Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:51:11 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: ./RbTlO2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 57 33 9 1221 531 87 Max 58 34 10 1223 548 89 Sum 2059 1203 355 43965 19493 3173 bravais-lattice index = 14 lattice parameter (alat) = 12.6330 a.u. unit-cell volume = 445.8593 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 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)= 12.632973 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.866215 celldm(5)= 0.866215 celldm(6)= 0.866215 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.866215 0.499671 0.000000 ) a(3) = ( 0.866215 0.231925 0.442585 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.733571 -1.048738 ) b(2) = ( 0.000000 2.001317 -1.048738 ) b(3) = ( 0.000000 0.000000 2.259452 ) 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 Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 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 1219 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) Tl 13.00 204.38330 Tl( 1.00) Rb 9.00 85.46780 Rb( 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= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0092593 -0.0160516 -0.0097105), wk = 0.0028736 k( 3) = ( 0.0185185 -0.0321032 -0.0194211), wk = 0.0028736 k( 4) = ( 0.0277778 -0.0481548 -0.0291316), wk = 0.0028736 k( 5) = ( 0.0370370 -0.0642064 -0.0388422), wk = 0.0028736 k( 6) = ( 0.0462963 -0.0802579 -0.0485527), wk = 0.0028736 k( 7) = ( 0.0555556 -0.0963095 -0.0582632), wk = 0.0028736 k( 8) = ( 0.0648148 -0.1123611 -0.0679738), wk = 0.0028736 k( 9) = ( 0.0740741 -0.1284127 -0.0776843), wk = 0.0028736 k( 10) = ( 0.0833333 -0.1444643 -0.0873949), wk = 0.0028736 k( 11) = ( 0.0925926 -0.1605159 -0.0971054), wk = 0.0028736 k( 12) = ( 0.1018518 -0.1765674 -0.1068159), wk = 0.0028736 k( 13) = ( 0.1111111 -0.1926190 -0.1165265), wk = 0.0028736 k( 14) = ( 0.1203704 -0.2086706 -0.1262370), wk = 0.0028736 k( 15) = ( 0.1296296 -0.2247222 -0.1359476), wk = 0.0028736 k( 16) = ( 0.1388889 -0.2407738 -0.1456581), wk = 0.0028736 k( 17) = ( 0.1481482 -0.2568254 -0.1553686), wk = 0.0028736 k( 18) = ( 0.1574074 -0.2728770 -0.1650792), wk = 0.0028736 k( 19) = ( 0.1666667 -0.2889286 -0.1747897), wk = 0.0028736 k( 20) = ( 0.1759259 -0.3049802 -0.1845003), wk = 0.0028736 k( 21) = ( 0.1851852 -0.3210317 -0.1942108), wk = 0.0028736 k( 22) = ( 0.1944444 -0.3370833 -0.2039213), wk = 0.0028736 k( 23) = ( 0.2037037 -0.3531349 -0.2136319), wk = 0.0028736 k( 24) = ( 0.2129630 -0.3691865 -0.2233424), wk = 0.0028736 k( 25) = ( 0.2222222 -0.3852381 -0.2330530), wk = 0.0028736 k( 26) = ( 0.2314815 -0.4012897 -0.2427635), wk = 0.0028736 k( 27) = ( 0.2407407 -0.4173412 -0.2524740), wk = 0.0028736 k( 28) = ( 0.2500000 -0.4333928 -0.2621846), wk = 0.0028736 k( 29) = ( 0.2592593 -0.4494444 -0.2718951), wk = 0.0028736 k( 30) = ( 0.2685185 -0.4654960 -0.2816057), wk = 0.0028736 k( 31) = ( 0.2777778 -0.4815476 -0.2913162), wk = 0.0028736 k( 32) = ( 0.2870370 -0.4975992 -0.3010268), wk = 0.0028736 k( 33) = ( 0.2962963 -0.5136508 -0.3107373), wk = 0.0028736 k( 34) = ( 0.3055556 -0.5297024 -0.3204478), wk = 0.0028736 k( 35) = ( 0.3148148 -0.5457539 -0.3301584), wk = 0.0028736 k( 36) = ( 0.3240741 -0.5618055 -0.3398689), wk = 0.0028736 k( 37) = ( 0.3333333 -0.5778571 -0.3495794), wk = 0.0028736 k( 38) = ( 0.3425926 -0.5939087 -0.3592900), wk = 0.0028736 k( 39) = ( 0.3518519 -0.6099603 -0.3690005), wk = 0.0028736 k( 40) = ( 0.3611111 -0.6260119 -0.3787111), wk = 0.0028736 k( 41) = ( 0.3703704 -0.6420635 -0.3884216), wk = 0.0028736 k( 42) = ( 0.3796296 -0.6581150 -0.3981322), wk = 0.0028736 k( 43) = ( 0.3888889 -0.6741666 -0.4078427), wk = 0.0028736 k( 44) = ( 0.3981481 -0.6902182 -0.4175532), wk = 0.0028736 k( 45) = ( 0.4074074 -0.7062698 -0.4272638), wk = 0.0028736 k( 46) = ( 0.4166667 -0.7223214 -0.4369743), wk = 0.0028736 k( 47) = ( 0.4259259 -0.7383730 -0.4466849), wk = 0.0028736 k( 48) = ( 0.4351852 -0.7544246 -0.4563954), wk = 0.0028736 k( 49) = ( 0.4444444 -0.7704761 -0.4661059), wk = 0.0028736 k( 50) = ( 0.4537037 -0.7865277 -0.4758165), wk = 0.0028736 k( 51) = ( 0.4629630 -0.8025793 -0.4855270), wk = 0.0028736 k( 52) = ( 0.4722222 -0.8186309 -0.4952376), wk = 0.0028736 k( 53) = ( 0.4814815 -0.8346825 -0.5049481), wk = 0.0028736 k( 54) = ( 0.4907407 -0.8507341 -0.5146586), wk = 0.0028736 k( 55) = ( 0.5000000 -0.8667857 -0.5243692), wk = 0.0028736 k( 56) = ( 0.5000000 -0.8667857 -0.5243692), wk = 0.0028736 k( 57) = ( 0.5000000 -0.8560146 -0.5421738), wk = 0.0028736 k( 58) = ( 0.5000000 -0.8452436 -0.5599784), wk = 0.0028736 k( 59) = ( 0.5000000 -0.8344725 -0.5777830), wk = 0.0028736 k( 60) = ( 0.5000000 -0.8237015 -0.5955876), wk = 0.0028736 k( 61) = ( 0.5000000 -0.8129305 -0.6133922), wk = 0.0028736 k( 62) = ( 0.5000000 -0.8021594 -0.6311968), wk = 0.0028736 k( 63) = ( 0.5000000 -0.7913884 -0.6490014), wk = 0.0028736 k( 64) = ( 0.5000000 -0.7806173 -0.6668060), wk = 0.0028736 k( 65) = ( 0.5000000 -0.7698463 -0.6846107), wk = 0.0028736 k( 66) = ( 0.5000000 -0.7590752 -0.7024152), wk = 0.0028736 k( 67) = ( 0.5000000 -0.7483042 -0.7202198), wk = 0.0028736 k( 68) = ( 0.5000000 -0.7375331 -0.7380245), wk = 0.0028736 k( 69) = ( 0.5000000 -0.7267621 -0.7558291), wk = 0.0028736 k( 70) = ( 0.5000000 -0.7159910 -0.7736337), wk = 0.0028736 k( 71) = ( 0.5000000 -0.7052200 -0.7914383), wk = 0.0028736 k( 72) = ( 0.5000000 -0.6944490 -0.8092429), wk = 0.0028736 k( 73) = ( 0.5000000 -0.6836779 -0.8270475), wk = 0.0028736 k( 74) = ( 0.5000000 -0.6729069 -0.8448521), wk = 0.0028736 k( 75) = ( 0.5000000 -0.6621358 -0.8626567), wk = 0.0028736 k( 76) = ( 0.5000000 -0.6513648 -0.8804613), wk = 0.0028736 k( 77) = ( 0.5000000 -0.6405937 -0.8982659), wk = 0.0028736 k( 78) = ( 0.5000000 -0.6298227 -0.9160706), wk = 0.0028736 k( 79) = ( 0.5000000 -0.6190516 -0.9338751), wk = 0.0028736 k( 80) = ( 0.5000000 -0.6082806 -0.9516797), wk = 0.0028736 k( 81) = ( 0.5000000 -0.5975096 -0.9694844), wk = 0.0028736 k( 82) = ( 0.5000000 -0.5867385 -0.9872890), wk = 0.0028736 k( 83) = ( 0.5000000 -0.5759675 -1.0050936), wk = 0.0028736 k( 84) = ( 0.5000000 -0.5651964 -1.0228982), wk = 0.0028736 k( 85) = ( 0.5000000 -0.5544254 -1.0407028), wk = 0.0028736 k( 86) = ( 0.5000000 -0.5436543 -1.0585074), wk = 0.0028736 k( 87) = ( 0.5000000 -0.5328833 -1.0763120), wk = 0.0028736 k( 88) = ( 0.5000000 -0.5221122 -1.0941166), wk = 0.0028736 k( 89) = ( 0.5000000 -0.5113412 -1.1119212), wk = 0.0028736 k( 90) = ( 0.5000000 -0.5005701 -1.1297258), wk = 0.0028736 k( 91) = ( 0.8170127 -0.4156914 -0.9677509), wk = 0.0028736 k( 92) = ( 0.8115470 -0.4062161 -0.9496692), wk = 0.0028736 k( 93) = ( 0.8060813 -0.3967409 -0.9315875), wk = 0.0028736 k( 94) = ( 0.8006155 -0.3872656 -0.9135058), wk = 0.0028736 k( 95) = ( 0.7951498 -0.3777904 -0.8954241), wk = 0.0028736 k( 96) = ( 0.7896840 -0.3683152 -0.8773424), wk = 0.0028736 k( 97) = ( 0.7842183 -0.3588399 -0.8592607), wk = 0.0028736 k( 98) = ( 0.7787526 -0.3493647 -0.8411790), wk = 0.0028736 k( 99) = ( 0.7732868 -0.3398894 -0.8230973), wk = 0.0028736 k( 100) = ( 0.7678211 -0.3304142 -0.8050156), wk = 0.0028736 k( 101) = ( 0.7623554 -0.3209389 -0.7869339), wk = 0.0028736 k( 102) = ( 0.7568896 -0.3114637 -0.7688522), wk = 0.0028736 k( 103) = ( 0.7514239 -0.3019884 -0.7507705), wk = 0.0028736 k( 104) = ( 0.7459582 -0.2925132 -0.7326889), wk = 0.0028736 k( 105) = ( 0.7404924 -0.2830380 -0.7146072), wk = 0.0028736 k( 106) = ( 0.7350267 -0.2735627 -0.6965254), wk = 0.0028736 k( 107) = ( 0.7295609 -0.2640875 -0.6784437), wk = 0.0028736 k( 108) = ( 0.7240952 -0.2546122 -0.6603621), wk = 0.0028736 k( 109) = ( 0.7186295 -0.2451370 -0.6422804), wk = 0.0028736 k( 110) = ( 0.7131637 -0.2356617 -0.6241987), wk = 0.0028736 k( 111) = ( 0.7076980 -0.2261865 -0.6061170), wk = 0.0028736 k( 112) = ( 0.7022323 -0.2167112 -0.5880353), wk = 0.0028736 k( 113) = ( 0.6967665 -0.2072360 -0.5699536), wk = 0.0028736 k( 114) = ( 0.6913008 -0.1977608 -0.5518719), wk = 0.0028736 k( 115) = ( 0.6858351 -0.1882855 -0.5337902), wk = 0.0028736 k( 116) = ( 0.6803693 -0.1788103 -0.5157085), wk = 0.0028736 k( 117) = ( 0.6749036 -0.1693350 -0.4976268), wk = 0.0028736 k( 118) = ( 0.6694378 -0.1598598 -0.4795451), wk = 0.0028736 k( 119) = ( 0.6639721 -0.1503845 -0.4614634), wk = 0.0028736 k( 120) = ( 0.6585064 -0.1409093 -0.4433817), wk = 0.0028736 k( 121) = ( 0.6530406 -0.1314340 -0.4253000), wk = 0.0028736 k( 122) = ( 0.6475749 -0.1219588 -0.4072183), wk = 0.0028736 k( 123) = ( 0.6421092 -0.1124836 -0.3891366), wk = 0.0028736 k( 124) = ( 0.6366434 -0.1030083 -0.3710549), wk = 0.0028736 k( 125) = ( 0.6311777 -0.0935331 -0.3529732), wk = 0.0028736 k( 126) = ( 0.6257120 -0.0840578 -0.3348915), wk = 0.0028736 k( 127) = ( 0.6202462 -0.0745826 -0.3168098), wk = 0.0028736 k( 128) = ( 0.6147805 -0.0651073 -0.2987281), wk = 0.0028736 k( 129) = ( 0.6093147 -0.0556321 -0.2806465), wk = 0.0028736 k( 130) = ( 0.6038490 -0.0461568 -0.2625648), wk = 0.0028736 k( 131) = ( 0.5983833 -0.0366816 -0.2444830), wk = 0.0028736 k( 132) = ( 0.5929175 -0.0272064 -0.2264014), wk = 0.0028736 k( 133) = ( 0.5874518 -0.0177311 -0.2083197), wk = 0.0028736 k( 134) = ( 0.5819861 -0.0082559 -0.1902380), wk = 0.0028736 k( 135) = ( 0.5765203 0.0012194 -0.1721563), wk = 0.0028736 k( 136) = ( 0.5710546 0.0106946 -0.1540746), wk = 0.0028736 k( 137) = ( 0.5655888 0.0201699 -0.1359929), wk = 0.0028736 k( 138) = ( 0.5601231 0.0296451 -0.1179112), wk = 0.0028736 k( 139) = ( 0.5546574 0.0391204 -0.0998295), wk = 0.0028736 k( 140) = ( 0.5491916 0.0485956 -0.0817478), wk = 0.0028736 k( 141) = ( 0.5437259 0.0580709 -0.0636661), wk = 0.0028736 k( 142) = ( 0.5382602 0.0675461 -0.0455844), wk = 0.0028736 k( 143) = ( 0.5327944 0.0770213 -0.0275027), wk = 0.0028736 k( 144) = ( 0.5273287 0.0864966 -0.0094210), wk = 0.0028736 k( 145) = ( 0.5218630 0.0959718 0.0086607), wk = 0.0028736 k( 146) = ( 0.5163972 0.1054471 0.0267424), wk = 0.0028736 k( 147) = ( 0.5109315 0.1149223 0.0448241), wk = 0.0028736 k( 148) = ( 0.5054657 0.1243976 0.0629058), wk = 0.0028736 k( 149) = ( 0.5000000 0.1338728 0.0809875), wk = 0.0028736 k( 150) = ( 0.5000000 0.1338728 0.0809875), wk = 0.0028736 k( 151) = ( 0.4800000 0.1285179 0.0777480), wk = 0.0028736 k( 152) = ( 0.4600000 0.1231630 0.0745085), wk = 0.0028736 k( 153) = ( 0.4400000 0.1178081 0.0712690), wk = 0.0028736 k( 154) = ( 0.4200000 0.1124532 0.0680295), wk = 0.0028736 k( 155) = ( 0.4000000 0.1070982 0.0647900), wk = 0.0028736 k( 156) = ( 0.3800000 0.1017433 0.0615505), wk = 0.0028736 k( 157) = ( 0.3600000 0.0963884 0.0583110), wk = 0.0028736 k( 158) = ( 0.3400000 0.0910335 0.0550715), wk = 0.0028736 k( 159) = ( 0.3200000 0.0856786 0.0518320), wk = 0.0028736 k( 160) = ( 0.3000000 0.0803237 0.0485925), wk = 0.0028736 k( 161) = ( 0.2800000 0.0749688 0.0453530), wk = 0.0028736 k( 162) = ( 0.2600000 0.0696139 0.0421135), wk = 0.0028736 k( 163) = ( 0.2400000 0.0642589 0.0388740), wk = 0.0028736 k( 164) = ( 0.2200000 0.0589040 0.0356345), wk = 0.0028736 k( 165) = ( 0.2000000 0.0535491 0.0323950), wk = 0.0028736 k( 166) = ( 0.1800000 0.0481942 0.0291555), wk = 0.0028736 k( 167) = ( 0.1600000 0.0428393 0.0259160), wk = 0.0028736 k( 168) = ( 0.1400000 0.0374844 0.0226765), wk = 0.0028736 k( 169) = ( 0.1200000 0.0321295 0.0194370), wk = 0.0028736 k( 170) = ( 0.1000000 0.0267746 0.0161975), wk = 0.0028736 k( 171) = ( 0.0800000 0.0214196 0.0129580), wk = 0.0028736 k( 172) = ( 0.0600000 0.0160647 0.0097185), wk = 0.0028736 k( 173) = ( 0.0400000 0.0107098 0.0064790), wk = 0.0028736 k( 174) = ( 0.0200000 0.0053549 0.0032395), wk = 0.0028736 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 177) = ( 0.0054205 -0.0093969 -0.0179321), wk = 0.0028736 k( 178) = ( 0.0108411 -0.0187938 -0.0358643), wk = 0.0028736 k( 179) = ( 0.0162616 -0.0281906 -0.0537965), wk = 0.0028736 k( 180) = ( 0.0216821 -0.0375875 -0.0717286), wk = 0.0028736 k( 181) = ( 0.0271027 -0.0469844 -0.0896608), wk = 0.0028736 k( 182) = ( 0.0325232 -0.0563813 -0.1075929), wk = 0.0028736 k( 183) = ( 0.0379437 -0.0657782 -0.1255251), wk = 0.0028736 k( 184) = ( 0.0433643 -0.0751751 -0.1434572), wk = 0.0028736 k( 185) = ( 0.0487848 -0.0845719 -0.1613894), wk = 0.0028736 k( 186) = ( 0.0542053 -0.0939688 -0.1793216), wk = 0.0028736 k( 187) = ( 0.0596259 -0.1033657 -0.1972537), wk = 0.0028736 k( 188) = ( 0.0650464 -0.1127626 -0.2151859), wk = 0.0028736 k( 189) = ( 0.0704669 -0.1221595 -0.2331180), wk = 0.0028736 k( 190) = ( 0.0758875 -0.1315563 -0.2510502), wk = 0.0028736 k( 191) = ( 0.0813080 -0.1409532 -0.2689823), wk = 0.0028736 k( 192) = ( 0.0867285 -0.1503501 -0.2869145), wk = 0.0028736 k( 193) = ( 0.0921491 -0.1597470 -0.3048467), wk = 0.0028736 k( 194) = ( 0.0975696 -0.1691439 -0.3227788), wk = 0.0028736 k( 195) = ( 0.1029901 -0.1785408 -0.3407110), wk = 0.0028736 k( 196) = ( 0.1084107 -0.1879376 -0.3586431), wk = 0.0028736 k( 197) = ( 0.1138312 -0.1973345 -0.3765753), wk = 0.0028736 k( 198) = ( 0.1192517 -0.2067314 -0.3945074), wk = 0.0028736 k( 199) = ( 0.1246723 -0.2161283 -0.4124396), wk = 0.0028736 k( 200) = ( 0.1300928 -0.2255252 -0.4303717), wk = 0.0028736 k( 201) = ( 0.1355134 -0.2349221 -0.4483039), wk = 0.0028736 k( 202) = ( 0.1409339 -0.2443189 -0.4662361), wk = 0.0028736 k( 203) = ( 0.1463544 -0.2537158 -0.4841682), wk = 0.0028736 k( 204) = ( 0.1517749 -0.2631127 -0.5021004), wk = 0.0028736 k( 205) = ( 0.1571955 -0.2725096 -0.5200325), wk = 0.0028736 k( 206) = ( 0.1626160 -0.2819065 -0.5379647), wk = 0.0028736 k( 207) = ( 0.1680366 -0.2913033 -0.5558968), wk = 0.0028736 k( 208) = ( 0.1734571 -0.3007002 -0.5738290), wk = 0.0028736 k( 209) = ( 0.1788776 -0.3100971 -0.5917612), wk = 0.0028736 k( 210) = ( 0.1842981 -0.3194940 -0.6096933), wk = 0.0028736 k( 211) = ( 0.1897187 -0.3288909 -0.6276255), wk = 0.0028736 k( 212) = ( 0.1951392 -0.3382878 -0.6455576), wk = 0.0028736 k( 213) = ( 0.2005598 -0.3476846 -0.6634898), wk = 0.0028736 k( 214) = ( 0.2059803 -0.3570815 -0.6814219), wk = 0.0028736 k( 215) = ( 0.2114008 -0.3664784 -0.6993541), wk = 0.0028736 k( 216) = ( 0.2168213 -0.3758753 -0.7172862), wk = 0.0028736 k( 217) = ( 0.2222419 -0.3852722 -0.7352184), wk = 0.0028736 k( 218) = ( 0.2276624 -0.3946690 -0.7531505), wk = 0.0028736 k( 219) = ( 0.2330830 -0.4040659 -0.7710827), wk = 0.0028736 k( 220) = ( 0.2385035 -0.4134628 -0.7890149), wk = 0.0028736 k( 221) = ( 0.2439240 -0.4228597 -0.8069470), wk = 0.0028736 k( 222) = ( 0.2493446 -0.4322566 -0.8248792), wk = 0.0028736 k( 223) = ( 0.2547651 -0.4416535 -0.8428113), wk = 0.0028736 k( 224) = ( 0.2601856 -0.4510504 -0.8607435), wk = 0.0028736 k( 225) = ( 0.2656062 -0.4604472 -0.8786756), wk = 0.0028736 k( 226) = ( 0.2710267 -0.4698441 -0.8966078), wk = 0.0028736 k( 227) = ( 0.2764472 -0.4792410 -0.9145400), wk = 0.0028736 k( 228) = ( 0.2818678 -0.4886379 -0.9324721), wk = 0.0028736 k( 229) = ( 0.2872883 -0.4980347 -0.9504042), wk = 0.0028736 k( 230) = ( 0.2927088 -0.5074316 -0.9683364), wk = 0.0028736 k( 231) = ( 0.2981294 -0.5168285 -0.9862686), wk = 0.0028736 k( 232) = ( 0.3035499 -0.5262254 -1.0042007), wk = 0.0028736 k( 233) = ( 0.3089704 -0.5356223 -1.0221329), wk = 0.0028736 k( 234) = ( 0.3143910 -0.5450192 -1.0400650), wk = 0.0028736 k( 235) = ( 0.3198115 -0.5544161 -1.0579972), wk = 0.0028736 k( 236) = ( 0.3252320 -0.5638129 -1.0759293), wk = 0.0028736 k( 237) = ( 0.3306526 -0.5732098 -1.0938615), wk = 0.0028736 k( 238) = ( 0.3360731 -0.5826067 -1.1117937), wk = 0.0028736 k( 239) = ( 0.3414936 -0.5920036 -1.1297258), wk = 0.0028736 k( 240) = ( 0.6585064 -0.4581308 -1.0487384), wk = 0.0028736 k( 241) = ( 0.6530406 -0.4377168 -1.0487384), wk = 0.0028736 k( 242) = ( 0.6475749 -0.4173029 -1.0487384), wk = 0.0028736 k( 243) = ( 0.6421092 -0.3968890 -1.0487384), wk = 0.0028736 k( 244) = ( 0.6366434 -0.3764751 -1.0487384), wk = 0.0028736 k( 245) = ( 0.6311777 -0.3560612 -1.0487384), wk = 0.0028736 k( 246) = ( 0.6257120 -0.3356473 -1.0487384), wk = 0.0028736 k( 247) = ( 0.6202462 -0.3152334 -1.0487384), wk = 0.0028736 k( 248) = ( 0.6147805 -0.2948194 -1.0487384), wk = 0.0028736 k( 249) = ( 0.6093147 -0.2744055 -1.0487384), wk = 0.0028736 k( 250) = ( 0.6038490 -0.2539916 -1.0487384), wk = 0.0028736 k( 251) = ( 0.5983833 -0.2335777 -1.0487384), wk = 0.0028736 k( 252) = ( 0.5929175 -0.2131638 -1.0487384), wk = 0.0028736 k( 253) = ( 0.5874518 -0.1927499 -1.0487384), wk = 0.0028736 k( 254) = ( 0.5819861 -0.1723359 -1.0487384), wk = 0.0028736 k( 255) = ( 0.5765203 -0.1519220 -1.0487384), wk = 0.0028736 k( 256) = ( 0.5710546 -0.1315081 -1.0487384), wk = 0.0028736 k( 257) = ( 0.5655888 -0.1110942 -1.0487384), wk = 0.0028736 k( 258) = ( 0.5601231 -0.0906803 -1.0487384), wk = 0.0028736 k( 259) = ( 0.5546574 -0.0702664 -1.0487384), wk = 0.0028736 k( 260) = ( 0.5491916 -0.0498524 -1.0487384), wk = 0.0028736 k( 261) = ( 0.5437259 -0.0294385 -1.0487384), wk = 0.0028736 k( 262) = ( 0.5382602 -0.0090246 -1.0487384), wk = 0.0028736 k( 263) = ( 0.5327944 0.0113893 -1.0487384), wk = 0.0028736 k( 264) = ( 0.5273287 0.0318032 -1.0487384), wk = 0.0028736 k( 265) = ( 0.5218630 