands (ev): -32.9279 -32.9279 -19.9920 -19.9920 -14.1518 -14.1518 -12.9000 -12.9000 -12.5953 -12.5953 -7.7735 -7.7735 -7.6224 -7.6224 -3.9099 -3.9099 -3.6766 -3.6766 -3.5307 -3.5307 5.4391 5.4391 5.9917 5.9917 6.0278 6.0278 6.2205 6.2205 6.4813 6.4813 6.6666 6.6666 12.1398 12.1398 13.2943 13.2943 13.3765 13.3765 15.6522 15.6522 k = 0.6252-0.3138-1.0117 ( 2353 PWs) bands (ev): -32.9283 -32.9283 -19.9927 -19.9927 -14.1524 -14.1524 -12.8990 -12.8990 -12.5914 -12.5914 -7.7851 -7.7851 -7.6129 -7.6129 -3.9127 -3.9127 -3.6708 -3.6708 -3.5273 -3.5273 5.3995 5.3995 5.9924 5.9924 6.0709 6.0709 6.2062 6.2062 6.4980 6.4980 6.6673 6.6673 12.0386 12.0386 13.3592 13.3592 13.4189 13.4189 15.6270 15.6270 k = 0.6198-0.2941-1.0117 ( 2359 PWs) bands (ev): -32.9287 -32.9287 -19.9934 -19.9934 -14.1531 -14.1531 -12.8981 -12.8981 -12.5868 -12.5868 -7.7971 -7.7971 -7.6033 -7.6033 -3.9158 -3.9158 -3.6645 -3.6645 -3.5234 -3.5234 5.3593 5.3593 5.9917 5.9917 6.1038 6.1038 6.2056 6.2056 6.5096 6.5096 6.6729 6.6729 11.9393 11.9393 13.4237 13.4237 13.4630 13.4630 15.5989 15.5989 k = 0.6144-0.2745-1.0117 ( 2359 PWs) bands (ev): -32.9291 -32.9291 -19.9941 -19.9941 -14.1540 -14.1540 -12.8972 -12.8972 -12.5816 -12.5816 -7.8094 -7.8094 -7.5939 -7.5939 -3.9192 -3.9192 -3.6576 -3.6576 -3.5190 -3.5190 5.3187 5.3187 5.9910 5.9910 6.1119 6.1119 6.2314 6.2314 6.5159 6.5159 6.6840 6.6840 11.8421 11.8421 13.4818 13.4818 13.5148 13.5148 15.5683 15.5683 k = 0.6089-0.2548-1.0117 ( 2357 PWs) bands (ev): -32.9295 -32.9295 -19.9949 -19.9949 -14.1550 -14.1550 -12.8964 -12.8964 -12.5759 -12.5759 -7.8218 -7.8218 -7.5846 -7.5846 -3.9228 -3.9228 -3.6503 -3.6503 -3.5141 -3.5141 5.2781 5.2781 5.9905 5.9905 6.1024 6.1024 6.2760 6.2760 6.5173 6.5173 6.6997 6.6997 11.7474 11.7474 13.5278 13.5278 13.5796 13.5796 15.5355 15.5355 k = 0.6035-0.2352-1.0117 ( 2355 PWs) bands (ev): -32.9300 -32.9300 -19.9957 -19.9957 -14.1561 -14.1561 -12.8957 -12.8957 -12.5696 -12.5696 -7.8343 -7.8343 -7.5755 -7.5755 -3.9265 -3.9265 -3.6429 -3.6429 -3.5087 -3.5087 5.2376 5.2376 5.9904 5.9904 6.0872 6.0872 6.3272 6.3272 6.5152 6.5152 6.7188 6.7188 11.6552 11.6552 13.5679 13.5679 13.6510 13.6510 15.5009 15.5009 k = 0.5980-0.2155-1.0117 ( 2353 PWs) bands (ev): -32.9305 -32.9305 -19.9965 -19.9965 -14.1573 -14.1573 -12.8952 -12.8952 -12.5628 -12.5628 -7.8469 -7.8469 -7.5666 -7.5666 -3.9303 -3.9303 -3.6353 -3.6353 -3.5030 -3.5030 5.1976 5.1976 5.9904 5.9904 6.0703 6.0703 6.3804 6.3804 6.5110 6.5110 6.7401 6.7401 11.5658 11.5658 13.6055 13.6055 13.7255 13.7255 15.4648 15.4648 k = 0.5926-0.1958-1.0117 ( 2353 PWs) bands (ev): -32.9309 -32.9309 -19.9974 -19.9974 -14.1585 -14.1585 -12.8947 -12.8947 -12.5556 -12.5556 -7.8594 -7.8594 -7.5581 -7.5581 -3.9342 -3.9342 -3.6277 -3.6277 -3.4969 -3.4969 5.1583 5.1583 5.9907 5.9907 6.0533 6.0533 6.4332 6.4332 6.5063 6.5063 6.7625 6.7625 11.4795 11.4795 13.6412 13.6412 13.8022 13.8022 15.4276 15.4276 k = 0.5871-0.1762-1.0117 ( 2353 PWs) bands (ev): -32.9314 -32.9314 -19.9982 -19.9982 -14.1599 -14.1599 -12.8945 -12.8945 -12.5481 -12.5481 -7.8717 -7.8717 -7.5499 -7.5499 -3.9381 -3.9381 -3.6202 -3.6202 -3.4905 -3.4905 5.1199 5.1199 5.9910 5.9910 6.0367 6.0367 6.4767 6.4767 6.5100 6.5100 6.7853 6.7853 11.3963 11.3963 13.6751 13.6751 13.8807 13.8807 15.3897 15.3897 k = 0.5817-0.1565-1.0117 ( 2351 PWs) bands (ev): -32.9319 -32.9319 -19.9990 -19.9990 -14.1613 -14.1613 -12.8943 -12.8943 -12.5404 -12.5404 -7.8838 -7.8838 -7.5420 -7.5420 -3.9419 -3.9419 -3.6129 -3.6129 -3.4838 -3.4838 5.0826 5.0826 5.9912 5.9912 6.0211 6.0211 6.4827 6.4827 6.5499 6.5499 6.8081 6.8081 11.3165 11.3165 13.7072 13.7072 13.9609 13.9609 15.3516 15.3516 k = 0.5762-0.1368-1.0117 ( 2349 PWs) bands (ev): -32.9324 -32.9324 -19.9999 -19.9999 -14.1627 -14.1627 -12.8943 -12.8943 -12.5325 -12.5325 -7.8956 -7.8956 -7.5345 -7.5345 -3.9457 -3.9457 -3.6059 -3.6059 -3.4770 -3.4770 5.0466 5.0466 5.9901 5.9901 6.0077 6.0077 6.4768 6.4768 6.6006 6.6006 6.8306 6.8306 11.2403 11.2403 13.7373 13.7373 14.0425 14.0425 15.3137 15.3137 k = 0.5708-0.1172-1.0117 ( 2349 PWs) bands (ev): -32.9328 -32.9328 -20.0007 -20.0007 -14.1641 -14.1641 -12.8944 -12.8944 -12.5246 -12.5246 -7.9069 -7.9069 -7.5275 -7.5275 -3.9493 -3.9493 -3.5992 -3.5992 -3.4701 -3.4701 5.0121 5.0121 5.9838 5.9838 6.0004 6.0004 6.4694 6.4694 6.6510 6.6510 6.8524 6.8524 11.1679 11.1679 13.7654 13.7654 14.1254 14.1254 15.2763 15.2763 k = 0.5653-0.0975-1.0117 ( 2344 PWs) bands (ev): -32.9333 -32.9333 -20.0014 -20.0014 -14.1656 -14.1656 -12.8946 -12.8946 -12.5167 -12.5167 -7.9178 -7.9178 -7.5209 -7.5209 -3.9528 -3.9528 -3.5928 -3.5928 -3.4631 -3.4631 4.9794 4.9794 5.9725 5.9725 5.9991 5.9991 6.4619 6.4619 6.6999 6.6999 6.8734 6.8734 11.0995 11.0995 13.7915 13.7915 14.2093 14.2093 15.2399 15.2399 k = 0.5599-0.0778-1.0117 ( 2342 PWs) bands (ev): -32.9337 -32.9337 -20.0022 -20.0022 -14.1670 -14.1670 -12.8948 -12.8948 -12.5090 -12.5090 -7.9282 -7.9282 -7.5147 -7.5147 -3.9560 -3.9560 -3.5869 -3.5869 -3.4563 -3.4563 4.9486 4.9486 5.9605 5.9605 5.9997 5.9997 