0.0522171 -1.0487384), wk = 0.0028736 k( 266) = ( 0.5163972 0.0726311 -1.0487384), wk = 0.0028736 k( 267) = ( 0.5109315 0.0930450 -1.0487384), wk = 0.0028736 k( 268) = ( 0.5054657 0.1134589 -1.0487384), wk = 0.0028736 k( 269) = ( 0.5000000 0.1338728 -1.0487384), wk = 0.0028736 k( 270) = ( 0.5000000 0.1338728 -1.0487384), wk = 0.0028736 k( 271) = ( 0.5176118 0.1385883 -1.0397397), wk = 0.0028736 k( 272) = ( 0.5352236 0.1433038 -1.0307411), wk = 0.0028736 k( 273) = ( 0.5528355 0.1480193 -1.0217425), wk = 0.0028736 k( 274) = ( 0.5704473 0.1527348 -1.0127439), wk = 0.0028736 k( 275) = ( 0.5880591 0.1574502 -1.0037453), wk = 0.0028736 k( 276) = ( 0.6056709 0.1621657 -0.9947467), wk = 0.0028736 k( 277) = ( 0.6232827 0.1668812 -0.9857481), wk = 0.0028736 k( 278) = ( 0.6408945 0.1715967 -0.9767495), wk = 0.0028736 k( 279) = ( 0.6585064 0.1763122 -0.9677509), wk = 0.0028736 k( 280) = ( 0.6585064 0.1763122 -0.9677509), wk = 0.0028736 k( 281) = ( 0.6553362 0.1754634 -0.9467761), wk = 0.0028736 k( 282) = ( 0.6521661 0.1746146 -0.9258013), wk = 0.0028736 k( 283) = ( 0.6489960 0.1737658 -0.9048266), wk = 0.0028736 k( 284) = ( 0.6458259 0.1729170 -0.8838518), wk = 0.0028736 k( 285) = ( 0.6426557 0.1720683 -0.8628771), wk = 0.0028736 k( 286) = ( 0.6394856 0.1712195 -0.8419023), wk = 0.0028736 k( 287) = ( 0.6363155 0.1703707 -0.8209275), wk = 0.0028736 k( 288) = ( 0.6331454 0.1695219 -0.7999528), wk = 0.0028736 k( 289) = ( 0.6299752 0.1686731 -0.7789780), wk = 0.0028736 k( 290) = ( 0.6268051 0.1678243 -0.7580032), wk = 0.0028736 k( 291) = ( 0.6236350 0.1669755 -0.7370285), wk = 0.0028736 k( 292) = ( 0.6204648 0.1661267 -0.7160537), wk = 0.0028736 k( 293) = ( 0.6172947 0.1652780 -0.6950789), wk = 0.0028736 k( 294) = ( 0.6141246 0.1644292 -0.6741041), wk = 0.0028736 k( 295) = ( 0.6109545 0.1635804 -0.6531294), wk = 0.0028736 k( 296) = ( 0.6077843 0.1627316 -0.6321546), wk = 0.0028736 k( 297) = ( 0.6046142 0.1618828 -0.6111798), wk = 0.0028736 k( 298) = ( 0.6014441 0.1610340 -0.5902051), wk = 0.0028736 k( 299) = ( 0.5982740 0.1601852 -0.5692303), wk = 0.0028736 k( 300) = ( 0.5951038 0.1593364 -0.5482555), wk = 0.0028736 k( 301) = ( 0.5919337 0.1584877 -0.5272808), wk = 0.0028736 k( 302) = ( 0.5887636 0.1576389 -0.5063060), wk = 0.0028736 k( 303) = ( 0.5855934 0.1567901 -0.4853313), wk = 0.0028736 k( 304) = ( 0.5824233 0.1559413 -0.4643565), wk = 0.0028736 k( 305) = ( 0.5792532 0.1550925 -0.4433817), wk = 0.0028736 k( 306) = ( 0.5760831 0.1542437 -0.4224069), wk = 0.0028736 k( 307) = ( 0.5729129 0.1533949 -0.4014322), wk = 0.0028736 k( 308) = ( 0.5697428 0.1525461 -0.3804574), wk = 0.0028736 k( 309) = ( 0.5665727 0.1516974 -0.3594826), wk = 0.0028736 k( 310) = ( 0.5634025 0.1508486 -0.3385079), wk = 0.0028736 k( 311) = ( 0.5602324 0.1499998 -0.3175331), wk = 0.0028736 k( 312) = ( 0.5570623 0.1491510 -0.2965583), wk = 0.0028736 k( 313) = ( 0.5538922 0.1483022 -0.2755836), wk = 0.0028736 k( 314) = ( 0.5507220 0.1474534 -0.2546088), wk = 0.0028736 k( 315) = ( 0.5475519 0.1466046 -0.2336340), wk = 0.0028736 k( 316) = ( 0.5443818 0.1457558 -0.2126593), wk = 0.0028736 k( 317) = ( 0.5412117 0.1449071 -0.1916845), wk = 0.0028736 k( 318) = ( 0.5380415 0.1440583 -0.1707098), wk = 0.0028736 k( 319) = ( 0.5348714 0.1432095 -0.1497350), wk = 0.0028736 k( 320) = ( 0.5317013 0.1423607 -0.1287602), wk = 0.0028736 k( 321) = ( 0.5285311 0.1415119 -0.1077854), wk = 0.0028736 k( 322) = ( 0.5253610 0.1406631 -0.0868107), wk = 0.0028736 k( 323) = ( 0.5221909 0.1398143 -0.0658359), wk = 0.0028736 k( 324) = ( 0.5190208 0.1389655 -0.0448611), wk = 0.0028736 k( 325) = ( 0.5158506 0.1381168 -0.0238864), wk = 0.0028736 k( 326) = ( 0.5126805 0.1372680 -0.0029116), wk = 0.0028736 k( 327) = ( 0.5095104 0.1364192 0.0180632), wk = 0.0028736 k( 328) = ( 0.5063403 0.1355704 0.0390379), wk = 0.0028736 k( 329) = ( 0.5031701 0.1347216 0.0600127), wk = 0.0028736 k( 330) = ( 0.5000000 0.1338728 0.0809875), wk = 0.0028736 k( 331) = ( 0.5000000 -0.8667857 -0.5243692), wk = 0.0028736 k( 332) = ( 0.5186478 -0.8589108 -0.5196052), wk = 0.0028736 k( 333) = ( 0.5372956 -0.8510359 -0.5148412), wk = 0.0028736 k( 334) = ( 0.5559434 -0.8431611 -0.5100773), wk = 0.0028736 k( 335) = ( 0.5745912 -0.8352862 -0.5053133), wk = 0.0028736 k( 336) = ( 0.5932390 -0.8274113 -0.5005493), wk = 0.0028736 k( 337) = ( 0.6118868 -0.8195365 -0.4957854), wk = 0.0028736 k( 338) = ( 0.6305346 -0.8116616 -0.4910214), wk = 0.0028736 k( 339) = ( 0.6491825 -0.8037867 -0.4862574), wk = 0.0028736 k( 340) = ( 0.6678303 -0.7959118 -0.4814935), wk = 0.0028736 k( 341) = ( 0.6864781 -0.7880370 -0.4767295), wk = 0.0028736 k( 342) = ( 0.7051259 -0.7801621 -0.4719655), wk = 0.0028736 k( 343) = ( 0.7237737 -0.7722872 -0.4672015), wk = 0.0028736 k( 344) = ( 0.7424215 -0.7644123 -0.4624376), wk = 0.0028736 k( 345) = ( 0.7610693 -0.7565375 -0.4576736), wk = 0.0028736 k( 346) = ( 0.7797171 -0.7486626 -0.4529097), wk = 0.0028736 k( 347) = ( 0.7983649 -0.7407877 -0.4481457), wk = 0.0028736 k( 348) = ( 0.8170127 -0.7329129 -0.4433817), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0092593 0.0000000 0.0000000), wk = 0.0028736 k( 3) = ( 0.0185185 0.0000000 0.0000000), wk = 0.0028736 k( 4) = ( 0.0277778 0.0000000 0.0000000), wk = 0.0028736 k( 5) = ( 0.0370370 0.0000000 0.0000000), wk = 0.0028736 k( 6) = ( 0.0462963 0.0000000 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0028736 k( 8) = ( 0.0648148 0.0000000 0.0000000), wk = 0.0028736 k( 9) = ( 0.0740741 0.0000000 0.0000000), wk = 0.0028736 k( 10) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.0925926 0.0000000 0.0000000), wk = 0.0028736 k( 12) = ( 0.1018518 0.0000000 0.0000000), wk = 0.0028736 k( 13) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1203704 0.0000000 0.0000000), wk = 0.0028736 k( 15) = ( 0.1296296 0.0000000 0.0000000), wk = 0.0028736 k( 16) = ( 0.1388889 0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1481482 0.0000000 -0.0000000), wk = 0.0028736 k( 18) = ( 0.1574074 0.0000000 0.0000000), wk = 0.0028736 k( 19) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0028736 k( 20) = ( 0.1759259 0.0000000 0.0000000), wk = 0.0028736 k( 21) = ( 0.1851852 0.0000000 -0.0000000), wk = 0.0028736 k( 22) = ( 0.1944444 0.0000000 0.0000000), wk = 0.0028736 k( 23) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0028736 k( 24) = ( 0.2129630 0.0000000 0.0000000), wk = 0.0028736 k( 25) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0028736 k( 26) = ( 0.2314815 0.0000000 -0.0000000), wk = 0.0028736 k( 27) = ( 0.2407407 0.0000000 0.0000000), wk = 0.0028736 k( 28) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0028736 k( 29) = ( 0.2592593 0.0000000 0.0000000), wk = 0.0028736 k( 30) = ( 0.2685185 0.0000000 0.0000000), wk = 0.0028736 k( 31) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.2870370 0.0000000 0.0000000), wk = 0.0028736 k( 33) = ( 0.2962963 0.0000000 -0.0000000), wk = 0.0028736 k( 34) = ( 0.3055556 0.0000000 0.0000000), wk = 0.0028736 k( 35) = ( 0.3148148 0.0000000 0.0000000), wk = 0.0028736 k( 36) = ( 0.3240741 0.0000000 0.0000000), wk = 0.0028736 k( 37) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0028736 k( 38) = ( 0.3425926 0.0000000 0.0000000), wk = 0.0028736 k( 39) = ( 0.3518519 0.0000000 0.0000000), wk = 0.0028736 k( 40) = ( 0.3611111 0.0000000 0.0000000), wk = 0.0028736 k( 41) = ( 0.3703704 0.0000000 0.0000000), wk = 0.0028736 k( 42) = ( 0.3796296 0.0000000 -0.0000000), wk = 0.0028736 k( 43) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0028736 k( 44) = ( 0.3981481 0.0000000 -0.0000000), wk = 0.0028736 k( 45) = ( 0.4074074 0.0000000 0.0000000), wk = 0.0028736 k( 46) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0028736 k( 47) = ( 0.4259259 0.0000000 0.0000000), wk = 0.0028736 k( 48) = ( 0.4351852 0.0000000 0.0000000), wk = 0.0028736 k( 49) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0028736 k( 50) = ( 0.4537037 0.0000000 0.0000000), wk = 0.0028736 k( 51) = ( 0.4629630 0.0000000 -0.0000000), wk = 0.0028736 k( 52) = ( 0.4722222 0.0000000 -0.0000000), wk = 0.0028736 k( 53) = ( 0.4814815 0.0000000 0.0000000), wk = 0.0028736 k( 54) = ( 0.4907407 0.0000000 0.0000000), wk = 0.0028736 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 57) = ( 0.5000000 0.0053820 -0.0053820), wk = 0.0028736 k( 58) = ( 0.5000000 0.0107640 -0.0107640), wk = 0.0028736 k( 59) = ( 0.5000000 0.0161459 -0.0161459), wk = 0.0028736 k( 60) = ( 0.5000000 0.0215279 -0.0215279), wk = 0.0028736 k( 61) = ( 0.5000000 0.0269099 -0.0269099), wk = 0.0028736 k( 62) = ( 0.5000000 0.0322919 -0.0322919), wk = 0.0028736 k( 63) = ( 0.5000000 0.0376739 -0.0376738), wk = 0.0028736 k( 64) = ( 0.5000000 0.0430558 -0.0430558), wk = 0.0028736 k( 65) = ( 0.5000000 0.0484378 -0.0484378), wk = 0.0028736 k( 66) = ( 0.5000000 0.0538198 -0.0538198), wk = 0.0028736 k( 67) = ( 0.5000000 0.0592018 -0.0592018), wk = 0.0028736 k( 68) = ( 0.5000000 0.0645837 -0.0645837), wk = 0.0028736 k( 69) = ( 0.5000000 0.0699657 -0.0699657), wk = 0.0028736 k( 70) = ( 0.5000000 0.0753477 -0.0753477), wk = 0.0028736 k( 71) = ( 0.5000000 0.0807297 -0.0807297), wk = 0.0028736 k( 72) = ( 0.5000000 0.0861117 -0.0861116), wk = 0.0028736 k( 73) = ( 0.5000000 0.0914936 -0.0914936), wk = 0.0028736 k( 74) = ( 0.5000000 0.0968756 -0.0968756), wk = 0.0028736 k( 75) = ( 0.5000000 0.1022576 -0.1022576), wk = 0.0028736 k( 76) = ( 0.5000000 0.1076396 -0.1076396), wk = 0.0028736 k( 77) = ( 0.5000000 0.1130216 -0.1130215), wk = 0.0028736 k( 78) = ( 0.5000000 0.1184035 -0.1184035), wk = 0.0028736 k( 79) = ( 0.5000000 0.1237855 -0.1237855), wk = 0.0028736 k( 80) = ( 0.5000000 0.1291675 -0.1291675), wk = 0.0028736 k( 81) = ( 0.5000000 0.1345495 -0.1345495), wk = 0.0028736 k( 82) = ( 0.5000000 0.1399314 -0.1399314), wk = 0.0028736 k( 83) = ( 0.5000000 0.1453134 -0.1453134), wk = 0.0028736 k( 84) = ( 0.5000000 0.1506954 -0.1506954), wk = 0.0028736 k( 85) = ( 0.5000000 0.1560774 -0.1560774), wk = 0.0028736 k( 86) = ( 0.5000000 0.1614594 -0.1614593), wk = 0.0028736 k( 87) = ( 0.5000000 0.1668413 -0.1668413), wk = 0.0028736 k( 88) = ( 0.5000000 0.1722233 -0.1722233), wk = 0.0028736 k( 89) = ( 0.5000000 0.1776053 -0.1776053), wk = 0.0028736 k( 90) = ( 0.5000000 0.1829873 -0.1829873), wk = 0.0028736 k( 91) = ( 0.8170127 0.5000000 0.1829873), wk = 0.0028736 k( 92) = ( 0.8115470 0.5000000 0.1884530), wk = 0.0028736 k( 93) = ( 0.8060813 0.5000000 0.1939187), wk = 0.0028736 k( 94) = ( 0.8006155 0.5000000 0.1993845), wk = 0.0028736 k( 95) = ( 0.7951498 0.5000000 0.2048502), wk = 0.0028736 k( 96) = ( 0.7896840 0.5000000 0.2103159), wk = 0.0028736 k( 97) = ( 0.7842183 0.5000000 0.2157817), wk = 0.0028736 k( 98) = ( 0.7787526 0.5000000 0.2212474), wk = 0.0028736 k( 99) = ( 0.7732868 0.5000000 0.2267132), wk = 0.0028736 k( 100) = ( 0.7678211 0.5000000 0.2321789), wk = 0.0028736 k( 101) = ( 0.7623554 0.5000000 0.2376446), wk = 0.0028736 k( 102) = ( 0.7568896 0.5000000 0.2431104), wk = 0.0028736 k( 103) = ( 0.7514239 0.5000000 0.2485761), wk = 0.0028736 k( 104) = ( 0.7459582 0.5000000 0.2540418), wk = 0.0028736 k( 105) = ( 0.7404924 0.5000000 0.2595076), wk = 0.0028736 k( 106) = ( 0.7350267 0.5000000 0.2649733), wk = 0.0028736 k( 107) = ( 0.7295609 0.5000000 0.2704391), wk = 0.0028736 k( 108) = ( 0.7240952 0.5000000 0.2759048), wk = 0.0028736 k( 109) = ( 0.7186295 0.5000000 0.2813705), wk = 0.0028736 k( 110) = ( 0.7131637 0.5000000 0.2868363), wk = 0.0028736 k( 111) = ( 0.7076980 0.5000000 0.2923020), wk = 0.0028736 k( 112) = ( 0.7022323 0.5000000 0.2977677), wk = 0.0028736 k( 113) = ( 0.6967665 0.5000000 0.3032335), wk = 0.0028736 k( 114) = ( 0.6913008 0.5000000 0.3086992), wk = 0.0028736 k( 115) = ( 0.6858351 0.5000000 0.3141649), wk = 0.0028736 k( 116) = ( 0.6803693 0.5000000 0.3196307), wk = 0.0028736 k( 117) = ( 0.6749036 0.5000000 0.3250964), wk = 0.0028736 k( 118) = ( 0.6694378 0.5000000 0.3305622), wk = 0.0028736 k( 119) = ( 0.6639721 0.5000000 0.3360279), wk = 0.0028736 k( 120) = ( 0.6585064 0.5000000 0.3414936), wk = 0.0028736 k( 121) = ( 0.6530406 0.5000000 0.3469594), wk = 0.0028736 k( 122) = ( 0.6475749 0.5000000 0.3524251), wk = 0.0028736 k( 123) = ( 0.6421092 0.5000000 0.3578908), wk = 0.0028736 k( 124) = ( 0.6366434 0.5000000 0.3633566), wk = 0.0028736 k( 125) = ( 0.6311777 0.5000000 0.3688223), wk = 0.0028736 k( 126) = ( 0.6257120 0.5000000 0.3742881), wk = 0.0028736 k( 127) = ( 0.6202462 0.5000000 0.3797538), wk = 0.0028736 k( 128) = ( 0.6147805 0.5000000 0.3852195), wk = 0.0028736 k( 129) = ( 0.6093147 0.5000000 0.3906853), wk = 0.0028736 k( 130) = ( 0.6038490 0.5000000 0.3961510), wk = 0.0028736 k( 131) = ( 0.5983833 0.5000000 0.4016167), wk = 0.0028736 k( 132) = ( 0.5929175 0.5000000 0.4070825), wk = 0.0028736 k( 133) = ( 0.5874518 0.5000000 0.4125482), wk = 0.0028736 k( 134) = ( 0.5819861 0.5000000 0.4180140), wk = 0.0028736 k( 135) = ( 0.5765203 0.5000000 0.4234797), wk = 0.0028736 k( 136) = ( 0.5710546 0.5000000 0.4289454), wk = 0.0028736 k( 137) = ( 0.5655888 0.5000000 0.4344112), wk = 0.0028736 k( 138) = ( 0.5601231 0.5000000 0.4398769), wk = 0.0028736 k( 139) = ( 0.5546574 0.5000000 0.4453426), wk = 0.0028736 k( 140) = ( 0.5491916 0.5000000 0.4508084), wk = 0.0028736 k( 141) = ( 0.5437259 0.5000000 0.4562741), wk = 0.0028736 k( 142) = ( 0.5382602 0.5000000 0.4617398), wk = 0.0028736 k( 143) = ( 0.5327944 0.5000000 0.4672056), wk = 0.0028736 k( 144) = ( 0.5273287 0.5000000 0.4726713), wk = 0.0028736 k( 145) = ( 0.5218630 0.5000000 0.4781371), wk = 0.0028736 k( 146) = ( 0.5163972 0.5000000 0.4836028), wk = 0.0028736 k( 147) = ( 0.5109315 0.5000000 0.4890685), wk = 0.0028736 k( 148) = ( 0.5054657 0.5000000 0.4945343), wk = 0.0028736 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0028736 k( 152) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0028736 k( 153) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0028736 k( 154) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0028736 k( 155) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028736 k( 156) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0028736 k( 157) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0028736 k( 158) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0028736 k( 159) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0028736 k( 160) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028736 k( 161) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0028736 k( 162) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0028736 k( 163) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0028736 k( 164) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0028736 k( 165) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028736 k( 166) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0028736 k( 167) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0028736 k( 168) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0028736 k( 169) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0028736 k( 170) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028736 k( 171) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0028736 k( 172) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0028736 k( 173) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0028736 k( 174) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0028736 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 177) = ( 0.0054205 0.0000000 -0.0054205), wk = 0.0028736 k( 178) = ( 0.0108411 0.0000000 -0.0108411), wk = 0.0028736 k( 179) = ( 0.0162616 0.0000000 -0.0162616), wk = 0.0028736 k( 180) = ( 0.0216821 0.0000000 -0.0216821), wk = 0.0028736 k( 181) = ( 0.0271027 0.0000000 -0.0271027), wk = 0.0028736 k( 182) = ( 0.0325232 0.0000000 -0.0325232), wk = 0.0028736 k( 183) = ( 0.0379437 0.0000000 -0.0379437), wk = 0.0028736 k( 184) = ( 0.0433643 0.0000000 -0.0433643), wk = 0.0028736 k( 185) = ( 0.0487848 0.0000000 -0.0487848), wk = 0.0028736 k( 186) = ( 0.0542053 0.0000000 -0.0542053), wk = 0.0028736 k( 187) = ( 0.0596259 0.0000000 -0.0596259), wk = 0.0028736 k( 188) = ( 0.0650464 0.0000000 -0.0650464), wk = 0.0028736 k( 189) = ( 0.0704669 0.0000000 -0.0704669), wk = 0.0028736 k( 190) = ( 0.0758875 0.0000000 -0.0758875), wk = 0.0028736 k( 191) = ( 0.0813080 0.0000000 -0.0813080), wk = 0.0028736 k( 192) = ( 0.0867285 0.0000000 -0.0867285), wk = 0.0028736 k( 193) = ( 0.0921491 0.0000000 -0.0921491), wk = 0.0028736 k( 194) = ( 0.0975696 0.0000000 -0.0975696), wk = 0.0028736 k( 195) = ( 0.1029901 0.0000000 -0.1029901), wk = 0.0028736 k( 196) = ( 0.1084107 0.0000000 -0.1084107), wk = 0.0028736 k( 197) = ( 0.1138312 0.0000000 -0.1138312), wk = 0.0028736 k( 198) = ( 0.1192517 0.0000000 -0.1192517), wk = 0.0028736 k( 199) = ( 0.1246723 0.0000000 -0.1246723), wk = 0.0028736 k( 200) = ( 0.1300928 0.0000000 -0.1300928), wk = 0.0028736 k( 201) = ( 0.1355134 0.0000000 -0.1355133), wk = 0.0028736 k( 202) = ( 0.1409339 0.0000000 -0.1409339), wk = 0.0028736 k( 203) = ( 0.1463544 0.0000000 -0.1463544), wk = 0.0028736 k( 204) = ( 0.1517749 0.0000000 -0.1517749), wk = 0.0028736 k( 205) = ( 0.1571955 0.0000000 -0.1571955), wk = 0.0028736 