6.4545 6.4545 6.7466 6.7466 6.8936 6.8936 11.0354 11.0354 13.8155 13.8155 14.2940 14.2940 15.2049 15.2049 k = 0.5545-0.0582-1.0117 ( 2344 PWs) bands (ev): -32.9341 -32.9341 -20.0029 -20.0029 -14.1683 -14.1683 -12.8951 -12.8951 -12.5016 -12.5016 -7.9379 -7.9379 -7.5090 -7.5090 -3.9591 -3.9591 -3.5814 -3.5814 -3.4497 -3.4497 4.9198 4.9198 5.9490 5.9490 6.0007 6.0007 6.4475 6.4475 6.7905 6.7905 6.9128 6.9128 10.9758 10.9758 13.8373 13.8373 14.3789 14.3789 15.1717 15.1717 k = 0.5490-0.0385-1.0117 ( 2342 PWs) bands (ev): -32.9345 -32.9345 -20.0035 -20.0035 -14.1696 -14.1696 -12.8954 -12.8954 -12.4945 -12.4945 -7.9470 -7.9470 -7.5038 -7.5038 -3.9619 -3.9619 -3.5764 -3.5764 -3.4434 -3.4434 4.8933 4.8933 5.9384 5.9384 6.0019 6.0019 6.4408 6.4408 6.8309 6.8309 6.9313 6.9313 10.9208 10.9208 13.8569 13.8569 14.4637 14.4637 15.1406 15.1406 k = 0.5436-0.0188-1.0117 ( 2344 PWs) bands (ev): -32.9348 -32.9348 -20.0041 -20.0041 -14.1708 -14.1708 -12.8958 -12.8958 -12.4879 -12.4879 -7.9553 -7.9553 -7.4992 -7.4992 -3.9645 -3.9645 -3.5719 -3.5719 -3.4374 -3.4374 4.8692 4.8692 5.9287 5.9287 6.0031 6.0031 6.4347 6.4347 6.8673 6.8673 6.9491 6.9491 10.8708 10.8708 13.8744 13.8744 14.5475 14.5475 15.1119 15.1119 k = 0.5381 0.0008-1.0117 ( 2342 PWs) bands (ev): -32.9351 -32.9351 -20.0047 -20.0047 -14.1719 -14.1719 -12.8962 -12.8962 -12.4819 -12.4819 -7.9628 -7.9628 -7.4950 -7.4950 -3.9669 -3.9669 -3.5679 -3.5679 -3.4319 -3.4319 4.8476 4.8476 5.9202 5.9202 6.0043 6.0043 6.4291 6.4291 6.8987 6.8987 6.9667 6.9667 10.8260 10.8260 13.8897 13.8897 14.6294 14.6294 15.0862 15.0862 k = 0.5327 0.0205-1.0117 ( 2336 PWs) bands (ev): -32.9354 -32.9354 -20.0051 -20.0051 -14.1729 -14.1729 -12.8965 -12.8965 -12.4764 -12.4764 -7.9694 -7.9694 -7.4914 -7.4914 -3.9689 -3.9689 -3.5643 -3.5643 -3.4270 -3.4270 4.8286 4.8286 5.9127 5.9127 6.0054 6.0054 6.4242 6.4242 6.9245 6.9245 6.9843 6.9843 10.7866 10.7866 13.9029 13.9029 14.7081 14.7081 15.0637 15.0637 k = 0.5272 0.0401-1.0117 ( 2332 PWs) bands (ev): -32.9356 -32.9356 -20.0055 -20.0055 -14.1738 -14.1738 -12.8968 -12.8968 -12.4717 -12.4717 -7.9750 -7.9750 -7.4883 -7.4883 -3.9706 -3.9706 -3.5613 -3.5613 -3.4227 -3.4227 4.8124 4.8124 5.9063 5.9063 6.0065 6.0065 6.4199 6.4199 6.9444 6.9444 7.0019 7.0019 10.7528 10.7528 13.9139 13.9139 14.7815 14.7815 15.0450 15.0450 k = 0.5218 0.0598-1.0117 ( 2346 PWs) bands (ev): -32.9358 -32.9358 -20.0059 -20.0059 -14.1745 -14.1745 -12.8971 -12.8971 -12.4678 -12.4678 -7.9797 -7.9797 -7.4858 -7.4858 -3.9721 -3.9721 -3.5589 -3.5589 -3.4191 -3.4191 4.7990 4.7990 5.9011 5.9011 6.0073 6.0073 6.4164 6.4164 6.9590 6.9590 7.0185 7.0185 10.7248 10.7248 13.9229 13.9229 14.8470 14.8470 15.0308 15.0308 k = 0.5163 0.0795-1.0117 ( 2352 PWs) bands (ev): -32.9360 -32.9360 -20.0062 -20.0062 -14.1751 -14.1751 -12.8973 -12.8973 -12.4647 -12.4647 -7.9834 -7.9834 -7.4839 -7.4839 -3.9732 -3.9732 -3.5570 -3.5570 -3.4163 -3.4163 4.7885 4.7885 5.8970 5.8970 6.0080 6.0080 6.4136 6.4136 6.9693 6.9693 7.0327 7.0327 10.7028 10.7028 13.9298 13.9298 14.9004 14.9004 15.0228 15.0228 k = 0.5109 0.0991-1.0117 ( 2350 PWs) bands (ev): -32.9361 -32.9361 -20.0064 -20.0064 -14.1755 -14.1755 -12.8975 -12.8975 -12.4624 -12.4624 -7.9861 -7.9861 -7.4825 -7.4825 -3.9740 -3.9740 -3.5557 -3.5557 -3.4142 -3.4142 4.7809 4.7809 5.8941 5.8941 6.0086 6.0086 6.4115 6.4115 6.9762 6.9762 7.0436 7.0436 10.6870 10.6870 13.9347 13.9347 14.9361 14.9361 15.0232 15.0232 k = 0.5054 0.1188-1.0117 ( 2352 PWs) bands (ev): -32.9362 -32.9362 -20.0065 -20.0065 -14.1758 -14.1758 -12.8976 -12.8976 -12.4610 -12.4610 -7.9877 -7.9877 -7.4816 -7.4816 -3.9745 -3.9745 -3.5548 -3.5548 -3.4130 -3.4130 4.7764 4.7764 5.8923 5.8923 6.0089 6.0089 6.4103 6.4103 6.9802 6.9802 7.0503 7.0503 10.6775 10.6775 13.9377 13.9377 14.9525 14.9525 15.0303 15.0303 k = 0.5000 0.1385-1.0117 ( 2360 PWs) bands (ev): -32.9362 -32.9362 -20.0065 -20.0065 -14.1759 -14.1759 -12.8976 -12.8976 -12.4606 -12.4606 -7.9882 -7.9882 -7.4813 -7.4813 -3.9747 -3.9747 -3.5546 -3.5546 -3.4126 -3.4126 4.7749 4.7749 5.8918 5.8918 6.0090 6.0090 6.4099 6.4099 6.9815 6.9815 7.0526 7.0526 10.6743 10.6743 13.9386 13.9386 14.9564 14.9564 15.0345 15.0345 k = 0.5000 0.1385-1.0117 ( 2360 PWs) bands (ev): -32.9362 -32.9362 -20.0065 -20.0065 -14.1759 -14.1759 -12.8976 -12.8976 -12.4606 -12.4606 -7.9882 -7.9882 -7.4813 -7.4813 -3.9747 -3.9747 -3.5546 -3.5546 -3.4126 -3.4126 4.7749 4.7749 5.8918 5.8918 6.0090 6.0090 6.4099 6.4099 6.9815 6.9815 7.0526 7.0526 10.6743 10.6743 13.9386 13.9386 14.9564 14.9564 15.0345 15.0345 k = 0.5175 0.1433-1.0024 ( 2351 PWs) bands (ev): -32.9362 -32.9362 -20.0065 -20.0065 -14.1758 -14.1758 -12.8976 -12.8976 -12.4606 -12.4606 -7.9888 -7.9888 -7.4807 -7.4807 -3.9748 -3.9748 -3.5546 -3.5546 -3.4126 -3.4126 4.7762 4.7762 5.8927 5.8927 6.0094 6.0094 6.4085 6.4085 6.9808 6.9808 7.0520 7.0520 10.6755 10.6755 13.9388 13.9388 14.9563 14.9563 15.0344 15.0344 k = 0.5351 0.1482-0.9930 ( 2355 PWs) bands (ev): -32.9362 -32.9362 -20.0066 -20.0066 -14.1757 -14.1757 -12.8975 -12.8975 -12.4606 -12.4606 -7.9904 -7.9904 -7.4788 -7.4788 -3.9753 -3.9753 -3.5548 -3.5548 -3.4126 -3.4126 4.7800 4.7800 5.8953 5.8953 6.0106 6.0106 6.4042 6.4042 6.9786 6.9786 7.0505 7.0505 10.6790 10.6790 13.9394 13.9394 14.9559 14.9559 15.0339 15.0339 k = 0.5526 0.1530-0.9837 ( 2356 PWs) bands (ev): -32.9362 -32.9362 -20.0067 -20.0067 -14.1755 -14.1755 -12.8973 -12.8973 -12.4606 -12.4606 -7.9930 -7.9930 -7.4756 -7.4756 -3.9759 -3.9759 -3.5550 -3.5550 -3.4128 -3.4128 4.7864 4.7864 5.8998 5.8998 6.0127 6.0127 6.3970 6.3970 6.9749 6.9749 7.0479 7.0479 10.6849 10.6849 13.9403 13.9403 14.9552 14.9552 15.0331 15.0331 k = 0.5702 0.1579-0.9744 ( 2350 PWs) bands (ev): -32.9363 -32.9363 -20.0067 -20.0067 -14.1752 -14.1752 -12.8971 -12.8971 -12.4606 -12.4606 -7.9966 -7.9966 -7.4713 -7.4713 -3.9768 -3.9768 -3.5553 -3.5553 -3.4129 -3.4129 4.7953 4.7953 5.9060 5.9060 6.0155 6.0155 6.3871 6.3871 6.9698 6.9698 7.0444 7.0444 10.6930 10.6930 13.9416 13.9416 14.9542 14.9542 15.0319 15.0319 k = 0.5877 0.1628-0.9650 ( 2350 PWs) bands (ev): -32.9364 -32.9364 -20.0069 -20.0069 -14.1749 -14.1749 -12.8968 -12.8968 -12.4606 -12.4606 -8.0010 -8.0010 -7.4660 -7.4660 -3.9779 -3.9779 -3.5557 -3.5557 -3.4131 -3.4131 4.8066 4.8066 5.9139 5.9139 6.0191 6.0191 6.3745 6.3745 6.9633 6.9633 7.0400 7.0400 10.7034 10.7034 13.9433 13.9433 14.9530 14.9530 15.0304 15.0304 k = 0.6053 0.1676-0.9557 ( 2348 PWs) bands (ev): -32.9364 -32.9364 -20.0070 -20.0070 -14.1745 -14.1745 -12.8965 -12.8965 -12.4606 -12.4606 -8.0062 -8.0062 -7.4599 -7.4599 -3.9792 -3.9792 -3.5562 -3.5562 -3.4133 -3.4133 4.8202 4.8202 5.9235 5.9235 6.0235 6.0235 6.3592 6.3592 6.9554 6.9554 7.0346 7.0346 10.7159 10.7159 13.9454 13.9454 14.9513 14.9513 15.0285 15.0285 k = 0.6228 0.1725-0.9463 ( 2344 PWs) bands (ev): -32.9365 -32.9365 -20.0071 -20.0071 -14.1740 -14.1740 -12.8960 -12.8960 -12.4607 -12.4607 -8.0119 -8.0119 -7.4530 -7.4530 -3.9807 -3.9807 -3.5567 -3.5567 -3.4135 -3.4135 4.8361 4.8361 5.9348 5.9348 6.0286 6.0286 6.3414 6.3414 6.9460 6.9460 7.0285 7.0285 10.7306 10.7306 13.9480 13.9480 14.9494 14.9494 15.0262 15.0262 k = 0.6404 0.1773-0.9370 ( 2344 PWs) bands (ev): -32.9366 -32.9366 -20.0073 -20.0073 -14.1734 -14.1734 -12.8956 -12.8956 -12.4607 -12.4607 -8.0180 -8.0180 -7.4456 -7.4456 -3.9822 -3.9822 -3.5573 -3.5573 -3.4138 -3.4138 4.8540 4.8540 5.9476 5.9476 6.0344 6.0344 6.3213 6.3213 6.9354 6.9354 7.0217 7.0217 10.7471 10.7471 13.9510 13.9510 14.9470 14.9470 15.0236 15.0236 k = 0.6579 0.1822-0.9277 ( 2341 PWs) bands (ev): -32.9367 -32.9367 -20.0075 -20.0075 -14.1728 -14.1728 -12.8951 -12.8951 -12.4607 -12.4607 -8.0245 -8.0245 -7.4378 -7.4378 -3.9838 -3.9838 -3.5580 -3.5580 -3.4141 -3.4141 4.8740 4.8740 5.9619 5.9619 6.0408 6.0408 6.2989 6.2989 6.9234 6.9234 7.0141 7.0141 10.7656 10.7656 13.9546 13.9546 14.9441 14.9441 15.0205 15.0205 k = 0.6579 0.1822-0.9277 ( 2341 PWs) bands (ev): -32.9367 -32.9367 -20.0075 -20.0075 -14.1728 -14.1728 -12.8951 -12.8951 -12.4607 -12.4607 -8.0245 -8.0245 -7.4378 -7.4378 -3.9838 -3.9838 -3.5580 -3.5580 -3.4141 -3.4141 4.8740 4.8740 5.9619 5.9619 6.0408 6.0408 6.2989 6.2989 6.9234 6.9234 7.0141 7.0141 10.7656 10.7656 13.9546 13.9546 14.9441 14.9441 15.0205 15.0205 k = 0.6548 0.1813-0.9074 ( 2335 PWs) bands (ev): -32.9372 -32.9372 -20.0083 -20.0083 -14.1706 -14.1706 -12.8935 -12.8935 -12.4612 -12.4612 -8.0209 -8.0209 -7.4414 -7.4414 -3.9819 -3.9819 -3.5564 -3.5564 -3.4128 -3.4128 4.8819 4.8819 5.9728 5.9728 6.0397 6.0397 6.2787 6.2787 6.9319 6.9319 7.0178 7.0178 10.7655 10.7655 13.9442 13.9442 14.9197 14.9197 14.9957 14.9957 k = 0.6516 0.1804-0.8872 ( 2339 PWs) bands (ev): -32.9377 -32.9377 -20.0094 -20.0094 -14.1678 -14.1678 -12.8916 -12.8916 -12.4618 -12.4618 -8.0164 -8.0164 -7.4460 -7.4460 -3.9791 -3.9791 -3.5546 -3.5546 -3.4111 -3.4111 4.8919 4.8919 5.9839 5.9839 6.0392 6.0392 6.2581 6.2581 6.9396 6.9396 7.0210 7.0210 10.7681 10.7681 13.9288 13.9288 14.8909 14.8909 14.9675 14.9675 k = 0.6484 0.1796-0.8670 ( 2339 PWs) bands (ev): -32.9384 -32.9384 -20.0106 -20.0106 -14.1644 -14.1644 -12.8892 -12.8892 -12.4624 -12.4624 -8.0111 -8.0111 -7.4515 -7.4515 -3.9752 -3.9752 -3.5523 -3.5523 -3.4092 -3.4092 4.9040 4.9040 5.9949 5.9949 6.0395 6.0395 6.2377 6.2377 6.9464 6.9464 7.0237 7.0237 10.7734 10.7734 13.9083 13.9083 14.8586 14.8586 14.9358 14.9358 k = 0.6453 0.1787-0.8467 ( 2340 PWs) bands (ev): -32.9393 -32.9393 -20.0121 -20.0121 -14.1604 -14.1604 -12.8863 -12.8863 -12.4632 -12.4632 -8.0049 -8.0049 -7.4582 -7.4582 -3.9704 -3.9704 -3.5497 -3.5497 -3.4069 -3.4069 4.9179 4.9179 6.0052 6.0052 6.0404 6.0404 6.2179 6.2179 6.9525 6.9525 7.0260 7.0260 10.7816 10.7816 13.8828 13.8828 14.8234 14.8234 14.9005 14.9005 k = 0.6421 0.1778-0.8265 ( 2340 PWs) bands (ev): -32.9402 -32.9402 -20.0138 -20.0138 -14.1557 -14.1557 -12.8829 -12.8829 -12.4640 -12.4640 -7.9979 -7.9979 -7.4658 -7.4658 -3.9645 -3.9645 -3.5467 -3.5467 -3.4043 -3.4043 4.9336 4.9336 6.0142 6.0142 6.0421 6.0421 6.1995 6.1995 6.9580 6.9580 7.0279 7.0279 10.7924 10.7924 13.8524 13.8524 