k( 206) = ( 0.1626160 0.0000000 -0.1626160), wk = 0.0028736 k( 207) = ( 0.1680366 0.0000000 -0.1680366), wk = 0.0028736 k( 208) = ( 0.1734571 0.0000000 -0.1734571), wk = 0.0028736 k( 209) = ( 0.1788776 0.0000000 -0.1788776), wk = 0.0028736 k( 210) = ( 0.1842981 0.0000000 -0.1842981), wk = 0.0028736 k( 211) = ( 0.1897187 0.0000000 -0.1897187), wk = 0.0028736 k( 212) = ( 0.1951392 0.0000000 -0.1951392), wk = 0.0028736 k( 213) = ( 0.2005598 0.0000000 -0.2005598), wk = 0.0028736 k( 214) = ( 0.2059803 0.0000000 -0.2059803), wk = 0.0028736 k( 215) = ( 0.2114008 0.0000000 -0.2114008), wk = 0.0028736 k( 216) = ( 0.2168213 0.0000000 -0.2168213), wk = 0.0028736 k( 217) = ( 0.2222419 0.0000000 -0.2222419), wk = 0.0028736 k( 218) = ( 0.2276624 0.0000000 -0.2276624), wk = 0.0028736 k( 219) = ( 0.2330830 0.0000000 -0.2330830), wk = 0.0028736 k( 220) = ( 0.2385035 0.0000000 -0.2385035), wk = 0.0028736 k( 221) = ( 0.2439240 0.0000000 -0.2439240), wk = 0.0028736 k( 222) = ( 0.2493446 0.0000000 -0.2493446), wk = 0.0028736 k( 223) = ( 0.2547651 0.0000000 -0.2547651), wk = 0.0028736 k( 224) = ( 0.2601856 0.0000000 -0.2601856), wk = 0.0028736 k( 225) = ( 0.2656062 0.0000000 -0.2656062), wk = 0.0028736 k( 226) = ( 0.2710267 0.0000000 -0.2710267), wk = 0.0028736 k( 227) = ( 0.2764472 0.0000000 -0.2764472), wk = 0.0028736 k( 228) = ( 0.2818678 0.0000000 -0.2818678), wk = 0.0028736 k( 229) = ( 0.2872883 0.0000000 -0.2872883), wk = 0.0028736 k( 230) = ( 0.2927088 0.0000000 -0.2927088), wk = 0.0028736 k( 231) = ( 0.2981294 0.0000000 -0.2981294), wk = 0.0028736 k( 232) = ( 0.3035499 0.0000000 -0.3035499), wk = 0.0028736 k( 233) = ( 0.3089704 0.0000000 -0.3089704), wk = 0.0028736 k( 234) = ( 0.3143910 0.0000000 -0.3143910), wk = 0.0028736 k( 235) = ( 0.3198115 0.0000000 -0.3198115), wk = 0.0028736 k( 236) = ( 0.3252320 0.0000000 -0.3252320), wk = 0.0028736 k( 237) = ( 0.3306526 0.0000000 -0.3306526), wk = 0.0028736 k( 238) = ( 0.3360731 0.0000000 -0.3360731), wk = 0.0028736 k( 239) = ( 0.3414936 0.0000000 -0.3414936), wk = 0.0028736 k( 240) = ( 0.6585064 0.3414936 0.0000000), wk = 0.0028736 k( 241) = ( 0.6530406 0.3469594 0.0000000), wk = 0.0028736 k( 242) = ( 0.6475749 0.3524251 0.0000000), wk = 0.0028736 k( 243) = ( 0.6421092 0.3578908 -0.0000000), wk = 0.0028736 k( 244) = ( 0.6366434 0.3633566 -0.0000000), wk = 0.0028736 k( 245) = ( 0.6311777 0.3688223 -0.0000000), wk = 0.0028736 k( 246) = ( 0.6257120 0.3742881 0.0000000), wk = 0.0028736 k( 247) = ( 0.6202462 0.3797538 0.0000000), wk = 0.0028736 k( 248) = ( 0.6147805 0.3852195 0.0000000), wk = 0.0028736 k( 249) = ( 0.6093147 0.3906853 -0.0000000), wk = 0.0028736 k( 250) = ( 0.6038490 0.3961510 -0.0000000), wk = 0.0028736 k( 251) = ( 0.5983833 0.4016167 0.0000000), wk = 0.0028736 k( 252) = ( 0.5929175 0.4070825 0.0000000), wk = 0.0028736 k( 253) = ( 0.5874518 0.4125482 0.0000000), wk = 0.0028736 k( 254) = ( 0.5819861 0.4180140 -0.0000000), wk = 0.0028736 k( 255) = ( 0.5765203 0.4234797 0.0000000), wk = 0.0028736 k( 256) = ( 0.5710546 0.4289454 0.0000000), wk = 0.0028736 k( 257) = ( 0.5655888 0.4344112 -0.0000000), wk = 0.0028736 k( 258) = ( 0.5601231 0.4398769 0.0000000), wk = 0.0028736 k( 259) = ( 0.5546574 0.4453426 0.0000000), wk = 0.0028736 k( 260) = ( 0.5491916 0.4508084 0.0000000), wk = 0.0028736 k( 261) = ( 0.5437259 0.4562741 0.0000000), wk = 0.0028736 k( 262) = ( 0.5382602 0.4617398 0.0000000), wk = 0.0028736 k( 263) = ( 0.5327944 0.4672056 0.0000000), wk = 0.0028736 k( 264) = ( 0.5273287 0.4726713 0.0000000), wk = 0.0028736 k( 265) = ( 0.5218630 0.4781371 0.0000000), wk = 0.0028736 k( 266) = ( 0.5163972 0.4836028 0.0000000), wk = 0.0028736 k( 267) = ( 0.5109315 0.4890685 -0.0000000), wk = 0.0028736 k( 268) = ( 0.5054657 0.4945343 -0.0000000), wk = 0.0028736 k( 269) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 270) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 271) = ( 0.5176118 0.5176118 0.0203319), wk = 0.0028736 k( 272) = ( 0.5352236 0.5352236 0.0406638), wk = 0.0028736 k( 273) = ( 0.5528355 0.5528355 0.0609958), wk = 0.0028736 k( 274) = ( 0.5704473 0.5704473 0.0813277), wk = 0.0028736 k( 275) = ( 0.5880591 0.5880591 0.1016596), wk = 0.0028736 k( 276) = ( 0.6056709 0.6056709 0.1219915), wk = 0.0028736 k( 277) = ( 0.6232827 0.6232827 0.1423234), wk = 0.0028736 k( 278) = ( 0.6408945 0.6408946 0.1626554), wk = 0.0028736 k( 279) = ( 0.6585064 0.6585064 0.1829873), wk = 0.0028736 k( 280) = ( 0.6585064 0.6585064 0.1829873), wk = 0.0028736 k( 281) = ( 0.6553362 0.6553362 0.1893275), wk = 0.0028736 k( 282) = ( 0.6521661 0.6521661 0.1956678), wk = 0.0028736 k( 283) = ( 0.6489960 0.6489960 0.2020080), wk = 0.0028736 k( 284) = ( 0.6458259 0.6458259 0.2083483), wk = 0.0028736 k( 285) = ( 0.6426557 0.6426557 0.2146885), wk = 0.0028736 k( 286) = ( 0.6394856 0.6394856 0.2210288), wk = 0.0028736 k( 287) = ( 0.6363155 0.6363155 0.2273690), wk = 0.0028736 k( 288) = ( 0.6331454 0.6331454 0.2337093), wk = 0.0028736 k( 289) = ( 0.6299752 0.6299752 0.2400496), wk = 0.0028736 k( 290) = ( 0.6268051 0.6268051 0.2463898), wk = 0.0028736 k( 291) = ( 0.6236350 0.6236350 0.2527301), wk = 0.0028736 k( 292) = ( 0.6204648 0.6204648 0.2590703), wk = 0.0028736 k( 293) = ( 0.6172947 0.6172947 0.2654106), wk = 0.0028736 k( 294) = ( 0.6141246 0.6141246 0.2717508), wk = 0.0028736 k( 295) = ( 0.6109545 0.6109545 0.2780911), wk = 0.0028736 k( 296) = ( 0.6077843 0.6077843 0.2844313), wk = 0.0028736 k( 297) = ( 0.6046142 0.6046142 0.2907716), wk = 0.0028736 k( 298) = ( 0.6014441 0.6014441 0.2971119), wk = 0.0028736 k( 299) = ( 0.5982740 0.5982740 0.3034521), wk = 0.0028736 k( 300) = ( 0.5951038 0.5951038 0.3097924), wk = 0.0028736 k( 301) = ( 0.5919337 0.5919337 0.3161326), wk = 0.0028736 k( 302) = ( 0.5887636 0.5887636 0.3224729), wk = 0.0028736 k( 303) = ( 0.5855934 0.5855934 0.3288131), wk = 0.0028736 k( 304) = ( 0.5824233 0.5824233 0.3351534), wk = 0.0028736 k( 305) = ( 0.5792532 0.5792532 0.3414936), wk = 0.0028736 k( 306) = ( 0.5760831 0.5760831 0.3478339), wk = 0.0028736 k( 307) = ( 0.5729129 0.5729129 0.3541741), wk = 0.0028736 k( 308) = ( 0.5697428 0.5697428 0.3605144), wk = 0.0028736 k( 309) = ( 0.5665727 0.5665727 0.3668546), wk = 0.0028736 k( 310) = ( 0.5634025 0.5634025 0.3731949), wk = 0.0028736 k( 311) = ( 0.5602324 0.5602324 0.3795352), wk = 0.0028736 k( 312) = ( 0.5570623 0.5570623 0.3858754), wk = 0.0028736 k( 313) = ( 0.5538922 0.5538922 0.3922157), wk = 0.0028736 k( 314) = ( 0.5507220 0.5507220 0.3985559), wk = 0.0028736 k( 315) = ( 0.5475519 0.5475519 0.4048962), wk = 0.0028736 k( 316) = ( 0.5443818 0.5443818 0.4112364), wk = 0.0028736 k( 317) = ( 0.5412117 0.5412117 0.4175767), wk = 0.0028736 k( 318) = ( 0.5380415 0.5380415 0.4239169), wk = 0.0028736 k( 319) = ( 0.5348714 0.5348714 0.4302572), wk = 0.0028736 k( 320) = ( 0.5317013 0.5317013 0.4365974), wk = 0.0028736 k( 321) = ( 0.5285311 0.5285311 0.4429377), wk = 0.0028736 k( 322) = ( 0.5253610 0.5253610 0.4492780), wk = 0.0028736 k( 323) = ( 0.5221909 0.5221909 0.4556182), wk = 0.0028736 k( 324) = ( 0.5190208 0.5190208 0.4619585), wk = 0.0028736 k( 325) = ( 0.5158506 0.5158506 0.4682987), wk = 0.0028736 k( 326) = ( 0.5126805 0.5126805 0.4746390), wk = 0.0028736 k( 327) = ( 0.5095104 0.5095104 0.4809792), wk = 0.0028736 k( 328) = ( 0.5063403 0.5063403 0.4873195), wk = 0.0028736 k( 329) = ( 0.5031701 0.5031701 0.4936598), wk = 0.0028736 k( 330) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 331) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 332) = ( 0.5186478 0.0200879 0.0200879), wk = 0.0028736 k( 333) = ( 0.5372956 0.0401757 0.0401757), wk = 0.0028736 k( 334) = ( 0.5559434 0.0602636 0.0602636), wk = 0.0028736 k( 335) = ( 0.5745912 0.0803514 0.0803514), wk = 0.0028736 k( 336) = ( 0.5932390 0.1004393 0.1004393), wk = 0.0028736 k( 337) = ( 0.6118868 0.1205272 0.1205272), wk = 0.0028736 k( 338) = ( 0.6305346 0.1406150 0.1406150), wk = 0.0028736 k( 339) = ( 0.6491825 0.1607029 0.1607029), wk = 0.0028736 k( 340) = ( 0.6678303 0.1807908 0.1807908), wk = 0.0028736 k( 341) = ( 0.6864781 0.2008786 0.2008786), wk = 0.0028736 k( 342) = ( 0.7051259 0.2209665 0.2209665), wk = 0.0028736 k( 343) = ( 0.7237737 0.2410543 0.2410543), wk = 0.0028736 k( 344) = ( 0.7424215 0.2611422 0.2611422), wk = 0.0028736 k( 345) = ( 0.7610693 0.2812301 0.2812301), wk = 0.0028736 k( 346) = ( 0.7797171 0.3013179 0.3013179), wk = 0.0028736 k( 347) = ( 0.7983649 0.3214058 0.3214058), wk = 0.0028736 k( 348) = ( 0.8170127 0.3414936 0.3414936), wk = 0.0028736 Dense grid: 43965 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 19493 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 134, 42) NL pseudopotentials 0.10 Mb ( 67, 96) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1221) G-vector shells 0.01 Mb ( 1034) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 134, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 96, 2, 42) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./RbTlO2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.7 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.4 secs Computing kpt #: 7 total cpu time spent up to now is 8.0 secs Computing kpt #: 8 total cpu time spent up to now is 8.5 secs Computing kpt #: 9 total cpu time spent up to now is 9.0 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.0 secs Computing kpt #: 12 total cpu time spent up to now is 10.6 secs Computing kpt #: 13 total cpu time spent up to now is 11.0 secs Computing kpt #: 14 total cpu time spent up to now is 11.5 secs Computing kpt #: 15 total cpu time spent up to now is 11.9 secs Computing kpt #: 16 total cpu time spent up to now is 12.4 secs Computing kpt #: 17 total cpu time spent up to now is 12.8 secs Computing kpt #: 18 total cpu time spent up to now is 13.3 secs Computing kpt #: 19 total cpu time spent up to now is 13.7 secs Computing kpt #: 20 total cpu time spent up to now is 14.1 secs Computing kpt #: 21 total cpu time spent up to now is 14.6 secs Computing kpt #: 22 total cpu time spent up to now is 15.0 secs Computing kpt #: 23 total cpu time spent up to now is 15.5 secs Computing kpt #: 24 total cpu time spent up to now is 15.9 secs Computing kpt #: 25 total cpu time spent up to now is 16.3 secs Computing kpt #: 26 total cpu time spent up to now is 16.8 secs Computing kpt #: 27 total cpu time spent up to now is 17.2 secs Computing kpt #: 28 total cpu time spent up to now is 17.6 secs Computing kpt #: 29 total cpu time spent up to now is 18.0 secs Computing kpt #: 30 total cpu time spent up to now is 18.4 secs Computing kpt #: 31 total cpu time spent up to now is 18.9 secs Computing kpt #: 32 total cpu time spent up to now is 19.3 secs Computing kpt #: 33 total cpu time spent up to now is 19.7 secs Computing kpt #: 34 total cpu time spent up to now is 20.1 secs Computing kpt #: 35 total cpu time spent up to now is 20.5 secs Computing kpt #: 36 total cpu time spent up to now is 21.0 secs Computing kpt #: 37 total cpu time spent up to now is 21.4 secs Computing kpt #: 38 total cpu time spent up to now is 21.8 secs Computing kpt #: 39 total cpu time spent up to now is 22.2 secs Computing kpt #: 40 total cpu time spent up to now is 22.6 secs Computing kpt #: 41 total cpu time spent up to now is 23.1 secs Computing kpt #: 42 total cpu time spent up to now is 23.5 secs Computing kpt #: 43 total cpu time spent up to now is 23.9 secs Computing kpt #: 44 total cpu time spent up to now is 24.3 secs Computing kpt #: 45 total cpu time spent up to now is 24.8 secs Computing kpt #: 46 total cpu time spent up to now is 25.2 secs Computing kpt #: 47 total cpu time spent up to now is 25.6 secs Computing kpt #: 48 total cpu time spent up to now is 26.1 secs Computing kpt #: 49 total cpu time spent up to now is 26.5 secs Computing kpt #: 50 total cpu time spent up to now is 26.9 secs Computing kpt #: 51 total cpu time spent up to now is 27.3 secs Computing kpt #: 52 total cpu time spent up to now is 27.7 secs Computing kpt #: 53 total cpu time spent up to now is 28.2 secs Computing kpt #: 54 total cpu time spent up to now is 28.6 secs Computing kpt #: 55 total cpu time spent up to now is 29.0 secs Computing kpt #: 56 total cpu time spent up to now is 29.4 secs Computing kpt #: 57 total cpu time spent up to now is 29.8 secs Computing kpt #: 58 total cpu time spent up to now is 30.3 secs Computing kpt #: 59 total cpu time spent up to now is 30.7 secs Computing kpt #: 60 total cpu time spent up to now is 31.1 secs Computing kpt #: 61 total cpu time spent up to now is 31.5 secs Computing kpt #: 62 total cpu time spent up to now is 31.9 secs Computing kpt #: 63 total cpu time spent up to now is 32.4 secs Computing kpt #: 64 total cpu time spent up to now is 32.8 secs Computing kpt #: 65 total cpu time spent up to now is 33.2 secs Computing kpt #: 66 total cpu time spent up to now is 33.7 secs Computing kpt #: 67 total cpu time spent up to now is 34.1 secs Computing kpt #: 68 total cpu time spent up to now is 34.6 secs Computing kpt #: 69 total cpu time spent up to now is 35.0 secs Computing kpt #: 70 total cpu time spent up to now is 35.4 secs Computing kpt #: 71 total cpu time spent up to now is 35.9 secs Computing kpt #: 72 total cpu time spent up to now is 36.4 secs Computing kpt #: 73 total cpu time spent up to now is 36.8 secs Computing kpt #: 74 total cpu time spent up to now is 37.3 secs Computing kpt #: 75 total cpu time spent up to now is 37.7 secs Computing kpt #: 76 total cpu time spent up to now is 38.2 secs Computing kpt #: 77 total cpu time spent up to now is 38.6 secs Computing kpt #: 78 total cpu time spent up to now is 39.1 secs Computing kpt #: 79 total cpu time spent up to now is 39.6 secs Computing kpt #: 80 total cpu time spent up to now is 40.2 secs Computing kpt #: 81 total cpu time spent up to now is 40.8 secs Computing kpt #: 82 total cpu time spent up to now is 41.5 secs Computing kpt #: 83 total cpu time spent up to now is 41.9 secs Computing kpt #: 84 total cpu time spent up to now is 42.4 secs Computing kpt #: 85 total cpu time spent up to now is 42.9 secs Computing kpt #: 86 total cpu time spent up to now is 43.3 secs Computing kpt #: 87 total cpu time spent up to now is 43.8 secs Computing kpt #: 88 total cpu time spent up to now is 44.2 secs Computing kpt #: 89 total cpu time spent up to now is 44.7 secs Computing kpt #: 90 total cpu time spent up to now is 45.2 secs Computing kpt #: 91 total cpu time spent up to now is 45.6 secs Computing kpt #: 92 total cpu time spent up to now is 46.1 secs Computing kpt #: 93 total cpu time spent up to now is 46.5 secs Computing kpt #: 94 total cpu time spent up to now is 47.0 secs Computing kpt #: 95 total cpu time spent up to now is 47.4 secs Computing kpt #: 96 total cpu time spent up to now is 47.9 secs Computing kpt #: 97 total cpu time spent up to now is 48.3 secs Computing kpt #: 98 total cpu time spent up to now is 48.7 secs Computing kpt #: 99 total cpu time spent up to now is 49.2 secs Computing kpt #: 100 total cpu time spent up to now is 49.6 secs Computing kpt #: 101 total cpu time spent up to now is 50.0 secs Computing kpt #: 102 total cpu time spent up to now is 50.4 secs Computing kpt #: 103 total cpu time spent up to now is 50.9 secs Computing kpt #: 104 total cpu time spent up to now is 51.3 secs Computing kpt #: 105 total cpu time spent up to now is 51.7 secs Computing kpt #: 106 total cpu time spent up to now is 52.2 secs Computing kpt #: 107 total cpu time spent up to now is 52.6 secs Computing kpt #: 108 total cpu time spent up to now is 53.0 secs Computing kpt #: 109 total cpu time spent up to now is 53.5 secs Computing kpt #: 110 total cpu time spent up to now is 53.9 secs Computing kpt #: 111 total cpu time spent up to now is 54.4 secs Computing kpt #: 112 total cpu time spent up to now is 54.8 secs Computing kpt #: 113 total cpu time spent up to now is 55.2 secs Computing kpt #: 114 total cpu time spent up to now is 55.7 secs Computing kpt #: 115 total cpu time spent up to now is 56.1 secs Computing kpt #: 116 total cpu time spent up to now is 56.6 secs Computing kpt #: 117 total cpu time spent up to now is 57.0 secs Computing kpt #: 118 total cpu time spent up to now is 57.5 secs Computing kpt #: 119 total cpu time spent up to now is 57.9 secs Computing kpt #: 120 total cpu time spent up to now is 58.3 secs Computing kpt #: 121 total cpu time spent up to now is 58.7 secs Computing kpt #: 122 total cpu time spent up to now is 59.1 secs Computing kpt #: 123 total cpu time spent up to now is 59.5 secs Computing kpt #: 124 total cpu time spent up to now is 60.0 secs Computing kpt #: 125 total cpu time spent up to now is 60.4 secs Computing kpt #: 126 total cpu time spent up to now is 60.8 secs Computing kpt #: 127 total cpu time spent up to now is 61.2 secs Computing kpt #: 128 total cpu time spent up to now is 61.6 secs Computing kpt #: 129 total cpu time spent up to now is 62.1 secs Computing kpt #: 130 total cpu time spent up to now is 62.5 secs Computing kpt #: 131 total cpu time spent up to now is 62.9 secs Computing kpt #: 132 total cpu time spent up to now is 63.3 secs Computing kpt #: 133 total cpu time spent up to now is 63.8 secs Computing kpt #: 134 total cpu time spent up to now is 64.2 secs Computing kpt #: 135 total cpu time spent up to now is 64.7 secs Computing kpt #: 136 total cpu time spent up to now is 65.1 secs Computing kpt #: 137 total cpu time spent up to now is 65.5 secs Computing kpt #: 138 total cpu time spent up to now is 66.0 secs Computing kpt #: 139 total cpu time spent up to now is 66.4 secs Computing kpt #: 140 total cpu time spent up to now is 66.9 secs Computing kpt #: 141 total cpu time spent up to now is 67.4 secs Computing kpt #: 142 total cpu time spent up to now is 67.9 secs Computing kpt #: 143 total cpu time spent up to now is 68.4 secs Computing kpt #: 144 total cpu time spent up to now is 68.9 secs Computing kpt #: 145 total cpu time spent up to now is 69.5 secs Computing kpt #: 146 total cpu time spent up to now is 70.3 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.6 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.9 secs Computing kpt #: 149 total cpu time spent up to now is 73.5 secs Computing kpt #: 150 total cpu time spent up to now is 74.3 secs Computing kpt #: 151 total cpu time spent up to now is 75.3 secs Computing kpt #: 152 total cpu time spent up to now is 76.2 secs Computing kpt #: 153 total cpu time spent up to now is 77.3 secs Computing kpt #: 154 total cpu time spent up to now is 78.4 secs Computing kpt #: 155 total cpu time spent up to now is 79.0 secs Computing kpt #: 156 total cpu time spent up to now is 80.1 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.4 secs Computing kpt #: 158 total cpu time spent up to now is 82.3 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.5 secs Computing kpt #: 160 total cpu time spent up to now is 84.2 secs Computing kpt #: 161 total cpu time spent up to now is 85.5 secs Computing kpt #: 162 total cpu time spent up to now is 86.1 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.4 secs Computing kpt #: 164 total cpu time spent up to now is 88.0 secs Computing kpt #: 165 total cpu time spent up to now is 88.6 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.9 secs Computing kpt #: 167 total cpu time spent up to now is 90.8 secs Computing kpt #: 168 total cpu time spent up to now is 91.3 secs Computing kpt #: 169 total cpu time spent up to now is 92.4 secs Computing kpt #: 170 total cpu time spent up to now is 93.3 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.5 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.8 secs Computing kpt #: 173 total cpu time spent up to now is 96.9 secs Computing kpt #: 174 total cpu time spent up to now is 97.9 secs Computing kpt #: 175 total cpu time spent up to now is 98.8 secs Computing kpt #: 176 total cpu time spent up to now is 99.7 secs Computing kpt #: 177 total cpu time spent up to now is 100.6 secs Computing kpt #: 178 total cpu time spent up to now is 101.6 secs Computing kpt #: 179 total cpu time spent up to now is 102.5 secs Computing kpt #: 180 total cpu time spent up to now is 103.0 secs Computing kpt #: 181 total cpu time spent up to now is 103.6 secs Computing kpt #: 182 total cpu time spent up to now is 104.1 secs Computing kpt #: 183 total cpu time spent up to now is 104.6 secs Computing kpt #: 184 total cpu time spent up to now is 105.2 secs Computing kpt #: 185 total cpu time spent up to now is 105.7 secs Computing kpt #: 186 total cpu time spent up to now is 106.2 secs Computing kpt #: 187 total cpu time spent up to now is 106.7 secs Computing kpt #: 188 total cpu time spent up to now is 107.2 secs Computing kpt #: 189 total cpu time spent up to now is 107.7 secs Computing kpt #: 190 total cpu time spent up to now is 108.1 secs Computing kpt #: 191 total cpu time spent up to now is 108.6 secs Computing kpt #: 192 total cpu time spent up to now is 109.0 secs Computing kpt #: 193 total cpu time spent up to now is 109.5 secs Computing kpt #: 194 total cpu time spent up to now is 110.0 secs Computing kpt #: 195 total cpu time spent up to now is 110.4 secs Computing kpt #: 196 total cpu time spent up to now is 110.8 secs Computing kpt #: 197 total cpu time spent up to now is 111.3 secs Computing kpt #: 198 total cpu time spent up to now is 111.7 secs Computing kpt #: 199 total cpu time spent up to now is 112.2 secs Computing kpt #: 200 total cpu time spent up to now is 112.6 secs Computing kpt #: 201 total cpu time spent up to now is 113.0 secs Computing kpt #: 202 total cpu time spent up to now is 113.5 secs Computing kpt #: 203 total cpu time spent up to now is 113.9 secs Computing kpt #: 204 total cpu time spent up to now is 114.3 secs Computing kpt #: 205 total cpu time spent up to now is 114.7 secs Computing kpt #: 206 total cpu time spent up to now is 115.1 secs Computing kpt #: 207 total cpu time spent up to now is 115.6 secs Computing kpt #: 208 total cpu time spent up to now is 116.0 secs Computing kpt #: 209 total cpu time spent up to now is 116.4 secs Computing kpt #: 210 total cpu time spent up to now is 116.8 secs Computing kpt #: 211 total cpu time spent up to now is 117.3 secs Computing kpt #: 212 total cpu time spent up to now is 117.7 secs Computing kpt #: 213 total cpu time spent up to now is 118.2 secs Computing kpt #: 214 total cpu time spent up to now is 118.6 secs Computing kpt #: 215 total cpu time spent up to now is 119.1 secs Computing kpt #: 216 total cpu time spent up to now is 119.6 secs Computing kpt #: 217 total cpu time spent up to now is 120.0 secs Computing kpt #: 218 total cpu time spent up to now is 120.5 secs Computing kpt #: 219 total cpu time spent up to now is 121.0 secs Computing kpt #: 220 total cpu time spent up to now is 121.4 secs Computing kpt #: 221 total cpu time spent up to now is 121.9 secs Computing kpt #: 222 total cpu time spent up to now is 122.3 secs Computing kpt #: 223 total cpu time spent up to now is 122.8 secs Computing kpt #: 224 total cpu time spent up to now is 123.2 secs Computing kpt #: 225 total cpu time spent up to now is 123.7 secs Computing kpt #: 226 total cpu time spent up to now is 124.2 secs Computing kpt #: 227 total cpu time spent up to now is 124.6 secs Computing kpt #: 228 total cpu time spent up to now is 125.1 secs Computing kpt #: 229 total cpu time spent up to now is 125.6 secs Computing kpt #: 230 total cpu time spent up to now is 126.0 secs Computing kpt #: 231 total cpu time spent up to now is 126.5 secs Computing kpt #: 232 total cpu time spent up to now is 126.9 secs Computing kpt #: 233 total cpu time spent up to now is 127.4 secs Computing kpt #: 234 total cpu time spent up to now is 127.8 secs Computing kpt #: 235 total cpu time spent up to now is 128.3 secs Computing kpt #: 236 total cpu time spent up to now is 128.8 secs Computing kpt #: 237 total cpu time spent up to now is 129.2 secs Computing kpt #: 238 total cpu time spent up to now is 129.7 secs Computing kpt #: 239 total cpu time spent up to now is 130.2 secs Computing kpt #: 240 total cpu time spent up to now is 130.6 secs Computing kpt #: 241 total cpu time spent up to now is 131.1 secs Computing kpt #: 242 total cpu time spent up to now is 131.5 secs Computing kpt #: 243 total cpu time spent up to now is 132.0 secs Computing kpt #: 244 total cpu time spent up to now is 132.4 secs Computing kpt #: 245 total cpu time spent up to now is 132.9 secs Computing kpt #: 246 total cpu time spent up to now is 133.3 secs Computing kpt #: 247 total cpu time spent up to now is 133.7 secs Computing kpt #: 248 total cpu time spent up to now is 134.1 secs Computing kpt #: 249 total cpu time spent up to now is 134.6 secs Computing kpt #: 250 total cpu time spent up to now is 135.0 secs Computing kpt #: 251 total cpu time spent up to now is 135.4 secs Computing kpt #: 252 total cpu time spent up to now is 135.8 secs Computing kpt #: 253 total cpu time spent up to now is 136.3 secs Computing kpt #: 254 total cpu time spent up to now is 136.7 secs Computing kpt #: 255 total cpu time spent up to now is 137.1 secs Computing kpt #: 256 total cpu time spent up to now is 137.5 secs Computing kpt #: 257 total cpu time spent up to now is 138.0 secs Computing kpt #: 258 total cpu time spent up to now is 138.4 secs Computing kpt #: 259 total cpu time spent up to now is 138.8 secs Computing kpt #: 260 total cpu time spent up to now is 139.2 secs Computing kpt #: 261 total cpu time spent up to now is 139.7 secs Computing kpt #: 262 total cpu time spent up to now is 140.1 secs Computing kpt #: 263 total cpu time spent up to now is 140.5 secs Computing kpt #: 264 total cpu time spent up to now is 141.0 secs Computing kpt #: 265 total cpu time spent up to now is 141.4 secs Computing kpt #: 266 total cpu time spent up to now is 141.8 secs Computing kpt #: 267 total cpu time spent up to now is 142.2 secs Computing kpt #: 268 total cpu time spent up to now is 142.6 secs Computing kpt #: 269 total cpu time spent up to now is 143.1 secs Computing kpt #: 270 total cpu time spent up to now is 143.5 secs Computing kpt #: 271 total cpu time spent up to now is 143.9 secs Computing kpt #: 272 total cpu time spent up to now is 144.3 secs Computing kpt #: 273 total cpu time spent up to now is 144.7 secs Computing kpt #: 274 total cpu time spent up to now is 145.2 secs Computing kpt #: 275 total cpu time spent up to now is 145.6 secs Computing kpt #: 276 total cpu time spent up to now is 146.0 secs Computing kpt #: 277 total cpu time spent up to now is 146.4 secs Computing kpt #: 278 total cpu time spent up to now is 146.9 secs Computing kpt #: 279 total cpu time spent up to now is 147.3 secs Computing kpt #: 280 total cpu time spent up to now is 147.7 secs Computing kpt #: 281 total cpu time spent up to now is 148.2 secs Computing kpt #: 282 total cpu time spent up to now is 148.6 secs Computing kpt #: 283 total cpu time spent up to now is 149.0 secs Computing kpt #: 284 total cpu time spent up to now is 149.4 secs Computing kpt #: 285 total cpu time spent up to now is 149.9 secs Computing kpt #: 286 total cpu time spent up to now is 150.3 secs Computing kpt #: 287 total cpu time spent up to now is 150.7 secs Computing kpt #: 288 total cpu time spent up to now is 151.1 secs Computing kpt #: 289 total cpu time spent up to now is 151.5 secs Computing kpt #: 290 total cpu time spent up to now is 152.0 secs Computing kpt #: 291 total cpu time spent up to now is 152.4 secs Computing kpt #: 292 total cpu time spent up to now is 152.8 secs Computing kpt #: 293 total cpu time spent up to now is 153.2 secs Computing kpt #: 294 total cpu time spent up to now is 153.7 secs Computing kpt #: 295 total cpu time spent up to now is 154.1 secs Computing kpt #: 296 total cpu time spent up to now is 154.5 secs Computing kpt #: 297 total cpu time spent up to now is 154.9 secs Computing kpt #: 298 total cpu time spent up to now is 155.3 secs Computing kpt #: 299 total cpu time spent up to now is 155.8 secs Computing kpt #: 300 total cpu time spent up to now is 156.2 secs Computing kpt #: 301 total cpu time spent up to now is 156.6 secs Computing kpt #: 302 total cpu time spent up to now is 157.0 secs Computing kpt #: 303 total cpu time spent up to now is 157.5 secs Computing kpt #: 304 total cpu time spent up to now is 157.9 secs Computing kpt #: 305 total cpu time spent up to now is 158.3 secs Computing kpt #: 306 total cpu time spent up to now is 158.7 secs Computing kpt #: 307 total cpu time spent up to now is 159.1 secs Computing kpt #: 308 total cpu time spent up to now is 159.6 secs Computing kpt #: 309 total cpu time spent up to now is 160.0 secs Computing kpt #: 310 total cpu time spent up to now is 160.4 secs Computing kpt #: 311 total cpu time spent up to now is 160.8 secs Computing kpt #: 312 total cpu time spent up to now is 161.3 secs Computing kpt #: 313 total cpu time spent up to now is 161.7 secs Computing kpt #: 314 total cpu time spent up to now is 162.1 secs Computing kpt #: 315 total cpu time spent up to now is 162.5 secs Computing kpt #: 316 total cpu time spent up to now is 163.0 secs Computing kpt #: 317 total cpu time spent up to now is 163.4 secs Computing kpt #: 318 total cpu time spent up to now is 163.9 secs Computing kpt #: 319 total cpu time spent up to now is 164.4 secs Computing kpt #: 320 total cpu time spent up to now is 164.8 secs Computing kpt #: 321 total cpu time spent up to now is 165.2 secs Computing kpt #: 322 total cpu time spent up to now is 165.8 secs Computing kpt #: 323 total cpu time spent up to now is 166.3 secs Computing kpt #: 324 total cpu time spent up to now is 166.8 secs Computing kpt #: 325 total cpu time spent up to now is 167.3 secs Computing kpt #: 326 total cpu time spent up to now is 167.9 secs Computing kpt #: 327 total cpu time spent up to now is 168.7 secs Computing kpt #: 328 total cpu time spent up to now is 169.3 secs Computing kpt #: 329 total cpu time spent up to now is 170.6 secs Computing kpt #: 330 total cpu time spent up to now is 171.2 secs Computing kpt #: 331 total cpu time spent up to now is 171.6 secs Computing kpt #: 332 total cpu time spent up to now is 172.0 secs Computing kpt #: 333 total cpu time spent up to now is 172.4 secs Computing kpt #: 334 total cpu time spent up to now is 172.8 secs Computing kpt #: 335 total cpu time spent up to now is 173.2 secs Computing kpt #: 336 total cpu time spent up to now is 173.7 secs Computing kpt #: 337 total cpu time spent up to now is 174.1 secs Computing kpt #: 338 total cpu time spent up to now is 174.5 secs Computing kpt #: 339 total cpu time spent up to now is 174.9 secs Computing kpt #: 340 total cpu time spent up to now is 175.4 secs Computing kpt #: 341 total cpu time spent up to now is 175.8 secs Computing kpt #: 342 total cpu time spent up to now is 176.2 secs Computing kpt #: 343 total cpu time spent up to now is 176.6 secs Computing kpt #: 344 total cpu time spent up to now is 177.0 secs Computing kpt #: 345 total cpu time spent up to now is 177.5 secs Computing kpt #: 346 total cpu time spent up to now is 177.9 secs Computing kpt #: 347 total cpu time spent up to now is 178.3 secs Computing kpt #: 348 total cpu time spent up to now is 178.7 secs ethr = 2.94E-08, avg # of iterations = 25.2 total cpu time spent up to now is 178.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2427 PWs) bands (ev): -17.0329 -17.0329 -8.3054 -8.3054 -7.7947 -7.7947 -2.5587 -2.5587 -2.4816 -2.4816 -1.1566 -1.1566 -0.6049 -0.6049 -0.3689 -0.3689 -0.3035 -0.3035 -0.2490 -0.2490 0.0054 0.0054 3.8923 3.8923 7.3118 7.3118 7.4250 7.4250 7.6724 7.6724 7.9843 7.9843 8.0520 8.0520 9.2116 9.2116 13.5171 13.5171 13.9597 13.9597 17.2075 17.2075 k = 0.0093-0.0161-0.0097 ( 2427 PWs) bands (ev): -17.0327 -17.0327 -8.3050 -8.3050 -7.7948 -7.7948 -2.5585 -2.5585 -2.4815 -2.4815 -1.1571 -1.1571 -0.6049 -0.6049 -0.3690 -0.3690 -0.3038 -0.3038 -0.2485 -0.2485 0.0044 0.0044 3.8920 3.8920 7.3095 7.3095 7.4228 7.4228 7.6705 7.6705 7.9846 7.9846 8.0521 8.0521 9.2166 9.2166 13.5192 13.5192 13.9620 13.9620 17.2064 17.2064 k = 0.0185-0.0321-0.0194 ( 2422 PWs) bands (ev): -17.0320 -17.0320 -8.3039 -8.3039 -7.7948 -7.7948 -2.5580 -2.5580 -2.4811 -2.4811 -1.1587 -1.1587 -0.6048 -0.6048 -0.3692 -0.3692 -0.3047 -0.3047 -0.2472 -0.2472 0.0016 0.0016 3.8911 3.8911 7.3025 7.3025 7.4166 7.4166 7.6650 7.6650 7.9854 7.9854 8.0525 8.0525 9.2314 9.2314 13.5254 13.5254 13.9686 13.9686 17.2010 17.2010 k = 0.0278-0.0482-0.0291 ( 2418 PWs) bands (ev): -17.0308 -17.0308 -8.3020 -8.3020 -7.7949 -7.7949 -2.5571 -2.5571 -2.4805 -2.4805 -1.1613 -1.1613 -0.6048 -0.6048 -0.3696 -0.3696 -0.3061 -0.3061 -0.2451 -0.2451 -0.0031 -0.0031 3.8896 3.8896 7.2903 7.2903 7.4071 7.4071 7.6565 7.6565 7.9863 7.9863 8.0527 8.0527 9.2557 9.2557 13.5357 13.5357 13.9797 13.9797 17.1874 17.1875 k = 0.0370-0.0642-0.0388 ( 2414 PWs) bands (ev): -17.0292 -17.0292 -8.2994 -8.2994 -7.7950 -7.7950 -2.5559 -2.5559 -2.4796 -2.4796 -1.1650 -1.1650 -0.6050 -0.6050 -0.3702 -0.3702 -0.3078 -0.3078 -0.2424 -0.2424 -0.0096 -0.0096 3.8874 3.8874 7.2728 7.2728 7.3955 7.3955 7.6455 7.6455 7.9869 7.9869 8.0525 8.0525 9.2887 9.2887 13.5499 13.5499 13.9951 13.9951 17.1646 17.1647 k = 0.0463-0.0803-0.0486 ( 2414 PWs) bands (ev): -17.0271 -17.0271 -8.2960 -8.2960 -7.7952 -7.7952 -2.5544 -2.5544 -2.4785 -2.4785 -1.1696 -1.1696 -0.6055 -0.6055 -0.3710 -0.3710 -0.3096 -0.3096 -0.2391 -0.2391 -0.0176 -0.0176 3.8844 3.8844 7.2498 7.2498 7.3829 7.3829 7.6326 7.6326 7.9868 7.9868 8.0516 8.0516 9.3297 9.3297 13.5680 13.5680 14.0149 14.0149 17.1339 17.1339 k = 0.0556-0.0963-0.0583 ( 2408 PWs) bands (ev): -17.0246 -17.0246 -8.2919 -8.2919 -7.7954 -7.7954 -2.5526 -2.5526 -2.4770 -2.4770 -1.1751 -1.1751 -0.6065 -0.6065 -0.3718 -0.3718 -0.3116 -0.3116 -0.2352 -0.2352 -0.0271 -0.0271 3.8806 3.8806 7.2220 7.2220 7.3698 7.3698 7.6181 7.6181 7.9856 7.9856 8.0497 8.0497 9.3778 9.3778 13.5897 13.5897 14.0390 14.0390 17.0965 17.0965 k = 0.0648-0.1124-0.0680 ( 2408 PWs) bands (ev): -17.0216 -17.0216 -8.2871 -8.2871 -7.7956 -7.7956 -2.5505 -2.5505 -2.4753 -2.4753 -1.1816 -1.1816 -0.6082 -0.6082 -0.3728 -0.3728 -0.3136 -0.3136 -0.2310 -0.2310 -0.0378 -0.0378 3.8760 3.8760 7.1904 7.1904 7.3563 7.3563 7.6021 7.6021 7.9830 7.9830 8.0469 8.0469 9.4320 9.4320 13.6148 13.6148 14.0673 14.0673 17.0538 17.0538 k = 0.0741-0.1284-0.0777 ( 2410 PWs) bands (ev): -17.0182 -17.0182 -8.2815 -8.2815 -7.7959 -7.7959 -2.5481 -2.5481 -2.4732 -2.4732 -1.1890 -1.1890 -0.6107 -0.6107 -0.3739 -0.3739 -0.3155 -0.3155 -0.2263 -0.2263 -0.0495 -0.0495 3.8703 3.8703 7.1563 7.1563 7.3424 7.3424 7.5846 7.5846 7.9784 7.9784 8.0438 8.0438 9.4913 9.4913 13.6430 13.6430 14.0997 14.0997 17.0068 17.0068 k = 0.0833-0.1445-0.0874 ( 2408 PWs) bands (ev): -17.0144 -17.0144 -8.2753 -8.2753 -7.7963 -7.7963 -2.5456 -2.5456 -2.4707 -2.4707 -1.1973 -1.1973 -0.6144 -0.6144 -0.3749 -0.3749 -0.3175 -0.3175 -0.2213 -0.2213 -0.0620 -0.0620 3.8636 3.8636 7.1209 7.1209 7.3278 7.3278 7.5655 7.5655 7.9713 7.9713 8.0407 8.0407 9.5546 9.5546 13.6738 13.6738 14.1363 14.1363 16.9565 16.9565 k = 0.0926-0.1605-0.0971 ( 2410 PWs) bands (ev): -17.0102 -17.0102 -8.2683 -8.2683 -7.7968 -7.7968 -2.5429 -2.5429 -2.4678 -2.4678 -1.2064 -1.2064 -0.6194 -0.6194 -0.3759 -0.3759 -0.3194 -0.3194 -0.2158 -0.2158 -0.0748 -0.0748 3.8558 3.8558 7.0852 7.0852 7.3124 7.3124 7.5448 7.5448 7.9615 7.9615 8.0382 8.0382 9.6212 9.6212 13.7070 13.7070 14.1769 14.1769 16.9039 16.9039 k = 0.1019-0.1766-0.1068 ( 2411 PWs) bands (ev): -17.0055 -17.0055 -8.2607 -8.2607 -7.7973 -7.7973 -2.5402 -2.5402 -2.4644 -2.4644 -1.2164 -1.2164 -0.6258 -0.6258 -0.3767 -0.3767 -0.3215 -0.3215 -0.2101 -0.2101 -0.0877 -0.0877 3.8468 3.8468 7.0500 7.0500 7.2961 7.2961 7.5222 7.5222 7.9489 7.9489 8.0366 8.0366 9.6901 9.6901 13.7420 13.7420 14.2213 14.2213 16.8501 16.8501 k = 0.1111-0.1926-0.1165 ( 2406 PWs) bands (ev): -17.0005 -17.0005 -8.2524 -8.2524 -7.7979 -7.7979 -2.5373 -2.5373 -2.4606 -2.4606 -1.2273 -1.2273 -0.6336 -0.6336 -0.3775 -0.3775 -0.3238 -0.3238 -0.2041 -0.2041 -0.1003 -0.1003 3.8365 3.8365 7.0159 7.0159 7.2788 7.2788 7.4978 7.4978 7.9338 7.9338 8.0358 8.0358 9.7606 9.7606 13.7782 13.7782 14.2696 14.2696 16.7961 16.7961 k = 0.1204-0.2087-0.1262 ( 2409 PWs) bands (ev): -16.9951 -16.9951 -8.2435 -8.2435 -7.7986 -7.7986 -2.5345 -2.5345 -2.4561 -2.4561 -1.2391 -1.2391 -0.6430 -0.6430 -0.3781 -0.3781 -0.3265 -0.3265 -0.1979 -0.1979 -0.1121 -0.1121 3.8251 3.8251 6.9834 6.9834 7.2605 7.2605 7.4714 7.4714 7.9166 7.9166 8.0358 8.0358 9.8321 9.8321 13.8151 13.8151 14.3216 14.3216 16.7427 16.7427 k = 0.1296-0.2247-0.1359 ( 2416 PWs) bands (ev): -16.9894 -16.9894 -8.2340 -8.2340 -7.7995 -7.7995 -2.5318 -2.5318 -2.4511 -2.4511 -1.2519 -1.2519 -0.6539 -0.6539 -0.3786 -0.3786 -0.3296 -0.3296 -0.1916 -0.1916 -0.1227 -0.1227 3.8124 3.8124 6.9528 6.9528 7.2411 7.2411 7.4430 7.4430 7.8977 7.8977 8.0365 8.0365 9.9039 9.9039 13.8518 13.8518 14.3772 14.3772 16.6911 16.6911 k = 0.1389-0.2408-0.1457 ( 2416 PWs) bands (ev): -16.9833 -16.9833 -8.2239 -8.2239 -7.8004 -7.8004 -2.5292 -2.5292 -2.4455 -2.4455 -1.2657 -1.2657 -0.6662 -0.6662 -0.3790 -0.3790 -0.3334 -0.3334 -0.1856 -0.1856 -0.1314 -0.1314 3.7986 3.7986 6.9241 6.9241 7.2206 7.2206 7.4127 7.4127 7.8775 7.8775 8.0377 8.0377 9.9756 9.9756 13.8875 13.8875 14.4363 14.4363 16.6419 16.6419 k = 0.1481-0.2568-0.1554 ( 2417 PWs) bands (ev): -16.9769 -16.9769 -8.2132 -8.2132 -7.8014 -7.8014 -2.5267 -2.5267 -2.4392 -2.4392 -1.2806 -1.2806 -0.6799 -0.6799 -0.3794 -0.3794 -0.3379 -0.3379 -0.1804 -0.1804 -0.1374 -0.1374 3.7838 3.7838 6.8974 6.8974 7.1991 7.1991 7.3804 7.3804 7.8566 7.8566 8.0393 8.0393 10.0467 10.0467 13.9216 13.9216 14.4986 14.4986 16.5961 16.5961 k = 0.1574-0.2729-0.1651 ( 2417 PWs) bands (ev): -16.9703 -16.9703 -8.2021 -8.2021 -7.8025 -7.8025 -2.5245 -2.5245 -2.4322 -2.4322 -1.2966 -1.2966 -0.6946 -0.6946 -0.3798 -0.3798 -0.3432 -0.3432 -0.1769 -0.1769 -0.1398 -0.1398 3.7680 3.7680 6.8723 6.8723 7.1766 7.1766 7.3462 7.3462 7.8353 7.8353 8.0414 8.0414 10.1169 10.1169 13.9530 13.9530 14.5640 14.5640 16.5540 16.5540 k = 0.1667-0.2889-0.1748 ( 2418 PWs) bands (ev): -16.9633 -16.9633 -8.1904 -8.1904 -7.8038 -7.8038 -2.5224 -2.5224 -2.4247 -2.4247 -1.3139 -1.3139 -0.7102 -0.7102 -0.3803 -0.3803 -0.3492 -0.3492 -0.1754 -0.1754 -0.1381 -0.1381 3.7514 3.7514 6.8485 6.8485 7.1532 7.1532 7.3104 7.3104 7.8140 7.8140 8.0437 8.0437 10.1858 10.1858 13.9808 13.9808 14.6322 14.6322 16.5161 16.5161 k = 0.1759-0.3050-0.1845 ( 2419 PWs) bands (ev): -16.9561 -16.9561 -8.1783 -8.1783 -7.8051 -7.8051 -2.5206 -2.5206 -2.4166 -2.4166 -1.3324 -1.3324 -0.7266 -0.7266 -0.3810 -0.3810 -0.3558 -0.3558 -0.1753 -0.1753 -0.1329 -0.1329 3.7341 3.7341 6.8255 6.8255 7.1289 7.1289 7.2732 7.2732 7.7932 7.7932 8.0464 8.0464 10.2533 10.2533 14.0043 14.0043 14.7029 14.7029 16.4819 16.4819 k = 0.1852-0.3210-0.1942 ( 2425 PWs) bands (ev): -16.9486 -16.9486 -8.1658 -8.1658 -7.8065 -7.8065 -2.5191 -2.5191 -2.4079 -2.4079 -1.3522 -1.3522 -0.7434 -0.7434 -0.3820 -0.3820 -0.3628 -0.3628 -0.1752 -0.1752 -0.1257 -0.1257 3.7165 3.7165 6.8026 6.8026 7.1038 7.1038 7.2351 7.2351 7.7733 7.7733 8.0493 8.0493 10.3192 10.3192 14.0227 14.0227 14.7757 14.7757 16.4507 16.4507 k = 0.1944-0.3371-0.2039 ( 2425 PWs) bands (ev): -16.9410 -16.9410 -8.1530 -8.1530 -7.8079 -7.8079 -2.5177 -2.5177 -2.3988 -2.3988 -1.3733 -1.3733 -0.7605 -0.7605 -0.3837 -0.3837 -0.3697 -0.3697 -0.1746 -0.1746 -0.1171 -0.1171 3.6986 3.6986 6.7789 6.7789 7.0779 7.0779 7.1964 7.1964 7.7546 7.7546 8.0525 8.0525 10.3834 10.3834 14.0354 14.0354 14.8499 14.8499 16.4205 16.4205 k = 0.2037-0.3531-0.2136 ( 2425 PWs) bands (ev): -16.9331 -16.9331 -8.1399 -8.1399 -7.8094 -7.8094 -2.5166 -2.5166 -2.3892 -2.3892 -1.3958 -1.3958 -0.7778 -0.7778 -0.3871 -0.3871 -0.3753 -0.3753 -0.1732 -0.1732 -0.1078 -0.1078 3.6807 3.6807 6.7534 6.7534 7.0513 7.0513 7.1580 7.1580 7.7376 7.7376 8.0559 8.0559 10.4457 10.4457 14.0418 14.0418 14.9251 14.9251 16.3887 16.3887 k = 0.2130-0.3692-0.2233 ( 2425 PWs) bands (ev): -16.9251 -16.9251 -8.1265 -8.1265 -7.8109 -7.8109 -2.5158 -2.5158 -2.3794 -2.3794 -1.4194 -1.4194 -0.7950 -0.7950 -0.3930 -0.3930 -0.3785 -0.3785 -0.1708 -0.1708 -0.0978 -0.0978 3.6631 3.6631 6.7249 6.7249 7.0240 7.0240 7.1204 7.1204 7.7228 7.7228 8.0594 8.0594 10.5061 10.5061 14.0418 14.0418 15.0001 15.0001 16.3525 16.3525 k = 0.2222-0.3852-0.2331 ( 2426 PWs) bands (ev): -16.9170 -16.9170 -8.1131 -8.1131 -7.8123 -7.8123 -2.5151 -2.5151 -2.3693 -2.3693 -1.4442 -1.4442 -0.8120 -0.8120 -0.4006 -0.4006 -0.3803 -0.3803 -0.1676 -0.1676 -0.0873 -0.0873 3.6459 3.6459 6.6924 6.6924 6.9961 6.9961 7.0844 7.0844 7.7105 7.7105 8.0631 8.0631 10.5647 10.5647 14.0355 14.0355 15.0739 15.0739 16.3103 16.3103 k = 0.2315-0.4013-0.2428 ( 2427 PWs) bands (ev): -16.9088 -16.9088 -8.0995 -8.0995 -7.8137 -7.8137 -2.5146 -2.5146 -2.3591 -2.3591 -1.4701 -1.4701 -0.8286 -0.8286 -0.4087 -0.4087 -0.3814 -0.3814 -0.1636 -0.1636 -0.0765 -0.0765 3.6295 3.6295 6.6551 6.6551 6.9674 6.9674 7.0507 7.0507 7.7011 7.7011 8.0670 8.0670 10.6215 10.6215 14.0229 14.0229 15.1448 15.1448 16.2633 16.2633 k = 0.2407-0.4173-0.2525 ( 2427 PWs) bands (ev): -16.9005 -16.9005 -8.0861 -8.0861 -7.8148 -7.8148 -2.5144 -2.5144 -2.3490 -2.3490 -1.4968 -1.4968 -0.8449 -0.8449 -0.4170 -0.4170 -0.3823 -0.3823 -0.1589 -0.1589 -0.0652 -0.0652 3.6139 3.6139 6.6123 6.6123 6.9380 6.9380 7.0195 7.0195 7.6949 7.6949 8.0710 8.0710 10.6765 10.6765 14.0044 14.0044 15.2104 15.2104 16.2148 16.2148 k = 0.2500-0.4334-0.2622 ( 2425 PWs) bands (ev): -16.8921 -16.8921 -8.0727 -8.0727 -7.8158 -7.8158 -2.5143 -2.5143 -2.3389 -2.3389 -1.5241 -1.5241 -0.8608 -0.8608 -0.4254 -0.4254 -0.3830 -0.3830 -0.1536 -0.1536 -0.0535 -0.0535 3.5995 3.5995 6.5638 6.5638 6.9080 6.9080 6.9908 6.9908 7.6922 7.6922 8.0751 8.0751 10.7299 10.7299 13.9807 13.9807 15.2675 15.2675 16.1696 16.1696 k = 0.2593-0.4494-0.2719 ( 2423 PWs) bands (ev): -16.8837 -16.8837 -8.0597 -8.0597 -7.8165 -7.8165 -2.5145 -2.5145 -2.3293 -2.3293 -1.5518 -1.5518 -0.8762 -0.8762 -0.4336 -0.4336 -0.3835 -0.3835 -0.1478 -0.1478 -0.0415 -0.0415 3.5865 3.5865 6.5099 6.5099 6.8776 6.8776 6.9641 6.9641 7.6930 7.6930 8.0792 8.0792 10.7817 10.7817 13.9523 13.9523 15.3122 15.3122 16.1336 16.1336 k = 0.2685-0.4655-0.2816 ( 2425 PWs) bands (ev): -16.8753 -16.8753 -8.0470 -8.0470 -7.8167 -7.8167 -2.5148 -2.5148 -2.3200 -2.3200 -1.5797 -1.5797 -0.8911 -0.8911 -0.4417 -0.4417 -0.3839 -0.3839 -0.1416 -0.1416 -0.0290 -0.0290 3.5749 3.5749 6.4510 6.4510 6.8470 6.8470 6.9388 6.9388 7.6974 7.6974 8.0835 8.0835 10.8320 10.8320 13.9198 13.9198 15.3396 15.3396 16.1125 16.1125 k = 0.2778-0.4815-0.2913 ( 2426 PWs) bands (ev): -16.8670 -16.8670 -8.0350 -8.0350 -7.8164 -7.8164 -2.5152 -2.5152 -2.3114 -2.3114 -1.6075 -1.6075 -0.9055 -0.9055 -0.4497 -0.4497 -0.3842 -0.3842 -0.1349 -0.1349 -0.0161 -0.0161 3.5650 3.5650 6.3876 6.3876 6.8165 6.8165 6.9144 6.9144 7.7053 7.7053 8.0877 8.0877 10.8811 10.8811 13.8840 13.8840 15.3462 15.3462 16.1107 16.1107 k = 0.2870-0.4976-0.3010 ( 2424 PWs) bands (ev): -16.8587 -16.8587 -8.0237 -8.0237 -7.8154 -7.8154 -2.5159 -2.5159 -2.3037 -2.3037 -1.6348 -1.6348 -0.9194 -0.9194 -0.4576 -0.4576 -0.3844 -0.3844 -0.1280 -0.1280 -0.0029 -0.0029 3.5570 3.5570 6.3204 6.3204 6.7860 6.7860 6.8905 6.8905 7.7165 7.7165 8.0920 8.0920 10.9290 10.9290 13.8454 13.8454 15.3314 15.3314 16.1293 16.1293 k = 0.2963-0.5137-0.3107 ( 2417 PWs) bands (ev): -16.8505 -16.8505 -8.0132 -8.0132 -7.8136 -7.8136 -2.5167 -2.5167 -2.2969 -2.2969 -1.6613 -1.6613 -0.9329 -0.9329 -0.4653 -0.4653 -0.3844 -0.3844 -0.1207 -0.1207 0.0108 0.0108 3.5508 3.5508 6.2499 6.2499 6.7559 6.7559 6.8667 6.8667 7.7308 7.7308 8.0963 8.0963 10.9758 10.9758 13.8047 13.8047 15.2981 15.2981 16.1656 16.1656 k = 0.3056-0.5297-0.3204 ( 2418 PWs) bands (ev): -16.8424 -16.8424 -8.0039 -8.0039 -7.8109 -7.8109 -2.5176 -2.5176 -2.2914 -2.2914 -1.6867 -1.6867 -0.9458 -0.9458 -0.4729 -0.4729 -0.3844 -0.3844 -0.1133 -0.1133 0.0249 0.0249 3.5467 3.5467 6.1768 6.1768 6.7261 6.7261 6.8430 6.8430 7.7478 7.7478 8.1005 8.1005 11.0217 11.0217 13.7624 13.7624 15.2509 15.2509 16.2152 16.2152 k = 0.3148-0.5458-0.3302 ( 2417 PWs) bands (ev): -16.8345 -16.8345 -7.9957 -7.9957 -7.8072 -7.8072 -2.5187 -2.5187 -2.2873 -2.2873 -1.7108 -1.7108 -0.9582 -0.9582 -0.4803 -0.4803 -0.3842 -0.3842 -0.1057 -0.1057 0.0393 0.0393 3.5447 3.5447 6.1015 6.1015 6.6967 6.6967 6.8194 6.8194 7.7672 7.7672 8.1047 8.1047 11.0668 11.0668 13.7191 13.7191 15.1943 15.1943 16.2736 16.2736 k = 0.3241-0.5618-0.3399 ( 2415 PWs) bands (ev): -16.8267 -16.8267 -7.9888 -7.9888 -7.8025 -7.8025 -2.5199 -2.5199 -2.2848 -2.2848 -1.7332 -1.7332 -0.9701 -0.9701 -0.4876 -0.4876 -0.3839 -0.3839 -0.0980 -0.0980 0.0541 0.0541 3.5449 3.5449 6.0245 6.0245 6.6679 6.6679 6.7957 6.7957 7.7884 7.7884 8.1089 8.1089 11.1111 11.1111 13.6751 13.6751 15.1319 15.1319 16.3372 16.3372 k = 0.3333-0.5779-0.3496 ( 2415 PWs) bands (ev): -16.8192 -16.8192 -7.9832 -7.9832 -7.7968 -7.7968 -2.5213 -2.5213 -2.2840 -2.2840 -1.7536 -1.7536 -0.9815 -0.9815 -0.4947 -0.4947 -0.3836 -0.3836 -0.0902 -0.0902 0.0693 0.0693 3.5472 3.5472 5.9463 5.9463 6.6398 6.6398 6.7722 6.7722 7.8112 7.8112 8.1130 8.1130 11.1547 11.1547 13.6308 13.6308 15.0660 15.0660 16.4034 16.4034 k = 0.3426-0.5939-0.3593 ( 2415 PWs) bands (ev): -16.8119 -16.8119 -7.9788 -7.9788 -7.7901 -7.7901 -2.5228 -2.5228 -2.2849 -2.2849 -1.7719 -1.7719 -0.9924 -0.9924 -0.5017 -0.5017 -0.3832 -0.3832 -0.0825 -0.0825 0.0846 0.0846 3.5518 3.5518 5.8674 5.8674 6.6124 6.6124 6.7489 6.7489 7.8351 7.8351 8.1170 8.1170 11.1976 11.1976 13.5867 13.5867 14.9987 14.9987 16.4705 16.4705 k = 0.3519-0.6100-0.3690 ( 2420 PWs) bands (ev): -16.8048 -16.8048 -7.9756 -7.9756 -7.7825 -7.7825 -2.5243 -2.5243 -2.2877 -2.2877 -1.7880 -1.7880 -1.0027 -1.0027 -0.5084 -0.5084 -0.3828 -0.3828 -0.0749 -0.0749 0.1002 0.1002 3.5586 3.5586 5.7881 5.7881 6.5859 6.5859 6.7261 6.7261 7.8596 7.8596 8.1209 8.1209 11.2399 11.2399 13.5429 13.5429 14.9311 14.9311 16.5371 16.5371 k = 0.3611-0.6260-0.3787 ( 2424 PWs) bands (ev): -16.7981 -16.7981 -7.9734 -7.9734 -7.7744 -7.7744 -2.5260 -2.5260 -2.2923 -2.2923 -1.8017 -1.8017 -1.0125 -1.0125 -0.5149 -0.5149 -0.3823 -0.3823 -0.0674 -0.0674 0.1158 0.1158 3.5674 3.5674 5.7090 5.7090 6.5603 6.5603 6.7038 6.7038 7.8845 7.8845 8.1248 8.1248 11.2816 11.2816 13.4997 13.4997 14.8643 14.8643 16.6022 16.6022 k = 0.3704-0.6421-0.3884 ( 2420 PWs) bands (ev): -16.7916 -16.7916 -7.9721 -7.9721 -7.7658 -7.7658 -2.5277 -2.5277 -2.2984 -2.2984 -1.8133 -1.8133 -1.0217 -1.0217 -0.5212 -0.5212 -0.3818 -0.3818 -0.0601 -0.0601 0.1315 0.1315 3.5784 3.5784 5.6305 5.6305 6.5358 6.5358 6.6822 6.6822 7.9094 7.9094 8.1285 8.1285 11.3225 11.3225 13.4575 13.4575 14.7990 14.7990 16.6650 16.6650 k = 0.3796-0.6581-0.3981 ( 2422 PWs) bands (ev): -16.7855 -16.7855 -7.9715 -7.9715 -7.7569 -7.7569 -2.5296 -2.5296 -2.3059 -2.3059 -1.8227 -1.8227 -1.0303 -1.0303 -0.5272 -0.5272 -0.3814 -0.3814 -0.0531 -0.0531 0.1470 0.1470 3.5913 3.5913 5.5530 5.5530 6.5124 6.5124 6.6615 6.6615 7.9338 7.9338 8.1321 8.1321 11.3626 11.3626 13.4163 13.4163 14.7358 14.7358 16.7250 16.7250 k = 0.3889-0.6742-0.4078 ( 2417 PWs) bands (ev): -16.7797 -16.7797 -7.9715 -7.9715 -7.7480 -7.7480 -2.5315 -2.5315 -2.3144 -2.3144 -1.8302 -1.8302 -1.0383 -1.0383 -0.5329 -0.5329 -0.3809 -0.3809 -0.0463 -0.0463 0.1622 0.1622 3.6060 3.6060 5.4770 5.4770 6.4903 6.4903 6.6417 6.6417 7.9576 7.9576 8.1356 8.1356 11.4018 11.4018 13.3765 13.3765 14.6752 14.6752 16.7817 16.7817 k = 0.3981-0.6902-0.4176 ( 2417 PWs) bands (ev): -16.7743 -16.7743 -7.9719 -7.9719 -7.7392 -7.7392 -2.5334 -2.5334 -2.3237 -2.3237 -1.8360 -1.8360 -1.0457 -1.0457 -0.5383 -0.5383 -0.3804 -0.3804 -0.0400 -0.0400 0.1770 0.1770 3.6224 3.6224 5.4030 5.4030 6.4696 6.4696 6.6231 6.6231 7.9803 7.9803 8.1390 8.1390 11.4398 11.4398 13.3383 13.3383 14.6178 14.6178 16.8347 16.8347 k = 0.4074-0.7063-0.4273 ( 2415 PWs) bands (ev): -16.7693 -16.7693 -7.9726 -7.9726 -7.7306 -7.7306 -2.5353 -2.5353 -2.3333 -2.3333 -1.8404 -1.8404 -1.0525 -1.0525 -0.5433 -0.5433 -0.3800 -0.3800 -0.0340 -0.0340 0.1912 0.1912 3.6401 3.6401 5.3316 5.3316 6.4503 6.4503 6.6057 6.6057 8.0018 8.0018 8.1423 8.1423 11.4764 11.4764 13.3018 13.3018 14.5639 14.5639 16.8838 16.8838 k = 0.4167-0.7223-0.4370 ( 2415 PWs) bands (ev): -16.7647 -16.7647 -7.9735 -7.9735 -7.7225 -7.7225 -2.5373 -2.5373 -2.3430 -2.3430 -1.8436 -1.8436 -1.0586 -1.0586 -0.5480 -0.5480 -0.3795 -0.3795 -0.0285 -0.0285 0.2048 0.2048 3.6588 3.6588 5.2634 5.2634 6.4325 6.4325 6.5896 6.5896 8.0217 8.0217 8.1455 8.1455 11.5114 11.5114 13.2673 13.2673 14.5139 14.5139 16.9287 16.9287 k = 0.4259-0.7384-0.4467 ( 2415 PWs) bands (ev): -16.7605 -16.7605 -7.9745 -7.9745 -7.7150 -7.7150 -2.5392 -2.5392 -2.3524 -2.3524 -1.8458 -1.8458 -1.0641 -1.0641 -0.5522 -0.5522 -0.3791 -0.3791 -0.0234 -0.0234 0.2174 0.2174 3.6782 3.6782 5.1989 5.1989 6.4164 6.4164 6.5750 6.5750 8.0399 8.0399 8.1486 8.1486 11.5444 11.5444 13.2351 13.2351 14.4682 14.4682 16.9692 16.9692 k = 0.4352-0.7544-0.4564 ( 2417 PWs) bands (ev): -16.7568 -16.7568 -7.9756 -7.9756 -7.7081 -7.7081 -2.5411 -2.5411 -2.3613 -2.3613 -1.8474 -1.8474 -1.0689 -1.0689 -0.5560 -0.5560 -0.3788 -0.3788 -0.0189 -0.0189 0.2290 0.2290 3.6978 3.6978 5.1390 5.1390 6.4020 6.4020 6.5619 6.5619 8.0560 8.0560 8.1517 8.1517 11.5750 11.5750 13.2055 13.2055 14.4271 14.4271 17.0051 17.0051 k = 0.4444-0.7705-0.4661 ( 2417 PWs) bands (ev): -16.7536 -16.7536 -7.9766 -7.9766 -7.7019 -7.7019 -2.5428 -2.5428 -2.3694 -2.3694 -1.8484 -1.8484 -1.0731 -1.0731 -0.5593 -0.5593 -0.3785 -0.3785 -0.0149 -0.0149 0.2393 0.2393 3.7170 3.7170 5.0844 5.0844 6.3893 6.3893 6.5504 6.5504 8.0701 8.0701 8.1547 8.1547 11.6028 11.6028 13.1788 13.1788 14.3908 14.3908 17.0364 17.0364 k = 0.4537-0.7865-0.4758 ( 2414 PWs) bands (ev): -16.7508 -16.7508 -7.9775 -7.9775 -7.6966 -7.6966 -2.5444 -2.5444 -2.3765 -2.3765 -1.8490 -1.8490 -1.0767 -1.0767 -0.5622 -0.5622 -0.3782 -0.3782 -0.0115 -0.0115 0.2484 0.2484 3.7352 3.7352 5.0359 5.0359 6.3785 6.3785 6.5405 6.5405 8.0818 8.0818 8.1576 8.1576 11.6274 11.6274 13.1554 13.1554 14.3597 14.3597 17.0630 17.0630 k = 0.4630-0.8026-0.4855 ( 2418 PWs) bands (ev): -16.7486 -16.7486 -7.9783 -7.9783 -7.6921 -7.6921 -2.5458 -2.5458 -2.3825 -2.3825 -1.8493 -1.8493 -1.0796 -1.0796 -0.5645 -0.5645 -0.3780 -0.3780 -0.0087 -0.0087 0.2560 0.2560 3.7516 3.7516 4.9945 4.9945 6.3695 6.3695 6.5324 6.5324 8.0913 8.0913 8.1603 8.1603 11.6484 11.6484 13.1356 13.1356 14.3339 14.3339 17.0848 17.0848 k = 0.4722-0.8186-0.4952 ( 2421 PWs) bands (ev): -16.7468 -16.7468 -7.9790 -7.9790 -7.6886 -7.6886 -2.5470 -2.5470 -2.3872 -2.3872 -1.8495 -1.8495 -1.0818 -1.0818 -0.5664 -0.5664 -0.3778 -0.3778 -0.0064 -0.0064 0.2620 0.2620 3.7655 3.7655 4.9610 4.9610 6.3625 6.3625 6.5261 6.5261 8.0984 8.0984 8.1627 8.1627 11.6652 11.6652 13.1197 13.1197 14.3136 14.3136 17.1018 17.1018 k = 0.4815-0.8347-0.5049 ( 2421 PWs) bands (ev): -16.7455 -16.7455 -7.9795 -7.9795 -7.6860 -7.6860 -2.5479 -2.5479 -2.3907 -2.3907 -1.8496 -1.8496 -1.0834 -1.0834 -0.5677 -0.5677 -0.3776 -0.3776 -0.0049 -0.0049 0.2663 0.2663 3.7760 3.7760 4.9364 4.9364 6.3575 6.3575 6.5215 6.5215 8.1034 8.1034 8.1646 8.1646 11.6775 11.6775 13.1081 13.1081 