14.7857 14.7857 14.8615 14.8615 k = 0.6390 0.1770-0.8063 ( 2342 PWs) bands (ev): -32.9413 -32.9413 -20.0158 -20.0158 -14.1506 -14.1506 -12.8791 -12.8791 -12.4649 -12.4649 -7.9901 -7.9901 -7.4745 -7.4745 -3.9577 -3.9577 -3.5433 -3.5433 -3.4015 -3.4015 4.9509 4.9509 6.0205 6.0205 6.0442 6.0442 6.1837 6.1837 6.9628 6.9628 7.0293 7.0293 10.8061 10.8061 13.8175 13.8175 14.7458 14.7458 14.8192 14.8192 k = 0.6358 0.1761-0.7860 ( 2342 PWs) bands (ev): -32.9425 -32.9425 -20.0179 -20.0179 -14.1449 -14.1449 -12.8748 -12.8748 -12.4658 -12.4658 -7.9816 -7.9816 -7.4841 -7.4841 -3.9498 -3.9498 -3.5397 -3.5397 -3.3983 -3.3983 4.9697 4.9697 6.0228 6.0228 6.0467 6.0467 6.1725 6.1725 6.9672 6.9672 7.0305 7.0305 10.8224 10.8224 13.7787 13.7787 14.7038 14.7038 14.7739 14.7739 k = 0.6327 0.1752-0.7658 ( 2345 PWs) bands (ev): -32.9438 -32.9438 -20.0202 -20.0202 -14.1388 -14.1388 -12.8700 -12.8700 -12.4667 -12.4667 -7.9725 -7.9725 -7.4947 -7.4947 -3.9410 -3.9410 -3.5356 -3.5356 -3.3949 -3.3949 4.9897 4.9897 6.0194 6.0194 6.0493 6.0493 6.1674 6.1674 6.9710 6.9710 7.0314 7.0314 10.8415 10.8415 13.7361 13.7361 14.6594 14.6594 14.7263 14.7263 k = 0.6295 0.1743-0.7456 ( 2347 PWs) bands (ev): -32.9452 -32.9452 -20.0228 -20.0228 -14.1323 -14.1323 -12.8649 -12.8649 -12.4675 -12.4675 -7.9627 -7.9627 -7.5062 -7.5062 -3.9312 -3.9312 -3.5313 -3.5313 -3.3913 -3.3913 5.0109 5.0109 6.0095 6.0095 6.0523 6.0523 6.1692 6.1692 6.9745 6.9745 7.0322 7.0322 10.8633 10.8633 13.6905 13.6905 14.6125 14.6125 14.6771 14.6771 k = 0.6263 0.1735-0.7253 ( 2343 PWs) bands (ev): -32.9468 -32.9468 -20.0255 -20.0255 -14.1253 -14.1253 -12.8592 -12.8592 -12.4682 -12.4682 -7.9524 -7.9524 -7.5185 -7.5185 -3.9204 -3.9204 -3.5265 -3.5265 -3.3874 -3.3874 5.0330 5.0330 5.9940 5.9940 6.0559 6.0559 6.1767 6.1767 6.9775 6.9775 7.0329 7.0329 10.8877 10.8877 13.6425 13.6425 14.5626 14.5626 14.6271 14.6271 k = 0.6232 0.1726-0.7051 ( 2351 PWs) bands (ev): -32.9484 -32.9484 -20.0284 -20.0284 -14.1180 -14.1180 -12.8531 -12.8531 -12.4689 -12.4689 -7.9417 -7.9417 -7.5316 -7.5316 -3.9088 -3.9088 -3.5215 -3.5215 -3.3832 -3.3832 5.0558 5.0558 5.9746 5.9746 6.0599 6.0599 6.1884 6.1884 6.9801 6.9801 7.0336 7.0336 10.9147 10.9147 13.5925 13.5925 14.5095 14.5095 14.5772 14.5772 k = 0.6200 0.1717-0.6849 ( 2347 PWs) bands (ev): -32.9501 -32.9501 -20.0314 -20.0314 -14.1104 -14.1104 -12.8466 -12.8466 -12.4694 -12.4694 -7.9307 -7.9307 -7.5453 -7.5453 -3.8964 -3.8964 -3.5162 -3.5162 -3.3789 -3.3789 5.0793 5.0793 5.9527 5.9527 6.0643 6.0643 6.2031 6.2031 6.9823 6.9823 7.0344 7.0344 10.9443 10.9443 13.5413 13.5413 14.4532 14.4532 14.5278 14.5278 k = 0.6169 0.1708-0.6646 ( 2347 PWs) bands (ev): -32.9519 -32.9519 -20.0346 -20.0346 -14.1026 -14.1026 -12.8397 -12.8397 -12.4696 -12.4696 -7.9196 -7.9196 -7.5595 -7.5595 -3.8831 -3.8831 -3.5105 -3.5105 -3.3743 -3.3743 5.1031 5.1031 5.9293 5.9293 6.0690 6.0690 6.2197 6.2197 6.9840 6.9840 7.0354 7.0354 10.9763 10.9763 13.4893 13.4893 14.3940 14.3940 14.4792 14.4792 k = 0.6137 0.1700-0.6444 ( 2347 PWs) bands (ev): -32.9538 -32.9538 -20.0380 -20.0380 -14.0946 -14.0946 -12.8324 -12.8324 -12.4697 -12.4697 -7.9086 -7.9086 -7.5739 -7.5739 -3.8691 -3.8691 -3.5045 -3.5045 -3.3696 -3.3696 5.1271 5.1271 5.9050 5.9050 6.0738 6.0738 6.2379 6.2379 6.9853 6.9853 7.0366 7.0366 11.0108 11.0108 13.4370 13.4370 14.3325 14.3325 14.4312 14.4312 k = 0.6105 0.1691-0.6242 ( 2347 PWs) bands (ev): -32.9557 -32.9557 -20.0414 -20.0414 -14.0865 -14.0865 -12.8247 -12.8247 -12.4694 -12.4694 -7.8979 -7.8979 -7.5883 -7.5883 -3.8544 -3.8544 -3.4983 -3.4983 -3.3647 -3.3647 5.1512 5.1512 5.8804 5.8804 6.0788 6.0788 6.2574 6.2574 6.9861 6.9861 7.0381 7.0381 11.0477 11.0477 13.3848 13.3848 14.2693 14.2693 14.3839 14.3839 k = 0.6074 0.1682-0.6039 ( 2353 PWs) bands (ev): -32.9577 -32.9577 -20.0450 -20.0450 -14.0782 -14.0782 -12.8167 -12.8167 -12.4689 -12.4689 -7.8880 -7.8880 -7.6024 -7.6024 -3.8391 -3.8391 -3.4917 -3.4917 -3.3597 -3.3597 5.1752 5.1752 5.8556 5.8556 6.0837 6.0837 6.2780 6.2780 6.9866 6.9866 7.0397 7.0397 11.0868 11.0868 13.3332 13.3332 14.2049 14.2049 14.3373 14.3373 k = 0.6042 0.1673-0.5837 ( 2351 PWs) bands (ev): -32.9598 -32.9598 -20.0487 -20.0487 -14.0700 -14.0700 -12.8084 -12.8084 -12.4679 -12.4679 -7.8794 -7.8794 -7.6155 -7.6155 -3.8233 -3.8233 -3.4849 -3.4849 -3.3545 -3.3545 5.1989 5.1989 5.8309 5.8309 6.0886 6.0886 6.2995 6.2995 6.9867 6.9867 7.0415 7.0415 11.1282 11.1282 13.2825 13.2825 14.1397 14.1397 14.2915 14.2915 k = 0.6011 0.1665-0.5635 ( 2351 PWs) bands (ev): -32.9619 -32.9619 -20.0525 -20.0525 -14.0617 -14.0617 -12.7998 -12.7998 -12.4666 -12.4666 -7.8726 -7.8726 -7.6271 -7.6271 -3.8070 -3.8070 -3.4777 -3.4777 -3.3492 -3.3492 5.2221 5.2221 5.8065 5.8065 6.0934 6.0934 6.3221 6.3221 6.9867 6.9867 7.0433 7.0433 11.1716 11.1716 13.2330 13.2330 14.0742 14.0742 14.2468 14.2468 k = 0.5979 0.1656-0.5432 ( 2349 PWs) bands (ev): -32.9641 -32.9641 -20.0563 -20.0563 -14.0535 -14.0535 -12.7910 -12.7910 -12.4648 -12.4648 -7.8685 -7.8685 -7.6365 -7.6365 -3.7904 -3.7904 -3.4703 -3.4703 -3.3438 -3.3438 5.2448 5.2448 5.7826 5.7826 6.0980 6.0980 6.3456 6.3456 6.9865 6.9865 7.0449 7.0449 11.2171 11.2171 13.1849 13.1849 14.0087 14.0087 14.2033 14.2033 k = 0.5948 0.1647-0.5230 ( 2350 PWs) bands (ev): -32.9663 -32.9663 -20.0602 -20.0602 -14.0454 -14.0454 -12.7819 -12.7819 -12.4624 -12.4624 -7.8677 -7.8677 -7.6428 -7.6428 -3.7736 -3.7736 -3.4626 -3.4626 -3.3384 -3.3384 5.2668 5.2668 5.7593 5.7593 6.1023 6.1023 6.3701 6.3701 6.9863 6.9863 7.0461 7.0461 11.2645 11.2645 13.1385 13.1385 13.9435 13.9435 14.1613 14.1613 k = 0.5916 0.1638-0.5028 ( 2349 PWs) bands (ev): -32.9685 -32.9685 -20.0641 -20.0641 -14.0375 -14.0375 -12.7728 -12.7728 -12.4596 -12.4596 -7.8708 -7.8708 -7.6455 -7.6455 -3.7566 -3.7566 -3.4545 -3.4545 -3.3328 -3.3328 5.2880 5.2880 5.7367 5.7367 6.1063 6.1063 6.3955 6.3955 6.9862 6.9862 7.0468 7.0468 11.3137 11.3137 13.0940 13.0940 13.8788 13.8788 14.1209 14.1209 k = 0.5884 0.1630-0.4825 ( 2347 PWs) bands (ev): -32.9708 -32.9708 -20.0681 -20.0681 -14.0297 -14.0297 -12.7636 -12.7636 -12.4561 -12.4561 -7.8780 -7.8780 -7.6444 -7.6444 -3.7396 -3.7396 -3.4462 -3.4462 -3.3273 -3.3273 5.3082 5.3082 5.7150 5.7150 6.1099 6.1099 6.4219 6.4219 6.9863 6.9863 7.0467 7.0467 11.3647 11.3647 13.0515 13.0515 13.8148 13.8148 14.0825 14.0825 k = 0.5853 0.1621-0.4623 ( 2349 PWs) bands (ev): -32.9730 -32.9730 -20.0721 -20.0721 -14.0222 -14.0222 -12.7544 -12.7544 -12.4520 -12.4520 -7.8891 -7.8891 -7.6397 -7.6397 -3.7227 -3.7227 -3.4376 -3.4376 -3.3217 -3.3217 5.3275 5.3275 5.6945 5.6945 6.1131 6.1131 6.4492 6.4492 6.9865 6.9865 7.0458 7.0458 11.4172 11.4172 13.0111 13.0111 13.7518 13.7518 14.0462 14.0462 k = 0.5821 0.1612-0.4421 ( 2347 PWs) bands (ev): -32.9753 -32.9753 -20.0761 -20.0761 -14.0150 -14.0150 -12.7452 -12.7452 -12.4472 -12.4472 -7.9035 -7.9035 -7.6320 -7.6320 -3.7060 -3.7060 -3.4287 -3.4287 -3.3161 -3.3161 5.3455 5.3455 5.6753 5.6753 6.1157 6.1157 6.4773 6.4773 6.9870 6.9870 7.0438 7.0438 11.4713 11.4713 12.9728 12.9728 13.6899 13.6899 14.0123 14.0123 k = 0.5790 0.1603-0.4218 ( 2343 PWs) bands (ev): -32.9776 -32.9776 -20.0801 -20.0801 -14.0080 -14.0080 -12.7362 -12.7362 -12.4418 -12.4418 -7.9205 -7.9205 -7.6219 -7.6219 -3.6896 -3.6896 -3.4195 -3.4195 -3.3104 -3.3104 5.3622 5.3622 5.6578 5.6578 6.1179 6.1179 6.5061 6.5061 6.9878 6.9878 7.0406 7.0406 11.5267 11.5267 12.9369 12.9369 13.6293 13.6293 13.9809 13.9809 k = 0.5758 0.1595-0.4016 ( 2341 PWs) bands (ev): -32.9798 -32.9798 -20.0841 -20.0841 -14.0013 -14.0013 -12.7273 -12.7273 -12.4356 -12.4356 -7.9395 -7.9395 -7.6100 -7.6100 -3.6735 -3.6735 -3.4101 -3.4101 -3.3048 -3.3048 5.3773 5.3773 5.6423 5.6423 6.1194 6.1194 6.5357 6.5357 6.9887 6.9887 7.0363 7.0363 11.5835 11.5835 12.9032 12.9032 13.5702 13.5702 13.9520 13.9520 k = 0.5726 0.1586-0.3814 ( 2339 PWs) bands (ev): -32.9820 -32.9820 -20.0880 -20.0880 -13.9950 -13.9950 -12.7187 -12.7187 -12.4288 -12.4288 -7.9600 -7.9600 -7.5968 -7.5968 -3.6580 -3.6580 -3.4003 -3.4003 -3.2993 -3.2993 5.3903 5.3903 5.6295 5.6295 6.1204 6.1204 6.5657 6.5657 6.9894 6.9894 7.0309 7.0309 11.6413 11.6413 12.8718 12.8718 13.5127 13.5127 13.9258 13.9258 k = 0.5695 0.1577-0.3611 ( 2340 PWs) bands (ev): -32.9842 -32.9842 -20.0919 -20.0919 -13.9890 -13.9890 -12.7105 -12.7105 -12.4212 -12.4212 -7.9814 -7.9814 -7.5828 -7.5828 -3.6430 -3.6430 -3.3904 -3.3904 -3.2937 -3.2937 5.4007 5.4007 5.6200 5.6200 6.1208 6.1208 6.5960 6.5960 6.9895 6.9895 7.0250 7.0250 11.7002 11.7002 12.8426 12.8426 13.4570 13.4570 13.9021 13.9021 k = 0.5663 0.1568-0.3409 ( 2341 PWs) bands (ev): -32.9864 -32.9864 -20.0957 -20.0957 -13.9833 -13.9833 -12.7026 -12.7026 -12.4130 -12.4130 -8.0036 -8.0036 -7.5682 -7.5682 -3.6287 -3.6287 -3.3802 -3.3802 -3.2883 -3.2883 5.4079 5.4079 5.6146 5.6146 6.1206 6.1206 6.6265 6.6265 6.9875 6.9875 7.0198 7.0198 11.7599 11.7599 12.8158 12.8158 13.4031 13.4031 13.8806 13.8806 k = 0.5632 0.1560-0.3206 ( 2337 PWs) bands (ev): -32.9885 -32.9885 -20.0994 -20.0994 -13.9780 -13.9780 -12.6950 -12.6950 -12.4041 -12.4041 -8.0261 -8.0261 -7.5532 -7.5532 -3.6151 -3.6151 -3.3699 -3.3699 -3.2828 -3.2828 5.4115 5.4115 5.6140 5.6140 6.1199 6.1199 6.6567 6.6567 6.9816 6.9816 7.0171 7.0171 11.8205 11.8205 12.7912 12.7912 13.3511 13.3511 13.8605 13.8605 k = 0.5600 0.1551-0.3004 ( 2337 PWs) bands (ev): -32.9906 -32.9906 -20.1031 -20.1031 -13.9731 -13.9731 -12.6879 -12.6879 -12.3947 -12.3947 -8.0488 -8.0488 -7.5382 -7.5382 -3.6023 -3.6023 -3.3595 -3.3595 -3.2774 -3.2774 5.4113 5.4113 5.6184 5.6184 6.1187 6.1187 6.6865 6.6865 6.9716 6.9716 7.0175 7.0175 11.8815 11.8815 12.7687 12.7687 13.3011 13.3011 13.8408 13.8408 k = 0.5569 0.1542-0.2802 ( 2337 PWs) bands (ev): -32.9926 -32.9926 -20.1066 -20.1066 -13.9685 -13.9685 -12.6813 -12.6813 -12.3848 -12.3848 -8.0714 -8.0714 -7.5232 -7.5232 -3.5903 -3.5903 -3.3491 -3.3491 -3.2720 -3.2720 5.4077 5.4077 5.6276 5.6276 6.1169 6.1169 6.7151 6.7151 6.9584 6.9584 7.0200 7.0200 11.9431 11.9431 12.7483 12.7483 13.2533 13.2533 13.8192 13.8192 k = 0.5537 0.1533-0.2599 ( 2335 PWs) bands (ev): -32.9945 -32.9945 -20.1100 -20.1100 -13.9643 -13.9643 -12.6751 -12.6751 -12.3744 -12.3744 -8.0937 -8.0937 -7.5084 -7.5084 -3.5791 -3.5791 -3.3388 -3.3388 -3.2667 -3.2667 5.4015 5.4015 5.6410 5.6410 6.1148 6.1148 6.7417 6.7417 6.9437 6.9437 7.0238 7.0238 12.0048 12.0048 12.7300 12.7300 13.2076 13.2076 13.7930 13.7930 k = 0.5505 0.1525-0.2397 ( 2331 PWs) bands (ev): -32.9964 -32.9964 -20.1133 -20.1133 -13.9604 -13.9604 -12.6693 -12.6693 -12.3638 -12.3638 -8.1157 -8.1157 -7.4939 -7.4939 -3.5687 -3.5687 -3.3287 -3.3287 -3.2614 -3.2614 5.3933 5.3933 5.6580 5.6580 6.1122 6.1122 6.7648 6.7648 6.9292 6.9292 7.0283 7.0283 12.0666 12.0666 12.7136 12.7136 13.1643 13.1643 13.7603 13.7603 k = 0.5474 0.1516-0.2195 ( 2337 PWs) bands (ev): -32.9982 -32.9982 -20.1165 -20.1165 -13.9569 -13.9569 -12.6640 -12.6640 -12.3530 -12.3530 -8.1371 -8.1371 -7.4798 -7.4798 -3.5592 -3.5592 -3.3188 -3.3188 -3.2561 -3.2561 5.3839 5.3839 5.6781 5.6781 6.1094 6.1094 6.7813 6.7813 6.9180 6.9180 7.0333 7.0333 12.1281 12.1281 12.6992 12.6992 13.1233 13.1233 13.7216 13.7216 k = 0.5442 0.1507-0.1992 ( 2338 PWs) bands (ev): -32.9999 -32.9999 -20.1195 -20.1195 -13.9537 -13.9537 -12.6591 -12.6591 -12.3421 -12.3421 -8.1578 -8.1578 -7.4663 -7.4663 -3.5505 -3.5505 -3.3094 -3.3094 -3.2508 -3.2508 5.3739 5.3739 5.7007 5.7007 6.1062 6.1062 6.7869 6.7869 6.9146 6.9146 7.0386 7.0386 12.1891 12.1891 12.6867 12.6867 13.0846 13.0846 13.6794 13.6794 k = 0.5411 0.1498-0.1790 ( 2340 PWs) bands (ev): -33.0015 -33.0015 -20.1223 -20.1223 -13.9508 -13.9508 -12.6546 -12.6546 -12.3313 -12.3313 -8.1777 -8.1777 -7.4533 -7.4533 -3.5425 -3.5425 -3.3006 -3.3006 -3.2454 -3.2454 5.3637 5.3637 5.7255 5.7255 6.1030 6.1030 6.7788 6.7788 6.9214 6.9214 7.0442 7.0442 12.2491 12.2491 12.6762 12.6762 13.0484 13.0484 13.6362 13.6362 k = 0.5379 0.1490-0.1588 ( 2340 PWs) bands (ev): -33.0030 -33.0030 -20.1250 -20.1250 -13.9482 -13.9482 -12.6506 -12.6506 -12.3206 -12.3206 -8.1967 -8.1967 -7.4410 -7.4410 -3.5353 -3.5353 -3.2924 -3.2924 -3.2400 -3.2400 5.3535 5.3535 5.7522 5.7522 6.0996 6.0996 6.7599 6.7599 6.9359 6.9359 7.0498 7.0498 12.3076 12.3076 12.6677 12.6677 13.0148 13.0148 13.5937 13.5937 k = 0.5347 0.1481-0.1385 ( 2342 PWs) bands (ev): -33.0045 -33.0045 -20.1275 -20.1275 -13.9459 -13.9459 -12.6469 -12.6469 -12.3103 -12.3103 -8.2145 -8.2145 -7.4294 -7.4294 -3.5288 -3.5288 -3.2849 -3.2849 -3.2346 -3.2346 5.3437 5.3437 5.7807 5.7807 6.0961 6.0961 6.7340 6.7340 6.9539 6.9539 7.0555 7.0555 12.3638 12.3638 12.6615 12.6615 12.9837 12.9837 13.5530 13.5530 k = 0.5316 0.1472-0.1183 ( 2339 PWs) bands (ev): -33.0058 -33.0058 -20.1298 -20.1298 -13.9438 -13.9438 -12.6436 -12.6436 -12.3004 -12.3004 -8.2313 -8.2313 -7.4187 -7.4187 -3.5230 -3.5230 -3.2783 -3.2783 -3.2291 -3.2291 5.3343 5.3343 5.8105 5.8105 6.0927 6.0927 6.7041 6.7041 6.9729 6.9729 7.0612 7.0612 12.4167 12.4167 12.6583 12.6583 12.9552 12.9552 13.5147 13.5147 k = 0.5284 0.1463-0.0981 ( 2341 PWs) bands (ev): -33.0070 -33.0070 -20.1319 -20.1319 -13.9420 -13.9420 -12.6407 -12.6407 -12.2910 -12.2910 -8.2467 -8.2467 -7.4088 -7.4088 -3.5179 -3.5179 -3.2724 -3.2724 -3.2238 -3.2238 5.3255 5.3255 5.8416 5.8416 6.0895 6.0895 6.6715 6.6715 6.9915 6.9915 7.0668 7.0668 12.4644 12.4644 12.6591 12.6591 12.9294 12.9294 13.4794 13.4794 k = 0.5253 0.1455-0.0778 ( 2342 PWs) bands (ev): -33.0081 -33.0081 -20.1338 -20.1338 -13.9404 -13.9404 -12.6381 -12.6381 -12.2823 -12.2823 -8.2608 -8.2608 -7.3998 -7.3998 -3.5134 -3.5134 -3.2674 -3.2674 -3.2186 -3.2186 5.3174 5.3174 5.8737 5.8737 6.0863 6.0863 6.6372 6.6372 7.0088 7.0088 7.0723 7.0723 12.5045 12.5045 12.6658 12.6658 12.9063 12.9063 13.4473 13.4473 k = 0.5221 0.1446-0.0576 ( 2336 PWs) bands (ev): -33.0090 -33.0090 -20.1355 -20.1355 -13.9390 -13.9390 -12.6358 -12.6358 -12.2743 -12.2743 -8.2735 -8.2735 -7.3917 -7.3917 -3.5094 -3.5094 -3.2631 -3.2631 -3.2137 -3.2137 5.3101 5.3101 5.9063 5.9063 6.0834 6.0834 6.6020 6.6020 7.0244 7.0244 7.0777 7.0777 12.5340 12.5340 12.6805 12.6805 12.8860 12.8860 13.4187 13.4187 k = 0.5190 0.1437-0.0374 ( 2336 PWs) bands (ev): -33.0099 -33.0099 -20.1370 -20.1370 -13.9379 -13.9379 -12.6339 -12.6339 -12.2673 -12.2673 -8.2846 -8.2846 -7.3846 -7.3846 -3.5061 -3.5061 -3.2595 -3.2595 -3.2092 -3.2092 5.3037 5.3037 5.9390 5.9390 6.0808 6.0808 6.5667 6.5667 7.0378 7.0378 7.0830 7.0830 12.5524 12.5524 12.7028 12.7028 12.8686 12.8686 13.3937 13.3937 k = 0.5158 0.1428-0.0171 ( 2336 PWs) bands (ev): -33.0106 -33.0106 -20.1383 -20.1383 -13.9369 -13.9369 -12.6322 -12.6322 -12.2611 -12.2611 -8.2941 -8.2941 -7.3786 -7.3786 -3.5033 -3.5033 -3.2565 -3.2565 -3.2052 -3.2052 5.2982 5.2982 5.9711 5.9711 6.0786 6.0786 6.5320 6.5320 7.0489 7.0489 7.0881 7.0881 12.5623 12.5623 12.7292 12.7292 12.8542 12.8542 13.3724 13.3724 k = 0.5126 0.1420 0.0031 ( 2336 PWs) bands (ev): -33.0112 -33.0112 -20.1393 -20.1393 -13.9362 -13.9362 -12.6309 -12.6309 -12.2560 -12.2560 -8.3020 -8.3020 -7.3736 -7.3736 -3.5010 -3.5010 -3.2542 -3.2542 -3.2018 -3.2018 5.2936 5.2936 6.0016 6.0016 6.0768 6.0768 