14.2990 14.2990 17.1139 17.1139 k = 0.4907-0.8507-0.5147 ( 2423 PWs) bands (ev): -16.7447 -16.7447 -7.9798 -7.9798 -7.6845 -7.6845 -2.5484 -2.5484 -2.3928 -2.3928 -1.8496 -1.8496 -1.0844 -1.0844 -0.5685 -0.5685 -0.3776 -0.3776 -0.0039 -0.0039 0.2690 0.2690 3.7827 3.7827 4.9213 4.9213 6.3545 6.3545 6.5187 6.5187 8.1063 8.1063 8.1658 8.1658 11.6850 11.6850 13.1010 13.1010 14.2902 14.2902 17.1212 17.1212 k = 0.5000-0.8668-0.5244 ( 2432 PWs) bands (ev): -16.7445 -16.7445 -7.9799 -7.9799 -7.6840 -7.6840 -2.5486 -2.5486 -2.3935 -2.3935 -1.8496 -1.8496 -1.0847 -1.0847 -0.5688 -0.5688 -0.3775 -0.3775 -0.0036 -0.0036 0.2699 0.2699 3.7849 3.7849 4.9162 4.9162 6.3535 6.3535 6.5178 6.5178 8.1073 8.1073 8.1662 8.1662 11.6876 11.6876 13.0987 13.0987 14.2873 14.2873 17.1236 17.1236 k = 0.5000-0.8668-0.5244 ( 2432 PWs) bands (ev): -16.7445 -16.7445 -7.9799 -7.9799 -7.6840 -7.6840 -2.5486 -2.5486 -2.3935 -2.3935 -1.8496 -1.8496 -1.0847 -1.0847 -0.5688 -0.5688 -0.3775 -0.3775 -0.0036 -0.0036 0.2699 0.2699 3.7849 3.7849 4.9162 4.9162 6.3535 6.3535 6.5178 6.5178 8.1073 8.1073 8.1662 8.1662 11.6876 11.6876 13.0987 13.0987 14.2873 14.2873 17.1236 17.1236 k = 0.5000-0.8560-0.5422 ( 2422 PWs) bands (ev): -16.7444 -16.7444 -7.9796 -7.9796 -7.6842 -7.6842 -2.5481 -2.5481 -2.3931 -2.3931 -1.8497 -1.8497 -1.0847 -1.0847 -0.5697 -0.5697 -0.3773 -0.3773 -0.0039 -0.0039 0.2695 0.2695 3.7838 3.7838 4.9173 4.9173 6.3543 6.3543 6.5185 6.5185 8.1061 8.1061 8.1641 8.1641 11.6877 11.6877 13.1024 13.1024 14.2905 14.2905 17.1243 17.1243 k = 0.5000-0.8452-0.5600 ( 2422 PWs) bands (ev): -16.7441 -16.7441 -7.9788 -7.9788 -7.6848 -7.6848 -2.5469 -2.5469 -2.3922 -2.3922 -1.8499 -1.8499 -1.0846 -1.0846 -0.5725 -0.5725 -0.3768 -0.3768 -0.0048 -0.0048 0.2683 0.2683 3.7805 3.7805 4.9208 4.9208 6.3567 6.3567 6.5206 6.5206 8.1025 8.1025 8.1578 8.1578 11.6881 11.6881 13.1135 13.1135 14.3000 14.3000 17.1261 17.1261 k = 0.5000-0.8345-0.5778 ( 2424 PWs) bands (ev): -16.7437 -16.7437 -7.9773 -7.9773 -7.6858 -7.6858 -2.5448 -2.5448 -2.3907 -2.3907 -1.8503 -1.8503 -1.0844 -1.0844 -0.5771 -0.5771 -0.3757 -0.3757 -0.0062 -0.0062 0.2663 0.2663 3.7751 3.7751 4.9265 4.9265 6.3606 6.3606 6.5241 6.5241 8.0960 8.0960 8.1481 8.1481 11.6887 11.6887 13.1319 13.1319 14.3158 14.3158 17.1291 17.1291 k = 0.5000-0.8237-0.5956 ( 2422 PWs) bands (ev): -16.7432 -16.7432 -7.9753 -7.9753 -7.6871 -7.6871 -2.5419 -2.5419 -2.3886 -2.3886 -1.8509 -1.8509 -1.0843 -1.0843 -0.5836 -0.5836 -0.3742 -0.3742 -0.0082 -0.0082 0.2635 0.2635 3.7676 3.7676 4.9346 4.9346 6.3659 6.3659 6.5288 6.5288 8.0856 8.0856 8.1362 8.1362 11.6896 11.6896 13.1575 13.1575 14.3377 14.3377 17.1334 17.1334 k = 0.5000-0.8129-0.6134 ( 2426 PWs) bands (ev): -16.7424 -16.7424 -7.9727 -7.9727 -7.6889 -7.6889 -2.5382 -2.5382 -2.3859 -2.3859 -1.8515 -1.8515 -1.0843 -1.0843 -0.5918 -0.5918 -0.3721 -0.3721 -0.0106 -0.0106 0.2599 0.2599 3.7581 3.7581 4.9448 4.9448 6.3723 6.3723 6.5348 6.5348 8.0700 8.0700 8.1237 8.1237 11.6908 11.6908 13.1902 13.1902 14.3655 14.3655 17.1390 17.1390 k = 0.5000-0.8022-0.6312 ( 2426 PWs) bands (ev): -16.7415 -16.7415 -7.9696 -7.9696 -7.6910 -7.6910 -2.5338 -2.5338 -2.3827 -2.3827 -1.8524 -1.8524 -1.0844 -1.0844 -0.6019 -0.6019 -0.3693 -0.3693 -0.0135 -0.0135 0.2557 0.2557 3.7469 3.7469 4.9573 4.9573 6.3796 6.3796 6.5420 6.5420 8.0483 8.0483 8.1118 8.1118 11.6923 11.6923 13.2297 13.2297 14.3990 14.3990 17.1459 17.1459 k = 0.5000-0.7914-0.6490 ( 2430 PWs) bands (ev): -16.7405 -16.7405 -7.9659 -7.9659 -7.6935 -7.6935 -2.5286 -2.5286 -2.3790 -2.3790 -1.8533 -1.8533 -1.0848 -1.0848 -0.6135 -0.6135 -0.3659 -0.3659 -0.0168 -0.0168 0.2507 0.2507 3.7341 3.7341 4.9720 4.9720 6.3875 6.3875 6.5502 6.5502 8.0212 8.0212 8.1006 8.1006 11.6941 11.6941 13.2759 13.2759 14.4378 14.4378 17.1542 17.1542 k = 0.5000-0.7806-0.6668 ( 2428 PWs) bands (ev): -16.7394 -16.7394 -7.9618 -7.9618 -7.6964 -7.6964 -2.5227 -2.5227 -2.3748 -2.3748 -1.8544 -1.8544 -1.0855 -1.0855 -0.6267 -0.6267 -0.3617 -0.3617 -0.0204 -0.0204 0.2450 0.2450 3.7198 3.7198 4.9888 4.9888 6.3956 6.3956 6.5594 6.5594 7.9895 7.9895 8.0897 8.0897 11.6964 11.6964 13.3284 13.3284 14.4815 14.4815 17.1640 17.1640 k = 0.5000-0.7698-0.6846 ( 2428 PWs) bands (ev): -16.7381 -16.7381 -7.9571 -7.9571 -7.6996 -7.6996 -2.5161 -2.5161 -2.3702 -2.3702 -1.8556 -1.8556 -1.0868 -1.0868 -0.6410 -0.6410 -0.3567 -0.3567 -0.0243 -0.0243 0.2387 0.2387 3.7044 3.7044 5.0076 5.0076 6.4035 6.4035 6.5692 6.5692 7.9543 7.9543 8.0786 8.0786 11.6990 11.6990 13.3871 13.3871 14.5299 14.5299 17.1753 17.1753 k = 0.5000-0.7591-0.7024 ( 2430 PWs) bands (ev): -16.7367 -16.7367 -7.9520 -7.9520 -7.7031 -7.7031 -2.5088 -2.5088 -2.3653 -2.3653 -1.8568 -1.8568 -1.0888 -1.0888 -0.6563 -0.6563 -0.3510 -0.3510 -0.0283 -0.0283 0.2318 0.2318 3.6880 3.6880 5.0285 5.0285 6.4109 6.4109 6.5796 6.5796 7.9166 7.9166 8.0674 8.0674 11.7021 11.7021 13.4515 13.4515 14.5823 14.5823 17.1880 17.1880 k = 0.5000-0.7483-0.7202 ( 2428 PWs) bands (ev): -16.7351 -16.7351 -7.9465 -7.9465 -7.7069 -7.7069 -2.5010 -2.5010 -2.3600 -2.3600 -1.8582 -1.8582 -1.0917 -1.0917 -0.6722 -0.6722 -0.3446 -0.3446 -0.0325 -0.0325 0.2244 0.2244 3.6708 3.6708 5.0513 5.0513 6.4174 6.4174 6.5901 6.5901 7.8773 7.8773 8.0557 8.0557 11.7057 11.7057 13.5215 13.5215 14.6384 14.6384 17.2021 17.2021 k = 0.5000-0.7375-0.7380 ( 2430 PWs) bands (ev): -16.7335 -16.7335 -7.9405 -7.9405 -7.7110 -7.7110 -2.4927 -2.4927 -2.3545 -2.3545 -1.8595 -1.8595 -1.0957 -1.0957 -0.6884 -0.6884 -0.3375 -0.3375 -0.0367 -0.0367 0.2165 0.2165 3.6531 3.6531 5.0760 5.0760 6.4225 6.4225 6.6003 6.6003 7.8372 7.8372 8.0439 8.0439 11.7098 11.7098 13.5966 13.5966 14.6977 14.6977 17.2174 17.2174 k = 0.5000-0.7268-0.7558 ( 2438 PWs) bands (ev): -16.7319 -16.7319 -7.9342 -7.9342 -7.7153 -7.7153 -2.4838 -2.4838 -2.3488 -2.3488 -1.8609 -1.8609 -1.1011 -1.1011 -0.7045 -0.7045 -0.3297 -0.3297 -0.0409 -0.0409 0.2081 0.2081 3.6352 3.6352 5.1025 5.1025 6.4259 6.4259 6.6097 6.6097 7.7973 7.7973 8.0318 8.0318 11.7144 11.7144 13.6765 13.6765 14.7595 14.7595 17.2334 17.2334 k = 0.5000-0.7160-0.7736 ( 2434 PWs) bands (ev): -16.7301 -16.7301 -7.9276 -7.9276 -7.7199 -7.7199 -2.4746 -2.4746 -2.3430 -2.3430 -1.8623 -1.8623 -1.1079 -1.1079 -0.7200 -0.7200 -0.3214 -0.3214 -0.0450 -0.0450 0.1994 0.1994 3.6173 3.6173 5.1307 5.1307 6.4274 6.4274 6.6178 6.6178 7.7584 7.7584 8.0197 8.0197 11.7196 11.7196 13.7608 13.7608 14.8233 14.8233 17.2491 17.2491 k = 0.5000-0.7052-0.7914 ( 2432 PWs) bands (ev): -16.7283 -16.7283 -7.9206 -7.9206 -7.7247 -7.7247 -2.4649 -2.4649 -2.3372 -2.3372 -1.8637 -1.8637 -1.1164 -1.1164 -0.7346 -0.7346 -0.3126 -0.3126 -0.0489 -0.0489 0.1904 0.1904 3.5995 3.5995 5.1606 5.1606 6.4267 6.4267 6.6237 6.6237 7.7215 7.7215 8.0076 8.0076 11.7254 11.7254 13.8492 13.8492 14.8884 14.8884 17.2626 17.2626 k = 0.5000-0.6944-0.8092 ( 2430 PWs) bands (ev): -16.7265 -16.7265 -7.9134 -7.9134 -7.7297 -7.7297 -2.4550 -2.4550 -2.3316 -2.3316 -1.8649 -1.8649 -1.1267 -1.1267 -0.7480 -0.7480 -0.3035 -0.3035 -0.0526 -0.0526 0.1811 0.1811 3.5821 3.5821 5.1920 5.1920 6.4236 6.4236 6.6269 6.6269 7.6877 7.6877 7.9958 7.9958 11.7318 11.7318 13.9411 13.9411 14.9544 14.9544 17.2703 17.2703 k = 0.5000-0.6837-0.8270 ( 2430 PWs) bands (ev): -16.7247 -16.7247 -7.9060 -7.9060 -7.7348 -7.7348 -2.4449 -2.4449 -2.3261 -2.3261 -1.8661 -1.8661 -1.1388 -1.1388 -0.7599 -0.7599 -0.2940 -0.2940 -0.0559 -0.0559 0.1717 0.1717 3.5654 3.5654 5.2248 5.2248 6.4178 6.4178 6.6264 6.6264 7.6579 7.6579 7.9844 7.9844 11.7389 11.7389 14.0363 14.0363 15.0206 15.0206 17.2657 17.2657 k = 0.5000-0.6729-0.8449 ( 2430 PWs) bands (ev): -16.7228 -16.7228 -7.8985 -7.8985 -7.7401 -7.7401 -2.4346 -2.4346 -2.3208 -2.3208 -1.8672 -1.8672 -1.1526 -1.1526 -0.7703 -0.7703 -0.2844 -0.2844 -0.0589 -0.0589 0.1621 0.1621 3.5495 3.5495 5.2590 5.2590 6.4092 6.4092 6.6218 6.6218 7.6328 7.6328 7.9736 7.9736 11.7465 11.7465 14.1340 14.1340 15.0864 15.0864 17.2396 17.2396 k = 0.5000-0.6621-0.8627 ( 2430 PWs) bands (ev): -16.7210 -16.7210 -7.8908 -7.8908 -7.7455 -7.7455 -2.4243 -2.4243 -2.3160 -2.3160 -1.8681 -1.8681 -1.1678 -1.1678 -0.7791 -0.7791 -0.2749 -0.2749 -0.0612 -0.0612 0.1526 0.1526 3.5346 3.5346 5.2943 5.2943 6.3977 6.3977 6.6124 6.6124 7.6133 7.6133 7.9634 7.9634 11.7547 11.7547 14.2340 14.2340 15.1512 15.1512 17.1830 17.1830 k = 0.5000-0.6514-0.8805 ( 2430 PWs) bands (ev): -16.7192 -16.7192 -7.8831 -7.8831 -7.7510 -7.7510 -2.4140 -2.4140 -2.3116 -2.3116 -1.8688 -1.8688 -1.1841 -1.1841 -0.7863 -0.7863 -0.2655 -0.2655 -0.0630 -0.0630 0.1431 0.1431 3.5209 3.5209 5.3308 5.3308 6.3833 6.3833 6.5980 6.5980 7.5997 7.5997 7.9541 7.9541 11.7635 11.7635 14.3355 14.3355 15.2146 15.2146 17.0963 17.0963 k = 0.5000-0.6406-0.8983 ( 2428 PWs) bands (ev): -16.7175 -16.7175 -7.8754 -7.8754 -7.7565 -7.7565 -2.4039 -2.4039 -2.3078 -2.3078 -1.8694 -1.8694 -1.2012 -1.2012 -0.7921 -0.7921 -0.2565 -0.2565 -0.0640 -0.0640 0.1338 0.1338 3.5085 3.5085 5.3682 5.3682 6.3660 6.3660 6.5786 6.5786 7.5922 7.5922 7.9457 7.9457 11.7728 11.7728 14.4379 14.4379 15.2762 15.2762 16.9977 16.9977 k = 0.5000-0.6298-0.9161 ( 2424 PWs) bands (ev): -16.7158 -16.7158 -7.8677 -7.8677 -7.7620 -7.7620 -2.3939 -2.3939 -2.3046 -2.3046 -1.8697 -1.8697 -1.2186 -1.2186 -0.7966 -0.7966 -0.2481 -0.2481 -0.0641 -0.0641 0.1247 0.1247 3.4976 3.4976 5.4064 5.4064 6.3458 6.3458 6.5545 6.5545 7.5906 7.5906 7.9384 7.9384 11.7826 11.7826 14.5404 14.5404 15.3356 15.3356 16.8977 16.8977 k = 0.5000-0.6191-0.9339 ( 2424 PWs) bands (ev): -16.7143 -16.7143 -7.8601 -7.8601 -7.7676 -7.7676 -2.3842 -2.3842 -2.3021 -2.3021 -1.8699 -1.8699 -1.2360 -1.2360 -0.8001 -0.8001 -0.2404 -0.2404 -0.0633 -0.0633 0.1160 0.1160 3.4882 3.4882 5.4452 5.4452 6.3228 6.3228 6.5262 6.5262 7.5946 7.5946 7.9322 7.9322 11.7928 11.7928 14.6422 14.6422 15.3927 15.3927 16.7986 16.7986 k = 0.5000-0.6083-0.9517 ( 2428 PWs) bands (ev): -16.7128 -16.7128 -7.8527 -7.8527 -7.7731 -7.7731 -2.3750 -2.3750 -2.3004 -2.3004 -1.8700 -1.8700 -1.2528 -1.2528 -0.8027 -0.8027 -0.2336 -0.2336 -0.0615 -0.0615 0.1078 0.1078 3.4805 3.4805 5.4844 5.4844 6.2974 6.2974 6.4944 6.4944 7.6034 7.6034 7.9271 7.9271 11.8033 11.8033 14.7421 14.7421 15.4476 15.4476 16.7014 16.7014 k = 0.5000-0.5975-0.9695 ( 2428 PWs) bands (ev): -16.7115 -16.7115 -7.8456 -7.8456 -7.7785 -7.7785 -2.3663 -2.3663 -2.2994 -2.2994 -1.8699 -1.8699 -1.2686 -1.2686 -0.8046 -0.8046 -0.2279 -0.2279 -0.0589 -0.0589 0.1003 0.1003 3.4745 3.4745 5.5238 5.5238 6.2699 6.2699 6.4598 6.4598 7.6166 7.6166 7.9232 7.9232 11.8140 11.8140 14.8388 14.8388 15.5004 15.5004 16.6062 16.6062 k = 0.5000-0.5867-0.9873 ( 2436 PWs) bands (ev): -16.7104 -16.7104 -7.8387 -7.8387 -7.7838 -7.7838 -2.3583 -2.3583 -2.2991 -2.2991 -1.8697 -1.8697 -1.2831 -1.2831 -0.8059 -0.8059 -0.2233 -0.2233 -0.0554 -0.0554 0.0935 0.0935 3.4703 3.4703 5.5629 5.5629 6.2407 6.2407 6.4232 6.4232 7.6332 7.6332 7.9205 7.9205 11.8248 11.8248 14.9305 14.9305 15.5516 15.5516 16.5133 16.5133 k = 0.5000-0.5760-1.0051 ( 2436 PWs) bands (ev): -16.7094 -16.7094 -7.8323 -7.8323 -7.7889 -7.7889 -2.3511 -2.3511 -2.2995 -2.2995 -1.8694 -1.8694 -1.2960 -1.2960 -0.8068 -0.8068 -0.2197 -0.2197 -0.0515 -0.0515 0.0877 0.0877 3.4678 3.4678 5.6014 5.6014 6.2106 6.2106 6.3853 6.3853 7.6528 7.6528 7.9188 7.9188 11.8356 11.8356 15.0154 15.0154 15.6018 15.6018 16.4224 16.4224 k = 0.5000-0.5652-1.0229 ( 2442 PWs) bands (ev): -16.7086 -16.7086 -7.8263 -7.8263 -7.7937 -7.7937 -2.3449 -2.3449 -2.3004 -2.3004 -1.8691 -1.8691 -1.3069 -1.3069 -0.8074 -0.8074 -0.2172 -0.2172 -0.0475 -0.0475 0.0831 0.0831 3.4672 3.4672 5.6386 5.6386 6.1803 6.1803 6.3468 6.3468 7.6746 7.6746 7.9183 7.9183 11.8462 11.8462 15.0910 15.0910 15.6513 15.6513 16.3337 16.3337 k = 0.5000-0.5544-1.0407 ( 2440 PWs) bands (ev): -16.7080 -16.7080 -7.8211 -7.8211 -7.7981 -7.7981 -2.3400 -2.3400 -2.3015 -2.3015 -1.8687 -1.8687 -1.3156 -1.3156 -0.8077 -0.8077 -0.2155 -0.2155 -0.0437 -0.0437 0.0800 0.0800 3.4683 3.4683 5.6737 5.6737 6.1510 6.1510 6.3084 6.3084 7.6981 7.6981 7.9187 7.9187 11.8564 11.8564 15.1549 15.1549 15.6999 15.6999 16.2471 16.2471 k = 0.5000-0.5437-1.0585 ( 2438 PWs) bands (ev): -16.7077 -16.7077 -7.8171 -7.8171 -7.8015 -7.8015 -2.3368 -2.3368 -2.3025 -2.3025 -1.8683 -1.8683 -1.3221 -1.3221 -0.8077 -0.8077 -0.2147 -0.2147 -0.0407 -0.0407 0.0785 0.0785 3.4712 3.4712 5.7054 5.7054 6.1239 6.1239 6.2707 6.2707 7.7228 7.7228 7.9202 7.9202 11.8661 11.8661 15.2053 15.2053 15.7461 15.7461 16.1631 16.1631 k = 0.5000-0.5329-1.0763 ( 2440 PWs) bands (ev): -16.7075 -16.7075 -7.8155 -7.8155 -7.8029 -7.8029 -2.3355 -2.3355 -2.3031 -2.3031 -1.8678 -1.8678 -1.3261 -1.3261 -0.8076 -0.8076 -0.2145 -0.2145 -0.0388 -0.0388 0.0789 0.0789 3.4756 3.4756 5.7321 5.7321 6.1006 6.1006 6.2348 6.2348 7.7482 7.7482 7.9226 7.9226 11.8750 11.8750 15.2407 15.2407 15.7863 15.7863 16.0820 16.0820 k = 0.5000-0.5221-1.0941 ( 2438 PWs) bands (ev): -16.7077 -16.7077 -7.8170 -7.8170 -7.8015 -7.8015 -2.3365 -2.3365 -2.3029 -2.3029 -1.8672 -1.8672 -1.3278 -1.3278 -0.8072 -0.8072 -0.2148 -0.2148 -0.0382 -0.0382 0.0811 0.0811 3.4816 3.4816 5.7517 5.7517 6.0822 6.0822 6.2024 6.2024 7.7738 7.7738 7.9258 7.9258 11.8829 11.8829 15.2614 15.2614 15.8155 15.8155 16.0048 16.0048 k = 0.5000-0.5113-1.1119 ( 2440 PWs) bands (ev): -16.7081 -16.7081 -7.8199 -7.8199 -7.7992 -7.7992 -2.3394 -2.3394 -2.3022 -2.3022 -1.8665 -1.8665 -1.3271 -1.3271 -0.8067 -0.8067 -0.2156 -0.2156 -0.0389 -0.0389 0.0849 0.0849 3.4889 3.4889 5.7623 5.7623 6.0681 6.0681 6.1767 6.1767 7.7994 7.7994 7.9298 7.9298 11.8896 11.8896 15.2681 15.2681 15.8289 15.8289 15.9337 15.9337 k = 0.5000-0.5006-1.1297 ( 2440 PWs) bands (ev): -16.7088 -16.7088 -7.8231 -7.8231 -7.7969 -7.7969 -2.3437 -2.3437 -2.3012 -2.3012 -1.8656 -1.8656 -1.3241 -1.3241 -0.8059 -0.8059 -0.2167 -0.2167 -0.0409 -0.0409 0.0899 0.0899 3.4973 3.4973 5.7633 5.7633 6.0540 6.0540 6.1631 6.1631 7.8245 7.8245 7.9346 7.9346 11.8948 11.8948 15.2629 15.2629 15.8171 15.8171 15.8797 15.8797 k = 0.8170-0.4157-0.9678 ( 2440 PWs) bands (ev): -16.7088 -16.7088 -7.8231 -7.8231 -7.7969 -7.7969 -2.3437 -2.3437 -2.3012 -2.3012 -1.8656 -1.8656 -1.3241 -1.3241 -0.8059 -0.8059 -0.2167 -0.2167 -0.0409 -0.0409 0.0899 0.0899 3.4973 3.4973 5.7633 5.7633 6.0540 6.0540 6.1631 6.1631 7.8245 7.8245 7.9346 7.9346 11.8948 11.8948 15.2629 15.2629 15.8171 15.8171 15.8797 15.8797 k = 0.8115-0.4062-0.9497 ( 2442 PWs) bands (ev): -16.7098 -16.7098 -7.8263 -7.8263 -7.7951 -7.7951 -2.3492 -2.3492 -2.3003 -2.3003 -1.8644 -1.8644 -1.3190 -1.3190 -0.8049 -0.8049 -0.2181 -0.2181 -0.0440 -0.0440 0.0960 0.0960 3.5070 3.5070 5.7559 5.7559 6.0348 6.0348 6.1662 6.1662 7.8492 7.8492 7.9402 7.9402 11.8982 11.8982 15.2478 15.2478 15.7678 15.7678 15.8580 15.8580 k = 0.8061-0.3967-0.9316 ( 2448 PWs) bands (ev): -16.7112 -16.7112 -7.8293 -7.8293 -7.7939 -7.7939 -2.3554 -2.3554 -2.2996 -2.2996 -1.8628 -1.8628 -1.3117 -1.3117 -0.8035 -0.8035 -0.2198 -0.2198 -0.0478 -0.0478 0.1026 0.1026 3.5174 3.5174 5.7425 5.7425 6.0110 6.0110 6.1840 6.1840 7.8727 7.8727 7.9467 7.9467 11.8995 11.8995 15.2256 15.2256 15.7068 15.7068 15.8478 15.8478 k = 0.8006-0.3873-0.9135 ( 2444 PWs) bands (ev): -16.7128 -16.7128 -7.8320 -7.8320 -7.7936 -7.7936 -2.3620 -2.3620 -2.2993 -2.2993 -1.8609 -1.8609 -1.3026 -1.3026 -0.8018 -0.8018 -0.2218 -0.2218 -0.0524 -0.0524 0.1094 0.1094 3.5283 3.5283 5.7258 5.7258 5.9856 5.9856 6.2114 6.2114 7.8946 7.8946 7.9542 7.9542 11.8984 11.8984 15.1989 15.1989 15.6465 15.6465 15.8389 15.8389 k = 0.7951-0.3778-0.8954 ( 2450 PWs) bands (ev): -16.7148 -16.7148 -7.8343 -7.8343 -7.7942 -7.7942 -2.3690 -2.3690 -2.2992 -2.2992 -1.8584 -1.8584 -1.2919 -1.2919 -0.7997 -0.7997 -0.2239 -0.2239 -0.0574 -0.0574 0.1161 0.1161 3.5395 3.5395 5.7080 5.7080 5.9610 5.9610 6.2445 6.2445 7.9142 7.9142 7.9631 7.9631 11.8946 11.8946 15.1699 15.1699 15.5894 15.5894 15.8300 15.8300 k = 0.7897-0.3683-0.8773 ( 2444 PWs) bands (ev): -16.7172 -16.7172 -7.8363 -7.8363 -7.7956 -7.7956 -2.3761 -2.3761 -2.2994 -2.2994 -1.8555 -1.8555 -1.2796 -1.2796 -0.7972 -0.7972 -0.2262 -0.2262 -0.0628 -0.0628 0.1223 0.1223 3.5507 3.5507 5.6907 5.6907 5.9385 5.9385 6.2812 6.2812 7.9309 7.9309 7.9738 7.9738 11.8879 11.8879 15.1405 15.1405 15.5363 15.5363 15.8208 15.8208 k = 0.7842-0.3588-0.8593 ( 2440 PWs) bands (ev): -16.7199 -16.7199 -7.8379 -7.8379 -7.7980 -7.7980 -2.3833 -2.3833 -2.2998 -2.2998 -1.8521 -1.8521 -1.2661 -1.2661 -0.7942 -0.7942 -0.2287 -0.2287 -0.0685 -0.0685 0.1280 0.1280 3.5616 3.5616 5.6749 5.6749 5.9189 5.9189 6.3199 6.3199 7.9445 7.9445 7.9861 7.9861 11.8780 11.8780 15.1122 15.1122 15.4874 15.4874 15.8112 15.8112 k = 0.7788-0.3494-0.8412 ( 2444 PWs) bands (ev): -16.7230 -16.7230 -7.8392 -7.8392 -7.8013 -7.8013 -2.3904 -2.3904 -2.3003 -2.3003 -1.8481 -1.8481 -1.2515 -1.2515 -0.7906 -0.7906 -0.2313 -0.2313 -0.0745 -0.0745 0.1330 0.1330 3.5719 3.5719 5.6615 5.6615 5.9028 5.9028 6.3598 6.3598 7.9554 7.9554 7.9996 7.9996 11.8648 11.8648 15.0858 15.0858 15.4430 15.4430 15.8011 15.8011 k = 0.7733-0.3399-0.8231 ( 2442 PWs) bands (ev): -16.7264 -16.7264 -7.8400 -7.8400 -7.8056 -7.8056 -2.3975 -2.3975 -2.3008 -2.3008 -1.8434 -1.8434 -1.2360 -1.2360 -0.7864 -0.7864 -0.2341 -0.2341 -0.0807 -0.0807 0.1372 0.1372 3.5813 3.5813 5.6510 5.6510 5.8907 5.8907 6.4003 6.4003 7.9646 7.9646 8.0131 8.0131 11.8481 11.8481 15.0621 15.0621 15.4034 15.4034 15.7903 15.7903 k = 0.7678-0.3304-0.8050 ( 2444 PWs) bands (ev): -16.7302 -16.7302 -7.8404 -7.8404 -7.8108 -7.8108 -2.4043 -2.4043 -2.3012 -2.3012 -1.8382 -1.8382 -1.2198 -1.2198 -0.7816 -0.7816 -0.2371 -0.2371 -0.0871 -0.0871 0.1403 0.1403 3.5896 3.5896 5.6437 5.6437 5.8829 5.8829 6.4410 6.4410 7.9726 7.9726 8.0258 8.0258 11.8277 11.8277 15.0414 15.0414 15.3687 15.3687 15.7790 15.7790 k = 0.7624-0.3209-0.7869 ( 2434 PWs) bands (ev): -16.7344 -16.7344 -7.8406 -7.8406 -7.8168 -7.8168 -2.4110 -2.4110 -2.3015 -2.3015 -1.8323 -1.8323 -1.2029 -1.2029 -0.7761 -0.7761 -0.2403 -0.2403 -0.0937 -0.0937 0.1425 0.1425 3.5966 3.5966 5.6401 5.6401 5.8798 5.8798 6.4817 6.4817 7.9799 7.9799 8.0373 8.0373 11.8038 11.8038 15.0237 15.0237 15.3391 15.3391 15.7674 15.7674 k = 0.7569-0.3115-0.7689 ( 2434 PWs) bands (ev): -16.7389 -16.7389 -7.8407 -7.8407 -7.8235 -7.8235 -2.4174 -2.4174 -2.3017 -2.3017 -1.8257 -1.8257 -1.1856 -1.1856 -0.7700 -0.7700 -0.2436 -0.2436 -0.1004 -0.1004 0.1436 0.1436 3.6023 3.6023 5.6402 5.6402 5.8816 5.8816 6.5220 6.5220 7.9867 7.9867 8.0471 8.0471 11.7762 11.7762 15.0089 15.0089 15.3144 15.3144 15.7557 15.7557 k = 0.7514-0.3020-0.7508 ( 2428 PWs) bands (ev): -16.7437 -16.7437 -7.8418 -7.8418 -7.8298 -7.8298 -2.4235 -2.4235 -2.3018 -2.3018 -1.8184 -1.8184 -1.1679 -1.1679 -0.7631 -0.7631 -0.2472 -0.2472 -0.1072 -0.1072 0.1437 0.1437 3.6064 3.6064 5.6443 5.6443 5.8885 5.8885 6.5619 6.5619 7.9929 7.9929 8.0552 8.0552 11.7451 11.7451 14.9967 14.9967 15.2945 15.2945 15.7445 15.7445 k = 0.7460-0.2925-0.7327 ( 2424 PWs) bands (ev): -16.7490 -16.7490 -7.8467 -7.8467 -7.8328 -7.8328 -2.4294 -2.4294 -2.3017 -2.3017 -1.8103 -1.8103 -1.1500 -1.1500 -0.7554 -0.7554 -0.2509 -0.2509 -0.1141 -0.1141 0.1425 0.1425 3.6089 3.6089 5.6523 5.6523 5.9004 5.9004 6.6012 6.6012 7.9986 7.9986 8.0615 8.0615 11.7106 11.7106 14.9868 14.9868 15.2788 15.2788 15.7346 15.7346 k = 0.7405-0.2830-0.7146 ( 2418 PWs) bands (ev): -16.7545 -16.7545 -7.8555 -7.8555 -7.8323 -7.8323 -2.4350 -2.4350 -2.3014 -2.3014 -1.8012 -1.8012 -1.1320 -1.1320 -0.7470 -0.7470 -0.2548 -0.2548 -0.1211 -0.1211 0.1403 0.1403 3.6100 3.6100 5.6643 5.6643 5.9176 5.9176 6.6398 6.6398 8.0037 8.0037 8.0659 8.0659 11.6729 11.6729 14.9788 14.9788 15.2664 15.2664 15.7270 15.7270 k = 0.7350-0.2736-0.6965 ( 2418 PWs) bands (ev): -16.7604 -16.7604 -7.8663 -7.8663 -7.8305 -7.8305 -2.4404 -2.4404 -2.3011 -2.3011 -1.7913 -1.7913 -1.1139 -1.1139 -0.7379 -0.7379 -0.2589 -0.2589 -0.1280 -0.1280 0.1370 0.1370 3.6096 3.6096 5.6802 5.6802 5.9399 5.9399 6.6775 6.6775 8.0081 8.0081 8.0685 8.0685 11.6321 11.6321 14.9725 14.9725 15.2559 15.2559 15.7230 15.7230 k = 0.7296-0.2641-0.6784 ( 2416 PWs) bands (ev): -16.7666 -16.7666 -7.8783 -7.8783 -7.8279 -7.8279 -2.4455 -2.4455 -2.3007 -2.3007 -1.7803 -1.7803 -1.0959 -1.0959 -0.7281 -0.7281 -0.2633 -0.2633 -0.1350 -0.1350 0.1325 0.1325 3.6080 3.6080 5.7000 5.7000 5.9672 5.9672 6.7144 6.7144 8.0116 8.0116 8.0695 8.0695 11.5886 11.5886 14.9676 14.9676 15.2457 15.2457 15.7240 15.7240 k = 0.7241-0.2546-0.6604 ( 2422 PWs) bands (ev): -16.7731 -16.7731 -7.8913 -7.8913 -7.8247 -7.8247 -2.4503 -2.4503 -2.3004 -2.3004 -1.7682 -1.7682 -1.0780 -1.0780 -0.7175 -0.7175 -0.2678 -0.2678 -0.1419 -0.1419 0.1271 0.1271 3.6053 3.6053 5.7237 5.7237 5.9993 5.9993 6.7503 6.7503 8.0138 8.0138 8.0691 8.0691 11.5427 11.5427 14.9639 14.9639 15.2342 15.2342 15.7312 15.7312 k = 0.7186-0.2451-0.6423 ( 2418 PWs) bands (ev): -16.7799 -16.7799 -7.9052 -7.9052 -7.8211 -7.8211 -2.4549 -2.4549 -2.3003 -2.3003 -1.7549 -1.7549 -1.0604 -1.0604 -0.7063 -0.7063 -0.2726 -0.2726 -0.1486 -0.1486 0.1206 0.1206 3.6018 3.6018 5.7510 5.7510 6.0359 6.0359 6.7852 6.7852 8.0145 8.0145 8.0679 8.0679 11.4945 11.4945 14.9608 14.9608 15.2203 15.2203 15.7452 15.7452 k = 0.7132-0.2357-0.6242 ( 2418 PWs) bands (ev): -16.7870 -16.7870 -7.9199 -7.9199 -7.8170 -7.8170 -2.4592 -2.4592 -2.3003 -2.3003 -1.7405 -1.7405 -1.0429 -1.0429 -0.6944 -0.6944 -0.2776 -0.2776 -0.1552 -0.1552 0.1132 0.1132 3.5977 3.5977 5.7820 5.7820 6.0767 6.0767 6.8191 6.8191 8.0128 8.0128 8.0662 8.0662 11.4445 11.4445 14.9575 14.9575 15.2039 15.2039 15.7657 15.7657 k = 0.7077-0.2262-0.6061 ( 2424 PWs) bands (ev): -16.7944 -16.7944 -7.9354 -7.9354 -7.8125 -7.8125 -2.4633 -2.4633 -2.3008 -2.3008 -1.7247 -1.7247 -1.0257 -1.0257 -0.6819 -0.6819 -0.2829 -0.2829 -0.1615 -0.1615 0.1049 0.1049 3.5933 3.5933 5.8166 5.8166 6.1214 6.1214 6.8519 6.8519 8.0082 8.0082 8.0649 8.0649 11.3929 11.3929 14.9525 14.9525 15.1861 15.1861 15.7907 15.7907 k = 0.7022-0.2167-0.5880 ( 2422 PWs) bands (ev): -16.8020 -16.8020 -7.9516 -7.9516 -7.8076 -7.8076 -2.4673 -2.4673 -2.3016 -2.3016 -1.7076 -1.7076 -1.0089 -1.0089 -0.6688 -0.6688 -0.2885 -0.2885 -0.1675 -0.1675 0.0959 0.0959 3.5889 3.5889 5.8546 5.8546 6.1695 6.1695 6.8837 6.8837 8.0005 8.0005 8.0641 8.0641 11.3401 11.3401 14.9431 14.9431 15.1697 15.1697 15.8168 15.8168 k = 0.6968-0.2072-0.5700 ( 2422 PWs) bands (ev): -16.8097 -16.8097 -7.9685 -7.9685 -7.8024 -7.8024 -2.4710 -2.4710 -2.3030 -2.3030 -1.6892 -1.6892 -0.9924 -0.9924 -0.6552 -0.6552 -0.2943 -0.2943 -0.1730 -0.1730 0.0861 0.0861 3.5846 3.5846 5.8958 5.8958 6.2207 6.2207 6.9143 6.9143 7.9896 7.9896 8.0640 8.0640 11.2863 11.2863 14.9261 14.9261 15.1583 15.1583 15.8375 15.8375 k = 0.6913-0.1978-0.5519 ( 2424 PWs) bands (ev): -16.8177 -16.8177 -7.9859 -7.9859 -7.7967 -7.7967 -2.4745 -2.4745 -2.3050 -2.3050 -1.6696 -1.6696 -0.9762 -0.9762 -0.6411 -0.6411 -0.3004 -0.3004 -0.1781 -0.1781 0.0758 0.0758 3.5808 3.5808 5.9403 5.9403 6.2745 6.2745 6.9438 6.9438 7.9758 7.9758 8.0644 8.0644 11.2318 11.2318 14.8988 14.8988 15.1553 15.1553 15.8442 15.8442 k = 0.6858-0.1883-0.5338 ( 2426 PWs) bands (ev): -16.8259 -16.8259 -8.0039 -8.0039 -7.7908 -7.7908 -2.4779 -2.4779 -2.3077 -2.3077 -1.6487 -1.6487 -0.9604 -0.9604 -0.6266 -0.6266 -0.3069 -0.3069 -0.1826 -0.1826 0.0650 0.0650 3.5777 3.5777 5.9878 5.9878 6.3304 6.3304 6.9723 6.9723 7.9595 7.9595 8.0648 8.0648 11.1770 11.1770 14.8606 14.8606 15.1616 15.1616 15.8281 15.8281 k = 0.6804-0.1788-0.5157 ( 2424 PWs) bands (ev): -16.8342 -16.8342 -8.0223 -8.0223 -7.7845 -7.7845 -2.4812 -2.4812 -2.3110 -2.3110 -1.6266 -1.6266 -0.9450 -0.9450 -0.6117 -0.6117 -0.3137 -0.3137 -0.1865 -0.1865 0.0539 0.0539 3.5755 3.5755 6.0382 6.0382 6.3881 6.3881 6.9996 6.9996 7.9408 7.9408 8.0653 8.0653 11.1220 11.1220 14.8127 14.8127 15.1766 15.1766 15.7874 15.7874 k = 0.6749-0.1693-0.4976 ( 2424 PWs) bands (ev): -16.8427 -16.8427 -8.0411 -8.0411 -7.7780 -7.7780 -2.4843 -2.4843 -2.3151 -2.3151 -1.6035 -1.6035 -0.9298 -0.9298 -0.5964 -0.5964 -0.3209 -0.3209 -0.1897 -0.1897 0.0424 0.0424 3.5744 3.5744 6.0912 6.0912 6.4470 6.4470 7.0259 7.0259 7.9201 7.9201 8.0656 8.0656 11.0672 11.0672 14.7570 14.7570 15.1987 15.1987 15.7276 15.7276 k = 0.6694-0.1599-0.4795 ( 2420 PWs) bands (ev): -16.8512 -16.8512 -8.0602 -8.0602 -7.7712 -7.7712 -2.4873 -2.4873 -2.3199 -2.3199 -1.5796 -1.5796 -0.9150 -0.9150 -0.5808 -0.5808 -0.3283 -0.3283 -0.1922 -0.1922 0.0309 0.0309 3.5745 3.5745 6.1467 6.1467 6.5068 6.5068 7.0512 7.0512 7.8976 7.8976 8.0656 8.0656 11.0128 11.0128 14.6948 14.6948 15.2268 15.2268 15.6558 15.6558 k = 0.6640-0.1504-0.4615 ( 2416 PWs) bands (ev): -16.8598 -16.8598 -8.0795 -8.0795 -7.7642 -7.7642 -2.4902 -2.4902 -2.3254 -2.3254 -1.5549 -1.5549 -0.9004 -0.9004 -0.5650 -0.5650 -0.3361 -0.3361 -0.1940 -0.1940 0.0193 0.0193 3.5760 3.5760 6.2044 6.2044 6.5671 6.5671 7.0756 7.0756 7.8734 7.8734 8.0653 8.0653 10.9590 10.9590 14.6274 14.6274 15.2593 15.2593 15.5779 15.5779 k = 0.6585-0.1409-0.4434 ( 2416 PWs) bands (ev): -16.8685 -16.8685 -8.0991 -8.0991 -7.7570 -7.7570 -2.4930 -2.4930 -2.3316 -2.3316 -1.5298 -1.5298 -0.8860 -0.8860 -0.5490 -0.5490 -0.3441 -0.3441 -0.1952 -0.1952 0.0079 0.0079 3.5790 3.5790 6.2641 6.2641 6.6273 6.6273 7.0991 7.0991 7.8478 7.8478 8.0647 8.0647 10.9062 10.9062 14.5556 14.5556 15.2938 15.2938 15.4989 15.4989 k = 0.6530-0.1314-0.4253 ( 2412 PWs) bands (ev): -16.8772 -16.8772 -8.1187 -8.1187 -7.7497 -7.7497 -2.4958 -2.4958 -2.3384 -2.3384 -1.5045 -1.5045 -0.8717 -0.8717 -0.5328 -0.5328 -0.3523 -0.3523 -0.1956 -0.1956 -0.0033 -0.0033 3.5836 3.5836 6.3255 6.3255 6.6871 6.6871 7.1217 7.1217 7.8209 7.8209 8.0638 8.0638 10.8544 10.8544 14.4801 14.4801 15.3190 15.3190 15.4320 15.4320 k = 0.6476-0.1220-0.4072 ( 2408 PWs) bands (ev): -16.8859 -16.8859 -8.1384 -8.1384 -7.7422 -7.7422 -2.4984 -2.4984 -2.3459 -2.3459 -1.4792 -1.4792 -0.8574 -0.8574 -0.5166 -0.5166 -0.3606 -0.3606 -0.1954 -0.1954 -0.0141 -0.0141 3.5897 3.5897 6.3882 6.3882 6.7461 6.7461 7.1437 7.1437 7.7930 7.7930 8.0626 8.0626 10.8040 10.8040 14.4014 14.4014 15.2881 15.2881 15.4245 15.4245 k = 0.6421-0.1125-0.3891 ( 2408 PWs) bands (ev): -16.8945 -16.8945 -8.1580 -8.1580 -7.7346 -7.7346 -2.5010 -2.5010 -2.3540 -2.3540 -1.4542 -1.4542 -0.8430 -0.8430 -0.5004 -0.5004 -0.3689 -0.3689 -0.1946 -0.1946 -0.0244 -0.0244 3.5976 3.5976 6.4519 6.4519 6.8038 6.8038 7.1650 7.1650 7.7644 7.7644 8.0612 8.0612 10.7551 10.7551 14.3200 14.3200 15.2132 15.2132 15.4651 15.4651 k = 0.6366-0.1030-0.3711 ( 2410 PWs) bands (ev): -16.9031 -16.9031 -8.1775 -8.1775 -7.7269 -7.7269 -2.5036 -2.5036 -2.3625 -2.3625 -1.4298 -1.4298 -0.8284 -0.8284 -0.4845 -0.4845 -0.3769 -0.3769 -0.1933 -0.1933 -0.0342 -0.0342 3.6071 3.6071 6.5161 6.5161 6.8599 6.8599 7.1859 7.1859 7.7352 7.7352 8.0597 8.0597 10.7079 10.7079 14.2362 14.2362 15.1301 15.1301 15.5182 15.5182 k = 0.6312-0.0935-0.3530 ( 2406 PWs) bands (ev): -16.9117 -16.9117 -8.1969 -8.1969 -7.7192 -7.7192 -2.5061 -2.5061 -2.3714 -2.3714 -1.4063 -1.4063 -0.8136 -0.8136 -0.4693 -0.4693 -0.3841 -0.3841 -0.1915 -0.1915 -0.0431 -0.0431 3.6183 3.6183 6.5802 6.5802 6.9139 6.9139 7.2064 7.2064 7.7059 7.7059 8.0581 8.0581 10.6625 10.6625 14.1506 14.1506 15.0456 15.0456 15.5772 15.5772 k = 0.6257-0.0841-0.3349 ( 2408 PWs) bands (ev): -16.9201 -16.9201 -8.2160 -8.2160 -7.7114 -7.7114 -2.5086 -2.5086 -2.3808 -2.3808 -1.3839 -1.3839 -0.7985 -0.7985 -0.4558 -0.4558 -0.3895 -0.3895 -0.1894 -0.1894 -0.0512 -0.0512 3.6310 3.6310 6.6437 6.6437 6.9655 6.9655 7.2268 7.2268 7.6769 7.6769 8.0566 8.0566 10.6192 10.6192 14.0635 14.0635 14.9613 14.9613 15.6406 15.6406 k = 0.6202-0.0746-0.3168 ( 2406 PWs) bands (ev): -16.9283 -16.9283 -8.2348 -8.2348 -7.7037 -7.7037 -2.5110 -2.5110 -2.3903 -2.3903 -1.3629 -1.3629 -0.7830 -0.7830 -0.4461 -0.4461 -0.3911 -0.3911 -0.1869 -0.1869 -0.0583 -0.0583 3.6452 3.6452 6.7058 6.7058 7.0141 7.0141 7.2471 7.2471 7.6489 7.6489 8.0553 8.0553 10.5781 10.5781 13.9753 13.9753 14.8778 14.8778 15.7079 15.7079 k = 0.6148-0.0651-0.2987 ( 2410 PWs) bands (ev): -16.9364 -16.9364 -8.2533 -8.2533 -7.6961 -7.6961 -2.5135 -2.5135 -2.4001 -2.4001 -1.3435 -1.3435 -0.7672 -0.7672 -0.4427 -0.4427 -0.3863 -0.3863 -0.1842 -0.1842 -0.0644 -0.0644 3.6609 3.6609 6.7658 6.7658 7.0593 7.0593 7.2672 7.2672 7.6228 7.6228 8.0544 8.0544 10.5392 10.5392 13.8864 13.8864 14.7955 14.7955 15.7787 15.7787 k = 0.6093-0.0556-0.2806 ( 2416 PWs) bands (ev): -16.9444 -16.9444 -8.2713 -8.2713 -7.6885 -7.6885 -2.5159 -2.5159 -2.4100 -2.4100 -1.3258 -1.3258 -0.7510 -0.7510 -0.4453 -0.4453 -0.3756 -0.3756 -0.1813 -0.1813 -0.0693 -0.0693 3.6779 3.6779 6.8225 6.8225 7.1007 7.1007 7.2869 7.2869 7.5999 7.5999 8.0542 8.0542 10.5028 10.5028 13.7971 13.7971 14.7147 14.7147 15.8527 15.8527 k = 0.6038-0.0462-0.2626 ( 2414 PWs) bands (ev): -16.9521 -16.9521 -8.2888 -8.2888 -7.6811 -7.6811 -2.5183 -2.5183 -2.4200 -2.4200 -1.3099 -1.3099 -0.7347 -0.7347 -0.4511 -0.4511 -0.3617 -0.3617 -0.1780 -0.1780 -0.0730 -0.0730 3.6961 3.6961 6.8752 6.8752 7.1378 7.1378 7.3050 7.3050 7.5823 7.5823 8.0546 8.0546 10.4687 10.4687 13.7079 13.7079 14.6357 14.6357 15.9296 15.9296 k = 0.5984-0.0367-0.2445 ( 2412 PWs) bands (ev): -16.9595 -16.9595 -8.3058 -8.3058 -7.6738 -7.6738 -2.5207 -2.5207 -2.4299 -2.4299 -1.2958 -1.2958 -0.7182 -0.7182 -0.4584 -0.4584 -0.3466 -0.3466 -0.1742 -0.1742 -0.0755 -0.0755 3.7154 3.7154 6.9229 6.9229 7.1699 7.1699 7.3197 7.3197 7.5732 7.5732 8.0560 8.0560 10.4372 10.4372 13.6191 13.6191 14.5586 14.5586 16.0091 16.0091 k = 0.5929-0.0272-0.2264 ( 2420 PWs) bands (ev): -16.9667 -16.9667 -8.3221 -8.3221 -7.6667 -7.6667 -2.5230 -2.5230 -2.4397 -2.4397 -1.2836 -1.2836 -0.7017 -0.7017 -0.4662 -0.4662 -0.3315 -0.3315 -0.1699 -0.1699 -0.0767 -0.0767 3.7355 3.7355 6.9647 6.9647 7.1968 7.1968 7.3285 7.3285 7.5759 7.5759 8.0584 8.0584 10.4082 10.4082 13.5312 13.5312 14.4838 14.4838 16.0910 16.0910 k = 0.5875-0.0177-0.2083 ( 2422 PWs) bands (ev): -16.9737 -16.9737 -8.3379 -8.3379 -7.6598 -7.6598 -2.5254 -2.5254 -2.4492 -2.4492 -1.2731 -1.2731 -0.6855 -0.6855 -0.4742 -0.4742 -0.3170 -0.3170 -0.1645 -0.1645 -0.0769 -0.0769 3.7562 3.7562 7.0002 7.0002 7.2179 7.2179 7.3303 7.3303 7.5922 7.5922 8.0620 8.0620 10.3817 10.3817 13.4446 13.4446 14.4115 14.4115 16.1747 16.1747 k = 0.5820-0.0083-0.1902 ( 2420 PWs) bands (ev): -16.9803 -16.9803 -8.3529 -8.3529 -7.6532 -7.6532 -2.5278 -2.5278 -2.4585 -2.4585 -1.2642 -1.2642 -0.6697 -0.6697 -0.4821 -0.4821 -0.3038 -0.3038 -0.1580 -0.1580 -0.0760 -0.0760 3.7775 3.7775 7.0292 7.0292 7.2325 7.2325 7.3268 7.3268 7.6212 7.6212 8.0667 8.0667 10.3578 10.3578 13.3596 13.3596 14.3420 14.3420 16.2600 16.2600 k = 0.5765 0.0012-0.1722 ( 2428 PWs) bands (ev): -16.9866 -16.9866 -8.3671 -8.3671 -7.6469 -7.6469 -2.5302 -2.5302 -2.4673 -2.4673 -1.2568 -1.2568 -0.6545 -0.6545 -0.4897 -0.4897 -0.2923 -0.2923 -0.1499 -0.1499 -0.0741 -0.0741 3.7989 3.7989 7.0518 7.0518 7.2399 7.2399 7.3220 7.3220 7.6598 7.6598 8.0726 8.0726 10.3362 10.3362 13.2767 13.2767 14.2754 14.2754 16.3464 16.3464 k = 0.5711 0.0107-0.1541 ( 2424 PWs) bands (ev): -16.9925 -16.9925 -8.3806 -8.3806 -7.6408 -7.6408 -2.5326 -2.5326 -2.4757 -2.4757 -1.2508 -1.2508 -0.6400 -0.6400 -0.4971 -0.4971 -0.2828 -0.2828 -0.1404 -0.1404 -0.0713 -0.0713 3.8205 3.8205 7.0680 7.0680 7.2402 7.2402 7.3188 7.3188 7.7046 7.7046 8.0794 8.0794 10.3170 10.3170 13.1963 13.1963 14.2121 14.2121 16.4333 16.4333 k = 0.5656 0.0202-0.1360 ( 2424 PWs) bands (ev): -16.9981 -16.9981 -8.3933 -8.3933 -7.6351 -7.6351 -2.5351 -2.5351 -2.4836 -2.4836 -1.2460 -1.2460 -0.6265 -0.6265 -0.5040 -0.5040 -0.2753 -0.2753 -0.1296 -0.1296 -0.0675 -0.0675 3.8418 3.8418 7.0778 7.0778 7.2355 7.2355 7.3180 7.3180 7.7531 7.7531 8.0871 8.0871 10.3000 10.3000 13.1190 13.1190 14.1523 14.1523 16.5201 16.5201 k = 0.5601 0.0296-0.1179 ( 2418 PWs) bands (ev): -17.0033 -17.0033 -8.4050 -8.4050 -7.6297 -7.6297 -2.5376 -2.5376 -2.4908 -2.4908 -1.2421 -1.2421 -0.6139 -0.6139 -0.5105 -0.5105 -0.2696 -0.2696 -0.1183 -0.1183 -0.0626 -0.0626 3.8626 3.8626 7.0815 7.0815 7.2292 7.2292 7.3181 7.3181 7.8031 7.8031 8.0955 8.0955 10.2851 10.2851 13.0452 13.0452 14.0963 14.0963 16.6062 16.6062 k = 0.5547 0.0391-0.0998 ( 2418 PWs) bands (ev): -17.0081 -17.0081 -8.4159 -8.4159 -7.6247 -7.6247 -2.5402 -2.5402 -2.4974 -2.4974 -1.2392 -1.2392 -0.6025 -0.6025 -0.5165 -0.5165 -0.2655 -0.2655 -0.1073 -0.1073 -0.0563 -0.0563 3.8827 3.8827 7.0796 7.0796 7.2237 7.2237 7.3182 7.3182 7.8530 7.8530 8.1043 8.1043 10.2723 10.2723 12.9753 12.9753 14.0442 14.0442 16.6907 16.6907 k = 0.5492 0.0486-0.0817 ( 2414 PWs) bands (ev): -17.0125 -17.0125 -8.4258 -8.4258 -7.6202 -7.6202 -2.5429 -2.5429 -2.5032 -2.5032 -1.2370 -1.2370 -0.5922 -0.5922 -0.5219 -0.5219 -0.2626 -0.2626 -0.0975 -0.0975 -0.0485 -0.0485 3.9019 3.9019 7.0731 7.0731 7.2200 7.2200 7.3177 7.3177 7.9014 7.9014 8.1134 8.1134 10.2612 10.2612 12.9100 12.9100 13.9964 13.9964 16.7727 16.7727 k = 0.5437 0.0581-0.0637 ( 2414 PWs) bands (ev): -17.0164 -17.0164 -8.4348 -8.4348 -7.6160 -7.6160 -2.5456 -2.5456 -2.5082 -2.5082 -1.2354 -1.2354 -0.5832 -0.5832 -0.5266 -0.5266 -0.2605 -0.2605 -0.0894 -0.0894 -0.0392 -0.0392 3.9199 3.9199 7.0636 7.0636 7.2178 7.2178 7.3165 7.3165 7.9472 7.9472 8.1226 8.1226 10.2519 10.2519 12.8497 12.8497 13.9529 13.9529 16.8513 16.8513 k = 0.5383 0.0675-0.0456 ( 2424 PWs) bands (ev): -17.0200 -17.0200 -8.4428 -8.4428 -7.6123 -7.6123 -2.5483 -2.5483 -2.5124 -2.5124 -1.2343 -1.2343 -0.5755 -0.5755 -0.5305 -0.5305 -0.2592 -0.2592 -0.0831 -0.0831 -0.0289 -0.0289 3.9364 3.9364 7.0525 7.0525 7.2167 7.2167 7.3149 7.3149 7.9892 7.9892 8.1317 8.1317 10.2441 10.2441 12.7949 12.7949 13.9141 13.9141 16.9252 16.9252 k = 0.5328 0.0770-0.0275 ( 2424 PWs) bands (ev): -17.0231 -17.0231 -8.4497 -8.4497 -7.6090 -7.6090 -2.5509 -2.5509 -2.5159 -2.5159 -1.2335 -1.2335 -0.5693 -0.5693 -0.5337 -0.5337 -0.2582 -0.2582 -0.0783 -0.0783 -0.0184 -0.0184 3.9512 3.9512 7.0411 7.0411 7.2161 7.2161 7.3130 7.3130 8.0266 8.0266 8.1409 8.1409 10.2377 10.2377 12.7462 12.7462 13.8801 13.8801 16.9932 16.9932 k = 0.5273 0.0865-0.0094 ( 2422 PWs) bands (ev): -17.0257 -17.0257 -8.4557 -8.4557 -7.6063 -7.6063 -2.5534 -2.5534 -2.5186 -2.5186 -1.2330 -1.2330 -0.5645 -0.5645 -0.5358 -0.5358 -0.2576 -0.2576 -0.0747 -0.0747 -0.0084 -0.0084 3.9642 3.9642 7.0304 7.0304 7.2158 7.2158 7.3110 7.3110 8.0582 8.0582 8.1501 8.1501 10.2325 10.2325 12.7040 12.7040 13.8511 13.8511 17.0540 17.0540 k = 0.5219 0.0960 0.0087 ( 2416 