6.4992 6.4992 7.0575 7.0575 7.0930 7.0930 12.5673 12.5673 12.7548 12.7548 12.8432 12.8432 13.3549 13.3549 k = 0.5095 0.1411 0.0233 ( 2344 PWs) bands (ev): -33.0117 -33.0117 -20.1401 -20.1401 -13.9356 -13.9356 -12.6299 -12.6299 -12.2519 -12.2519 -8.3082 -8.3082 -7.3697 -7.3697 -3.4993 -3.4993 -3.2524 -3.2524 -3.1991 -3.1991 5.2900 5.2900 6.0289 6.0289 6.0755 6.0755 6.4698 6.4698 7.0638 7.0638 7.0974 7.0974 12.5697 12.5697 12.7758 12.7758 12.8362 12.8362 13.3412 13.3412 k = 0.5063 0.1402 0.0436 ( 2348 PWs) bands (ev): -33.0120 -33.0120 -20.1407 -20.1407 -13.9352 -13.9352 -12.6292 -12.6292 -12.2490 -12.2490 -8.3127 -8.3127 -7.3669 -7.3669 -3.4981 -3.4981 -3.2512 -3.2512 -3.1971 -3.1971 5.2874 5.2874 6.0509 6.0509 6.0750 6.0750 6.4457 6.4457 7.0680 7.0680 7.1009 7.1009 12.5708 12.5708 12.7894 12.7894 12.8339 12.8339 13.3314 13.3314 k = 0.5032 0.1393 0.0638 ( 2356 PWs) bands (ev): -33.0122 -33.0122 -20.1411 -20.1411 -13.9350 -13.9350 -12.6287 -12.6287 -12.2472 -12.2472 -8.3153 -8.3153 -7.3652 -7.3652 -3.4974 -3.4974 -3.2505 -3.2505 -3.1959 -3.1959 5.2858 5.2858 6.0641 6.0641 6.0765 6.0765 6.4296 6.4296 7.0704 7.0704 7.1031 7.1031 12.5712 12.5712 12.7953 12.7953 12.8351 12.8351 13.3256 13.3256 k = 0.5000 0.1385 0.0840 ( 2360 PWs) bands (ev): -33.0123 -33.0123 -20.1412 -20.1412 -13.9349 -13.9349 -12.6286 -12.6286 -12.2467 -12.2467 -8.3162 -8.3162 -7.3647 -7.3647 -3.4971 -3.4971 -3.2502 -3.2502 -3.1955 -3.1955 5.2853 5.2853 6.0673 6.0673 6.0784 6.0784 6.4239 6.4239 7.0712 7.0712 7.1039 7.1039 12.5713 12.5713 12.7967 12.7967 12.8362 12.8362 13.3236 13.3236 k = 0.5000-0.8335-0.5059 ( 2352 PWs) bands (ev): -32.9362 -32.9362 -20.0069 -20.0069 -14.1736 -14.1736 -12.8943 -12.8943 -12.4592 -12.4592 -8.1272 -8.1272 -7.3160 -7.3160 -4.0127 -4.0127 -3.5780 -3.5780 -3.4258 -3.4258 5.2335 5.2335 5.9911 5.9911 6.1931 6.1931 6.2136 6.2136 6.5574 6.5574 6.8332 6.8332 11.1472 11.1472 14.1143 14.1143 14.2154 14.2154 15.0198 15.0198 k = 0.5175-0.8258-0.5012 ( 2352 PWs) bands (ev): -32.9362 -32.9362 -20.0069 -20.0069 -14.1736 -14.1736 -12.8943 -12.8943 -12.4592 -12.4592 -8.1268 -8.1268 -7.3165 -7.3165 -4.0126 -4.0126 -3.5779 -3.5779 -3.4258 -3.4258 5.2311 5.2311 5.9926 5.9926 6.1921 6.1921 6.2121 6.2121 6.5600 6.5600 6.8343 6.8343 11.1451 11.1451 14.1107 14.1107 14.2226 14.2226 15.0195 15.0195 k = 0.5351-0.8181-0.4965 ( 2354 PWs) bands (ev): -32.9362 -32.9362 -20.0069 -20.0069 -14.1736 -14.1736 -12.8943 -12.8943 -12.4593 -12.4593 -8.1255 -8.1255 -7.3179 -7.3179 -4.0122 -4.0122 -3.5776 -3.5776 -3.4256 -3.4256 5.2242 5.2242 5.9972 5.9972 6.1893 6.1893 6.2081 6.2081 6.5674 6.5674 6.8374 6.8374 11.1389 11.1389 14.1020 14.1020 14.2421 14.2421 15.0189 15.0189 k = 0.5526-0.8104-0.4918 ( 2360 PWs) bands (ev): -32.9362 -32.9362 -20.0070 -20.0070 -14.1736 -14.1736 -12.8943 -12.8943 -12.4593 -12.4593 -8.1235 -8.1235 -7.3204 -7.3204 -4.0116 -4.0116 -3.5771 -3.5771 -3.4254 -3.4254 5.2129 5.2129 6.0045 6.0045 6.1846 6.1846 6.2018 6.2018 6.5794 6.5794 6.8425 6.8425 11.1285 11.1285 14.0913 14.0913 14.2705 14.2705 15.0179 15.0179 k = 0.5702-0.8027-0.4872 ( 2359 PWs) bands (ev): -32.9362 -32.9362 -20.0070 -20.0070 -14.1736 -14.1736 -12.8944 -12.8944 -12.4593 -12.4593 -8.1208 -8.1208 -7.3238 -7.3238 -4.0108 -4.0108 -3.5765 -3.5765 -3.4250 -3.4250 5.1978 5.1978 6.0136 6.0136 6.1783 6.1783 6.1942 6.1942 6.5953 6.5953 6.8494 6.8494 11.1145 11.1145 14.0804 14.0804 14.3060 14.3060 15.0166 15.0166 k = 0.5877-0.7951-0.4825 ( 2361 PWs) bands (ev): -32.9362 -32.9362 -20.0070 -20.0070 -14.1736 -14.1736 -12.8944 -12.8944 -12.4594 -12.4594 -8.1172 -8.1172 -7.3280 -7.3280 -4.0098 -4.0098 -3.5757 -3.5757 -3.4246 -3.4246 5.1795 5.1795 6.0238 6.0238 6.1707 6.1707 6.1861 6.1861 6.6143 6.6143 6.8579 6.8579 11.0970 11.0970 14.0698 14.0698 14.3476 14.3476 15.0148 15.0148 k = 0.6053-0.7874-0.4778 ( 2361 PWs) bands (ev): -32.9363 -32.9363 -20.0070 -20.0070 -14.1736 -14.1736 -12.8945 -12.8945 -12.4595 -12.4595 -8.1129 -8.1129 -7.3332 -7.3332 -4.0085 -4.0085 -3.5747 -3.5747 -3.4241 -3.4241 5.1584 5.1584 6.0339 6.0339 6.1621 6.1621 6.1786 6.1786 6.6359 6.6359 6.8678 6.8678 11.0765 11.0765 14.0596 14.0596 14.3946 14.3946 15.0126 15.0126 k = 0.6228-0.7797-0.4732 ( 2357 PWs) bands (ev): -32.9363 -32.9363 -20.0070 -20.0070 -14.1736 -14.1736 -12.8946 -12.8946 -12.4595 -12.4595 -8.1079 -8.1079 -7.3392 -7.3392 -4.0071 -4.0071 -3.5736 -3.5736 -3.4235 -3.4235 5.1354 5.1354 6.0422 6.0422 6.1528 6.1528 6.1731 6.1731 6.6595 6.6595 6.8788 6.8788 11.0535 11.0535 14.0498 14.0498 14.4467 14.4467 15.0100 15.0100 k = 0.6404-0.7720-0.4685 ( 2357 PWs) bands (ev): -32.9363 -32.9363 -20.0070 -20.0070 -14.1736 -14.1736 -12.8946 -12.8946 -12.4596 -12.4596 -8.1023 -8.1023 -7.3460 -7.3460 -4.0055 -4.0055 -3.5724 -3.5724 -3.4228 -3.4228 5.1108 5.1108 6.0472 6.0472 6.1428 6.1428 6.1713 6.1713 6.6845 6.6845 6.8908 6.8908 11.0284 11.0284 14.0404 14.0404 14.5033 14.5033 15.0069 15.0069 k = 0.6579-0.7643-0.4638 ( 2359 PWs) bands (ev): -32.9363 -32.9363 -20.0071 -20.0071 -14.1736 -14.1736 -12.8947 -12.8947 -12.4597 -12.4597 -8.0961 -8.0961 -7.3535 -7.3535 -4.0037 -4.0037 -3.5711 -3.5711 -3.4221 -3.4221 5.0853 5.0853 6.0477 6.0477 6.1322 6.1322 6.1745 6.1745 6.7105 6.7105 6.9034 6.9034 11.0017 11.0017 14.0311 14.0311 14.5640 14.5640 15.0035 15.0035 k = 0.6755-0.7566-0.4592 ( 2355 PWs) bands (ev): -32.9364 -32.9364 -20.0071 -20.0071 -14.1735 -14.1735 -12.8948 -12.8948 -12.4598 -12.4598 -8.0893 -8.0893 -7.3616 -7.3616 -4.0017 -4.0017 -3.5697 -3.5697 -3.4213 -3.4213 5.0593 5.0593 6.0438 6.0438 6.1211 6.1211 6.1824 6.1824 6.7369 6.7369 6.9164 6.9164 10.9739 10.9739 14.0220 14.0220 14.6282 14.6282 14.9995 14.9995 k = 0.6930-0.7489-0.4545 ( 2355 PWs) bands (ev): -32.9364 -32.9364 -20.0071 -20.0071 -14.1735 -14.1735 -12.8949 -12.8949 -12.4599 -12.4599 -8.0820 -8.0820 -7.3703 -7.3703 -3.9997 -3.9997 -3.5682 -3.5682 -3.4204 -3.4204 5.0332 5.0332 6.0366 6.0366 6.1099 6.1099 6.1939 6.1939 6.7635 6.7635 6.9297 6.9297 10.9456 10.9456 14.0130 14.0130 14.6954 14.6954 14.9951 14.9951 k = 0.7106-0.7412-0.4498 ( 2354 PWs) bands (ev): -32.9364 -32.9364 -20.0072 -20.0072 -14.1734 -14.1734 -12.8949 -12.8949 -12.4600 -12.4600 -8.0743 -8.0743 -7.3794 -7.3794 -3.9976 -3.9976 -3.5667 -3.5667 -3.4195 -3.4195 5.0074 5.0074 6.0272 6.0272 6.0987 6.0987 6.2077 6.2077 6.7898 6.7898 6.9429 6.9429 10.9170 10.9170 14.0042 14.0042 14.7648 14.7648 14.9901 14.9901 k = 0.7281-0.7335-0.4452 ( 2352 PWs) bands (ev): -32.9365 -32.9365 -20.0072 -20.0072 -14.1734 -14.1734 -12.8950 -12.8950 -12.4601 -12.4601 -8.0662 -8.0662 -7.3889 -7.3889 -3.9953 -3.9953 -3.5652 -3.5652 -3.4186 -3.4186 4.9822 4.9822 6.0166 6.0166 6.0877 6.0877 6.2227 6.2227 6.8155 6.8155 6.9561 6.9561 10.8888 10.8888 13.9955 13.9955 14.8357 14.8357 14.9849 14.9849 k = 0.7457-0.7258-0.4405 ( 2347 PWs) bands (ev): -32.9365 -32.9365 -20.0073 -20.0073 -14.1733 -14.1733 -12.8950 -12.8950 -12.4602 -12.4602 -8.0580 -8.0580 -7.3987 -7.3987 -3.9931 -3.9931 -3.5637 -3.5637 -3.4177 -3.4177 4.9579 4.9579 6.0054 6.0054 6.0771 6.0771 6.2383 6.2383 6.8403 6.8403 6.9689 6.9689 10.8613 10.8613 13.9869 13.9869 14.9061 14.9061 14.9807 14.9807 k = 0.7632-0.7181-0.4358 ( 2347 PWs) bands (ev): -32.9366 -32.9366 -20.0073 -20.0073 -14.1732 -14.1732 -12.8951 -12.8951 -12.4604 -12.4604 -8.0495 -8.0495 -7.4086 -7.4086 -3.9907 -3.9907 -3.5622 -3.5622 -3.4167 -3.4167 4.9347 4.9347 5.9942 5.9942 6.0670 6.0670 6.2539 6.2539 6.8637 6.8637 6.9812 6.9812 10.8349 10.8349 13.9785 13.9785 14.9568 14.9568 14.9960 14.9960 k = 0.7808-0.7104-0.4312 ( 2344 PWs) bands (ev): -32.9366 -32.9366 -20.0074 -20.0074 -14.1731 -14.1731 -12.8951 -12.8951 -12.4605 -12.4605 -8.0411 -8.0411 -7.4185 -7.4185 -3.9884 -3.9884 -3.5607 -3.5607 -3.4158 -3.4158 4.9129 4.9129 5.9830 5.9830 6.0575 6.0575 6.2694 6.2694 6.8855 6.8855 6.9929 6.9929 10.8099 10.8099 13.9703 13.9703 14.9577 14.9577 15.0375 15.0375 k = 0.7983-0.7027-0.4265 ( 2340 PWs) bands (ev): -32.9367 -32.9367 -20.0075 -20.0075 -14.1729 -14.1729 -12.8951 -12.8951 -12.4606 -12.4606 -8.0327 -8.0327 -7.4283 -7.4283 -3.9861 -3.9861 -3.5593 -3.5593 -3.4149 -3.4149 4.8926 4.8926 5.9722 5.9722 6.0488 6.0488 6.2844 6.2844 6.9055 6.9055 7.0040 7.0040 10.7867 10.7867 13.9623 13.9623 14.9512 14.9512 15.0286 15.0286 k = 0.8158-0.6951-0.4218 ( 2341 PWs) bands (ev): -32.9367 -32.9367 -20.0075 -20.0075 -14.1728 -14.1728 -12.8951 -12.8951 -12.4607 -12.4607 -8.0245 -8.0245 -7.4378 -7.4378 -3.9838 -3.9838 -3.5580 -3.5580 -3.4141 -3.4141 4.8740 4.8740 5.9619 5.9619 6.0408 6.0408 6.2989 6.2989 6.9234 6.9234 7.0141 7.0141 10.7656 10.7656 13.9546 13.9546 14.9441 14.9441 15.0205 15.0205 Writing output data file KYO2.save init_run : 0.30s CPU 0.45s WALL ( 1 calls) electrons : 135.41s CPU 137.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 135.40s CPU 137.40s 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 : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 350 calls) cegterg : 120.42s CPU 121.93s WALL ( 380 calls) Called by sum_band: Called by *egterg: h_psi : 90.21s CPU 91.58s WALL ( 6668 calls) s_psi : 2.94s CPU 2.98s WALL ( 6668 calls) g_psi : 0.12s CPU 0.11s WALL ( 5938 calls) cdiaghg : 33.58s CPU 34.19s WALL ( 6288 calls) cegterg:over : 2.53s CPU 2.54s WALL ( 5938 calls) cegterg:upda : 1.90s CPU 1.77s WALL ( 5938 calls) cegterg:last : 1.08s CPU 1.07s WALL ( 1086 calls) cdiaghg:chol : 1.63s CPU 1.82s WALL ( 6288 calls) cdiaghg:inve : 1.14s CPU 1.09s WALL ( 6288 calls) cdiaghg:para : 1.92s CPU 1.95s WALL ( 12576 calls) Called by h_psi: h_psi:vloc : 85.38s CPU 86.80s WALL ( 6668 calls) h_psi:vnl : 4.75s CPU 4.70s WALL ( 6668 calls) add_vuspsi : 2.57s CPU 2.50s WALL ( 6668 calls) General routines calbec : 2.15s CPU 2.18s WALL ( 6668 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 79.96s CPU 81.17s WALL ( 608716 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.15s WALL ( 700 calls) Parallel routines fft_scatter : 19.71s CPU 20.08s WALL ( 608739 calls) PWSCF : 2m27.04s CPU 2m47.22s WALL This run was terminated on: 19:46:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=