PWs) bands (ev): -17.0278 -17.0278 -8.4605 -8.4605 -7.6040 -7.6040 -2.5555 -2.5555 -2.5208 -2.5208 -1.2327 -1.2327 -0.5613 -0.5613 -0.5370 -0.5370 -0.2573 -0.2573 -0.0719 -0.0719 0.0003 0.0003 3.9750 3.9750 7.0209 7.0209 7.2154 7.2154 7.3093 7.3093 8.0834 8.0834 8.1595 8.1595 10.2285 10.2285 12.6688 12.6688 13.8272 13.8272 17.1061 17.1061 k = 0.5164 0.1054 0.0267 ( 2416 PWs) bands (ev): -17.0295 -17.0295 -8.4643 -8.4643 -7.6022 -7.6022 -2.5573 -2.5573 -2.5224 -2.5224 -1.2325 -1.2325 -0.5594 -0.5594 -0.5372 -0.5372 -0.2570 -0.2570 -0.0698 -0.0698 0.0076 0.0076 3.9837 3.9837 7.0131 7.0131 7.2150 7.2150 7.3078 7.3078 8.1016 8.1016 8.1688 8.1688 10.2254 10.2254 12.6409 12.6409 13.8084 13.8084 17.1482 17.1482 k = 0.5109 0.1149 0.0448 ( 2414 PWs) bands (ev): -17.0307 -17.0307 -8.4671 -8.4671 -7.6009 -7.6009 -2.5586 -2.5586 -2.5236 -2.5236 -1.2324 -1.2324 -0.5586 -0.5586 -0.5370 -0.5370 -0.2569 -0.2569 -0.0684 -0.0684 0.0129 0.0129 3.9899 3.9899 7.0073 7.0073 7.2147 7.2147 7.3067 7.3067 8.1135 8.1135 8.1769 8.1769 10.2233 10.2233 12.6208 12.6208 13.7950 13.7950 17.1787 17.1798 k = 0.5055 0.1244 0.0629 ( 2416 PWs) bands (ev): -17.0315 -17.0315 -8.4687 -8.4687 -7.6001 -7.6001 -2.5594 -2.5594 -2.5242 -2.5242 -1.2324 -1.2324 -0.5583 -0.5583 -0.5366 -0.5366 -0.2568 -0.2568 -0.0676 -0.0676 0.0162 0.0162 3.9937 3.9937 7.0038 7.0038 7.2145 7.2145 7.3061 7.3061 8.1200 8.1200 8.1826 8.1826 10.2221 10.2221 12.6086 12.6086 13.7869 13.7869 17.1952 17.1957 k = 0.5000 0.1339 0.0810 ( 2414 PWs) bands (ev): -17.0317 -17.0317 -8.4692 -8.4692 -7.5999 -7.5999 -2.5597 -2.5597 -2.5244 -2.5244 -1.2324 -1.2324 -0.5582 -0.5582 -0.5364 -0.5364 -0.2568 -0.2568 -0.0673 -0.0673 0.0173 0.0173 3.9950 3.9950 7.0026 7.0026 7.2144 7.2144 7.3058 7.3058 8.1220 8.1220 8.1846 8.1846 10.2217 10.2217 12.6045 12.6045 13.7842 13.7842 17.1984 17.2127 k = 0.5000 0.1339 0.0810 ( 2414 PWs) bands (ev): -17.0317 -17.0317 -8.4692 -8.4692 -7.5999 -7.5999 -2.5597 -2.5597 -2.5244 -2.5244 -1.2324 -1.2324 -0.5582 -0.5582 -0.5364 -0.5364 -0.2568 -0.2568 -0.0673 -0.0673 0.0173 0.0173 3.9950 3.9950 7.0026 7.0026 7.2144 7.2144 7.3058 7.3058 8.1220 8.1220 8.1846 8.1846 10.2217 10.2217 12.6045 12.6045 13.7842 13.7842 17.1984 17.1984 k = 0.4800 0.1285 0.0777 ( 2420 PWs) bands (ev): -17.0317 -17.0317 -8.4687 -8.4687 -7.6005 -7.6005 -2.5597 -2.5597 -2.5243 -2.5243 -1.2321 -1.2321 -0.5583 -0.5583 -0.5361 -0.5361 -0.2568 -0.2568 -0.0679 -0.0679 0.0173 0.0173 3.9945 3.9945 7.0046 7.0046 7.2148 7.2148 7.3062 7.3062 8.1215 8.1215 8.1842 8.1842 10.2176 10.2176 12.6085 12.6085 13.7849 13.7849 17.1984 17.1986 k = 0.4600 0.1232 0.0745 ( 2420 PWs) bands (ev): -17.0317 -17.0317 -8.4672 -8.4672 -7.6024 -7.6024 -2.5597 -2.5597 -2.5237 -2.5237 -1.2313 -1.2313 -0.5588 -0.5588 -0.5352 -0.5352 -0.2567 -0.2567 -0.0696 -0.0696 0.0171 0.0171 3.9932 3.9932 7.0105 7.0105 7.2161 7.2161 7.3074 7.3074 8.1201 8.1201 8.1828 8.1828 10.2054 10.2054 12.6204 12.6204 13.7870 13.7870 17.1987 17.2137 k = 0.4400 0.1178 0.0713 ( 2420 PWs) bands (ev): -17.0317 -17.0317 -8.4647 -8.4647 -7.6055 -7.6055 -2.5596 -2.5596 -2.5229 -2.5229 -1.2300 -1.2300 -0.5596 -0.5596 -0.5336 -0.5336 -0.2565 -0.2565 -0.0726 -0.0726 0.0169 0.0169 3.9910 3.9910 7.0203 7.0203 7.2183 7.2183 7.3093 7.3093 8.1178 8.1178 8.1805 8.1805 10.1854 10.1854 12.6397 12.6397 13.7906 13.7906 17.1988 17.1988 k = 0.4200 0.1125 0.0680 ( 2420 PWs) bands (ev): -17.0318 -17.0318 -8.4612 -8.4612 -7.6098 -7.6098 -2.5596 -2.5596 -2.5217 -2.5217 -1.2282 -1.2282 -0.5606 -0.5606 -0.5314 -0.5314 -0.2563 -0.2563 -0.0766 -0.0766 0.0166 0.0166 3.9881 3.9881 7.0338 7.0338 7.2214 7.2214 7.3120 7.3120 8.1146 8.1146 8.1773 8.1773 10.1580 10.1580 12.6662 12.6662 13.7955 13.7955 17.1991 17.1992 k = 0.4000 0.1071 0.0648 ( 2414 PWs) bands (ev): -17.0318 -17.0318 -8.4568 -8.4568 -7.6153 -7.6153 -2.5596 -2.5596 -2.5202 -2.5202 -1.2259 -1.2259 -0.5620 -0.5620 -0.5285 -0.5285 -0.2561 -0.2561 -0.0818 -0.0818 0.0162 0.0162 3.9843 3.9843 7.0509 7.0509 7.2254 7.2254 7.3155 7.3155 8.1106 8.1106 8.1733 8.1733 10.1240 10.1240 12.6990 12.6990 13.8017 13.8017 17.1995 17.2184 k = 0.3800 0.1017 0.0616 ( 2417 PWs) bands (ev): -17.0319 -17.0319 -8.4515 -8.4515 -7.6219 -7.6219 -2.5595 -2.5595 -2.5185 -2.5185 -1.2232 -1.2232 -0.5637 -0.5637 -0.5249 -0.5249 -0.2558 -0.2558 -0.0880 -0.0880 0.0158 0.0158 3.9799 3.9799 7.0713 7.0713 7.2303 7.2303 7.3196 7.3196 8.1058 8.1058 8.1685 8.1685 10.0840 10.0840 12.7375 12.7375 13.8090 13.8090 17.2000 17.2000 k = 0.3600 0.0964 0.0583 ( 2411 PWs) bands (ev): -17.0319 -17.0319 -8.4452 -8.4452 -7.6295 -7.6295 -2.5595 -2.5595 -2.5165 -2.5165 -1.2200 -1.2200 -0.5656 -0.5656 -0.5207 -0.5207 -0.2554 -0.2554 -0.0953 -0.0953 0.0152 0.0152 3.9749 3.9749 7.0946 7.0946 7.2363 7.2363 7.3243 7.3243 8.1001 8.1001 8.1629 8.1629 10.0387 10.0387 12.7809 12.7809 13.8174 13.8174 17.2005 17.2006 k = 0.3400 0.0910 0.0551 ( 2417 PWs) bands (ev): -17.0320 -17.0320 -8.4382 -8.4382 -7.6382 -7.6382 -2.5594 -2.5594 -2.5143 -2.5143 -1.2164 -1.2164 -0.5678 -0.5678 -0.5159 -0.5159 -0.2550 -0.2550 -0.1036 -0.1036 0.0146 0.0146 3.9694 3.9694 7.1204 7.1204 7.2437 7.2437 7.3297 7.3297 8.0938 8.0938 8.1566 8.1566 9.9890 9.9890 12.8284 12.8284 13.8267 13.8267 17.2010 17.2010 k = 0.3200 0.0857 0.0518 ( 2417 PWs) bands (ev): -17.0320 -17.0320 -8.4304 -8.4304 -7.6477 -7.6477 -2.5594 -2.5594 -2.5119 -2.5119 -1.2125 -1.2125 -0.5702 -0.5702 -0.5104 -0.5104 -0.2546 -0.2546 -0.1128 -0.1128 0.0140 0.0140 3.9636 3.9636 7.1479 7.1479 7.2528 7.2528 7.3356 7.3356 8.0869 8.0869 8.1498 8.1498 9.9356 9.9356 12.8791 12.8791 13.8368 13.8368 17.2016 17.2018 k = 0.3000 0.0803 0.0486 ( 2417 PWs) bands (ev): -17.0321 -17.0321 -8.4220 -8.4220 -7.6579 -7.6579 -2.5593 -2.5593 -2.5094 -2.5094 -1.2083 -1.2083 -0.5727 -0.5727 -0.5043 -0.5043 -0.2542 -0.2542 -0.1228 -0.1228 0.0133 0.0133 3.9574 3.9574 7.1756 7.1756 7.2647 7.2647 7.3420 7.3420 8.0794 8.0794 8.1425 8.1425 9.8794 9.8794 12.9322 12.9322 13.8474 13.8474 17.2022 17.2022 k = 0.2800 0.0750 0.0454 ( 2417 PWs) bands (ev): -17.0322 -17.0322 -8.4129 -8.4129 -7.6689 -7.6689 -2.5593 -2.5593 -2.5068 -2.5068 -1.2038 -1.2038 -0.5755 -0.5755 -0.4975 -0.4975 -0.2537 -0.2537 -0.1337 -0.1337 0.0126 0.0126 3.9510 3.9510 7.2015 7.2015 7.2811 7.2811 7.3488 7.3488 8.0714 8.0714 8.1348 8.1348 9.8209 9.8209 12.9869 12.9869 13.8584 13.8584 17.2028 17.2029 k = 0.2600 0.0696 0.0421 ( 2417 PWs) bands (ev): -17.0323 -17.0323 -8.4034 -8.4034 -7.6804 -7.6804 -2.5592 -2.5592 -2.5041 -2.5041 -1.1992 -1.1992 -0.5783 -0.5783 -0.4901 -0.4901 -0.2532 -0.2532 -0.1454 -0.1454 0.0118 0.0118 3.9445 3.9445 7.2231 7.2231 7.3040 7.3040 7.3560 7.3560 8.0632 8.0632 8.1267 8.1267 9.7611 9.7611 13.0425 13.0425 13.8697 13.8697 17.2034 17.2034 k = 0.2400 0.0643 0.0389 ( 2417 PWs) bands (ev): -17.0323 -17.0323 -8.3934 -8.3934 -7.6923 -7.6923 -2.5591 -2.5591 -2.5014 -2.5014 -1.1945 -1.1945 -0.5813 -0.5813 -0.4821 -0.4821 -0.2527 -0.2527 -0.1576 -0.1576 0.0111 0.0111 3.9381 3.9381 7.2397 7.2397 7.3337 7.3337 7.3633 7.3633 8.0547 8.0547 8.1185 8.1185 9.7005 9.7005 13.0982 13.0982 13.8810 13.8810 17.2040 17.2045 k = 0.2200 0.0589 0.0356 ( 2414 PWs) bands (ev): -17.0324 -17.0324 -8.3832 -8.3832 -7.7044 -7.7044 -2.5591 -2.5591 -2.4987 -2.4987 -1.1897 -1.1897 -0.5842 -0.5842 -0.4735 -0.4735 -0.2522 -0.2522 -0.1705 -0.1705 0.0103 0.0103 3.9318 3.9318 7.2524 7.2524 7.3683 7.3683 7.3708 7.3708 8.0460 8.0460 8.1102 8.1102 9.6400 9.6400 13.1533 13.1533 13.8921 13.8921 17.2045 17.2045 k = 0.2000 0.0535 0.0324 ( 2420 PWs) bands (ev): -17.0325 -17.0325 -8.3729 -8.3729 -7.7166 -7.7166 -2.5590 -2.5590 -2.4961 -2.4961 -1.1850 -1.1850 -0.5871 -0.5871 -0.4644 -0.4644 -0.2517 -0.2517 -0.1838 -0.1838 0.0096 0.0096 3.9257 3.9257 7.2628 7.2628 7.3783 7.3783 7.4057 7.4057 8.0374 8.0374 8.1019 8.1019 9.5802 9.5802 13.2069 13.2069 13.9029 13.9029 17.2050 17.2051 k = 0.1800 0.0482 0.0292 ( 2408 PWs) bands (ev): -17.0325 -17.0325 -8.3627 -8.3627 -7.7286 -7.7286 -2.5590 -2.5590 -2.4937 -2.4937 -1.1804 -1.1804 -0.5900 -0.5900 -0.4547 -0.4547 -0.2513 -0.2513 -0.1976 -0.1976 0.0089 0.0089 3.9199 3.9199 7.2718 7.2718 7.3856 7.3856 7.4443 7.4443 8.0290 8.0290 8.0939 8.0939 9.5219 9.5219 13.2585 13.2585 13.9131 13.9131 17.2055 17.2057 k = 0.1600 0.0428 0.0259 ( 2408 PWs) bands (ev): -17.0326 -17.0326 -8.3526 -8.3526 -7.7404 -7.7404 -2.5589 -2.5589 -2.4913 -2.4913 -1.1759 -1.1759 -0.5928 -0.5928 -0.4445 -0.4445 -0.2508 -0.2508 -0.2116 -0.2116 0.0082 0.0082 3.9145 3.9145 7.2798 7.2798 7.3927 7.3927 7.4828 7.4828 8.0209 8.0209 8.0862 8.0862 9.4660 9.4660 13.3072 13.3072 13.9225 13.9225 17.2059 17.2059 k = 0.1400 0.0375 0.0227 ( 2409 PWs) bands (ev): -17.0327 -17.0327 -8.3430 -8.3430 -7.7515 -7.7515 -2.5589 -2.5589 -2.4892 -2.4892 -1.1718 -1.1718 -0.5953 -0.5953 -0.4339 -0.4339 -0.2504 -0.2504 -0.2258 -0.2258 0.0076 0.0076 3.9096 3.9096 7.2869 7.2869 7.3995 7.3995 7.5204 7.5204 8.0132 8.0132 8.0790 8.0790 9.4132 9.4132 13.3525 13.3525 13.9311 13.9311 17.2063 17.2063 k = 0.1200 0.0321 0.0194 ( 2409 PWs) bands (ev): -17.0327 -17.0327 -8.3340 -8.3340 -7.7619 -7.7619 -2.5588 -2.5588 -2.4873 -2.4873 -1.1680 -1.1680 -0.5977 -0.5977 -0.4228 -0.4228 -0.2501 -0.2501 -0.2400 -0.2400 0.0070 0.0070 3.9052 3.9052 7.2932 7.2932 7.4057 7.4057 7.5559 7.5559 8.0062 8.0062 8.0724 8.0724 9.3645 9.3645 13.3935 13.3935 13.9387 13.9387 17.2066 17.2066 k = 0.1000 0.0268 0.0162 ( 2424 PWs) bands (ev): -17.0328 -17.0328 -8.3259 -8.3259 -7.7713 -7.7713 -2.5588 -2.5588 -2.4856 -2.4856 -1.1647 -1.1647 -0.5998 -0.5998 -0.4116 -0.4116 -0.2540 -0.2540 -0.2497 -0.2497 0.0066 0.0066 3.9013 3.9013 7.2987 7.2987 7.4112 7.4112 7.5884 7.5884 7.9998 7.9998 8.0664 8.0664 9.3208 9.3208 13.4296 13.4296 13.9451 13.9451 17.2069 17.2069 k = 0.0800 0.0214 0.0130 ( 2424 PWs) bands (ev): -17.0328 -17.0328 -8.3189 -8.3189 -7.7793 -7.7793 -2.5587 -2.5587 -2.4842 -2.4842 -1.1619 -1.1619 -0.6016 -0.6016 -0.4003 -0.4003 -0.2677 -0.2677 -0.2495 -0.2495 0.0061 0.0061 3.8981 3.8981 7.3033 7.3033 7.4160 7.4160 7.6169 7.6169 7.9945 7.9945 8.0614 8.0614 9.2833 9.2833 13.4602 13.4602 13.9504 13.9504 17.2071 17.2072 k = 0.0600 0.0161 0.0097 ( 2418 PWs) bands (ev): -17.0328 -17.0328 -8.3132 -8.3132 -7.7859 -7.7859 -2.5587 -2.5587 -2.4831 -2.4831 -1.1596 -1.1596 -0.6030 -0.6030 -0.3893 -0.3893 -0.2806 -0.2806 -0.2492 -0.2492 0.0058 0.0058 3.8956 3.8956 7.3070 7.3070 7.4199 7.4199 7.6404 7.6404 7.9901 7.9901 8.0574 8.0574 9.2528 9.2528 13.4847 13.4847 13.9545 13.9545 17.2073 17.2073 k = 0.0400 0.0107 0.0065 ( 2421 PWs) bands (ev): -17.0329 -17.0329 -8.3089 -8.3089 -7.7908 -7.7908 -2.5587 -2.5587 -2.4822 -2.4822 -1.1579 -1.1579 -0.6040 -0.6040 -0.3794 -0.3794 -0.2919 -0.2919 -0.2491 -0.2491 0.0056 0.0056 3.8938 3.8938 7.3097 7.3097 7.4227 7.4227 7.6579 7.6579 7.9869 7.9869 8.0544 8.0544 9.2302 9.2302 13.5025 13.5025 13.9574 13.9574 17.2074 17.2074 k = 0.0200 0.0054 0.0032 ( 2427 PWs) bands (ev): -17.0329 -17.0329 -8.3063 -8.3063 -7.7937 -7.7937 -2.5587 -2.5587 -2.4817 -2.4817 -1.1569 -1.1569 -0.6047 -0.6047 -0.3718 -0.3718 -0.3003 -0.3003 -0.2490 -0.2490 0.0054 0.0054 3.8927 3.8927 7.3113 7.3113 7.4244 7.4244 7.6687 7.6687 7.9850 7.9850 8.0526 8.0526 9.2163 9.2163 13.5134 13.5134 13.9592 13.9592 17.2075 17.2075 k = 0.0000 0.0000 0.0000 ( 2427 PWs) bands (ev): -17.0329 -17.0329 -8.3054 -8.3054 -7.7947 -7.7947 -2.5587 -2.5587 -2.4816 -2.4816 -1.1566 -1.1566 -0.6049 -0.6049 -0.3689 -0.3689 -0.3035 -0.3035 -0.2490 -0.2490 0.0054 0.0054 3.8923 3.8923 7.3118 7.3118 7.4250 7.4250 7.6724 7.6724 7.9843 7.9843 8.0520 8.0520 9.2116 9.2116 13.5171 13.5171 13.9597 13.9597 17.2075 17.2075 k = 0.0000 0.0000 0.0000 ( 2427 PWs) bands (ev): -17.0329 -17.0329 -8.3054 -8.3054 -7.7947 -7.7947 -2.5587 -2.5587 -2.4816 -2.4816 -1.1566 -1.1566 -0.6049 -0.6049 -0.3689 -0.3689 -0.3035 -0.3035 -0.2490 -0.2490 0.0054 0.0054 3.8923 3.8923 7.3118 7.3118 7.4250 7.4250 7.6724 7.6724 7.9843 7.9843 8.0520 8.0520 9.2116 9.2116 13.5171 13.5171 13.9597 13.9597 17.2075 17.2075 k = 0.0054-0.0094-0.0179 ( 2425 PWs) bands (ev): -17.0326 -17.0326 -8.3050 -8.3050 -7.7948 -7.7948 -2.5585 -2.5585 -2.4815 -2.4815 -1.1571 -1.1571 -0.6049 -0.6049 -0.3689 -0.3689 -0.3039 -0.3039 -0.2485 -0.2485 0.0044 0.0044 3.8920 3.8920 7.3095 7.3095 7.4228 7.4228 7.6705 7.6705 7.9846 7.9846 8.0521 8.0521 9.2166 9.2166 13.5193 13.5193 13.9620 13.9620 17.2063 17.2064 k = 0.0108-0.0188-0.0359 ( 2425 PWs) bands (ev): -17.0319 -17.0319 -8.3038 -8.3038 -7.7949 -7.7949 -2.5580 -2.5580 -2.4811 -2.4811 -1.1587 -1.1587 -0.6048 -0.6048 -0.3689 -0.3689 -0.3051 -0.3051 -0.2472 -0.2472 0.0015 0.0015 3.8910 3.8910 7.3023 7.3023 7.4163 7.4163 7.6650 7.6650 7.9854 7.9854 8.0525 8.0525 9.2315 9.2315 13.5260 13.5260 13.9689 13.9689 17.2007 17.2007 k = 0.0163-0.0282-0.0538 ( 2425 PWs) bands (ev): -17.0307 -17.0307 -8.3017 -8.3017 -7.7951 -7.7951 -2.5571 -2.5571 -2.4804 -2.4804 -1.1614 -1.1614 -0.6049 -0.6049 -0.3690 -0.3690 -0.3069 -0.3069 -0.2450 -0.2450 -0.0034 -0.0034 3.8894 3.8894 7.2901 7.2901 7.4065 7.4065 7.6561 7.6561 7.9865 7.9865 8.0529 8.0529 9.2559 9.2559 13.5370 13.5370 13.9803 13.9803 17.1865 17.1865 k = 0.0217-0.0376-0.0717 ( 2419 PWs) bands (ev): -17.0291 -17.0291 -8.2989 -8.2989 -7.7954 -7.7954 -2.5558 -2.5558 -2.4795 -2.4795 -1.1651 -1.1651 -0.6051 -0.6051 -0.3690 -0.3690 -0.3091 -0.3091 -0.2422 -0.2422 -0.0100 -0.0100 3.8872 3.8872 7.2726 7.2726 7.3940 7.3940 7.6445 7.6445 7.9876 7.9876 8.0531 8.0531 9.2892 9.2892 13.5522 13.5522 13.9962 13.9962 17.1628 17.1629 k = 0.0271-0.0470-0.0897 ( 2417 PWs) bands (ev): -17.0269 -17.0269 -8.2952 -8.2952 -7.7957 -7.7957 -2.5543 -2.5543 -2.4783 -2.4783 -1.1698 -1.1698 -0.6057 -0.6057 -0.3691 -0.3691 -0.3117 -0.3117 -0.2388 -0.2388 -0.0183 -0.0183 3.8841 3.8841 7.2500 7.2500 7.3798 7.3798 7.6305 7.6305 7.9883 7.9883 8.0529 8.0529 9.3305 9.3305 13.5715 13.5715 14.0166 14.0166 17.1312 17.1312 k = 0.0325-0.0564-0.1076 ( 2415 PWs) bands (ev): -17.0243 -17.0243 -8.2908 -8.2908 -7.7962 -7.7962 -2.5525 -2.5525 -2.4767 -2.4767 -1.1755 -1.1755 -0.6069 -0.6069 -0.3691 -0.3691 -0.3145 -0.3145 -0.2349 -0.2349 -0.0281 -0.0281 3.8803 3.8803 7.2227 7.2227 7.3640 7.3640 7.6150 7.6150 7.9884 7.9884 8.0520 8.0520 9.3791 9.3791 13.5946 13.5946 14.0413 14.0413 17.0930 17.0930 k = 0.0379-0.0658-0.1255 ( 2411 PWs) bands (ev): -17.0213 -17.0213 -8.2856 -8.2856 -7.7967 -7.7967 -2.5504 -2.5504 -2.4749 -2.4749 -1.1822 -1.1822 -0.6088 -0.6088 -0.3691 -0.3691 -0.3173 -0.3173 -0.2305 -0.2305 -0.0391 -0.0391 3.8757 3.8757 7.1916 7.1916 7.3466 7.3466 7.5984 7.5984 7.9876 7.9876 8.0501 8.0501 9.4341 9.4341 13.6213 13.6213 14.0703 14.0703 17.0496 17.0496 k = 0.0434-0.0752-0.1435 ( 2411 PWs) bands (ev): -17.0178 -17.0178 -8.2797 -8.2797 -7.7973 -7.7973 -2.5480 -2.5480 -2.4727 -2.4727 -1.1898 -1.1898 -0.6118 -0.6118 -0.3690 -0.3690 -0.3200 -0.3200 -0.2256 -0.2256 -0.0513 -0.0513 3.8701 3.8701 7.1578 7.1578 7.3273 7.3273 7.5816 7.5816 7.9856 7.9856 8.0472 8.0472 9.4945 9.4945 13.6513 13.6513 14.1033 14.1033 17.0020 17.0020 k = 0.0488-0.0846-0.1614 ( 2413 PWs) bands (ev): -17.0139 -17.0139 -8.2730 -8.2730 -7.7979 -7.7979 -2.5455 -2.5455 -2.4700 -2.4700 -1.1983 -1.1983 -0.6160 -0.6160 -0.3688 -0.3688 -0.3226 -0.3226 -0.2205 -0.2205 -0.0642 -0.0642 3.8637 3.8637 7.1220 7.1220 7.3058 7.3058 7.5648 7.5648 7.9825 7.9825 8.0431 8.0431 9.5595 9.5595 13.6842 13.6842 14.1404 14.1404 16.9512 16.9512 k = 0.0542-0.0940-0.1793 ( 2417 PWs) bands (ev): -17.0095 -17.0095 -8.2656 -8.2656 -7.7987 -7.7987 -2.5429 -2.5429 -2.4670 -2.4670 -1.2078 -1.2078 -0.6216 -0.6216 -0.3685 -0.3685 -0.3250 -0.3250 -0.2150 -0.2150 -0.0777 -0.0777 3.8562 3.8562 7.0853 7.0853 7.2821 7.2821 7.5485 7.5485 7.9781 7.9781 8.0377 8.0377 9.6281 9.6281 13.7197 13.7197 14.1813 14.1813 16.8981 16.8981 k = 0.0596-0.1034-0.1973 ( 2413 PWs) bands (ev): -17.0048 -17.0048 -8.2575 -8.2575 -7.7995 -7.7995 -2.5401 -2.5401 -2.4635 -2.4635 -1.2182 -1.2182 -0.6288 -0.6288 -0.3680 -0.3680 -0.3272 -0.3272 -0.2093 -0.2093 -0.0913 -0.0913 3.8476 3.8476 7.0482 7.0482 7.2560 7.2560 7.5329 7.5329 7.9723 7.9723 8.0310 8.0310 9.6998 9.6998 13.7573 13.7573 14.2258 14.2258 16.8438 16.8438 k = 0.0650-0.1128-0.2152 ( 2417 PWs) bands (ev): -16.9996 -16.9996 -8.2488 -8.2488 -7.8003 -7.8003 -2.5373 -2.5373 -2.4595 -2.4595 -1.2295 -1.2295 -0.6375 -0.6375 -0.3673 -0.3673 -0.3291 -0.3291 -0.2037 -0.2037 -0.1047 -0.1047 3.8380 3.8380 7.0113 7.0113 7.2277 7.2277 7.5181 7.5181 7.9653 7.9653 8.0229 8.0229 9.7737 9.7737 13.7966 13.7966 14.2739 14.2739 16.7889 16.7889 k = 0.0705-0.1222-0.2331 ( 2413 PWs) bands (ev): -16.9941 -16.9941 -8.2395 -8.2395 -7.8012 -7.8012 -2.5344 -2.5344 -2.4550 -2.4550 -1.2419 -1.2419 -0.6478 -0.6478 -0.3666 -0.3666 -0.3308 -0.3308 -0.1985 -0.1985 -0.1171 -0.1171 3.8273 3.8273 6.9750 6.9750 7.1975 7.1975 7.5040 7.5040 7.9569 7.9569 8.0134 8.0134 9.8493 9.8493 13.8371 13.8371 14.3252 14.3252 16.7341 16.7341 k = 0.0759-0.1316-0.2511 ( 2415 PWs) bands (ev): -16.9882 -16.9882 -8.2295 -8.2295 -7.8022 -7.8022 -2.5316 -2.5316 -2.4500 -2.4500 -1.2552 -1.2552 -0.6596 -0.6596 -0.3659 -0.3659 -0.3324 -0.3324 -0.1945 -0.1945 -0.1277 -0.1277 3.8154 3.8154 6.9396 6.9396 7.1657 7.1657 7.4905 7.4905 7.9472 7.9472 8.0026 8.0026 9.9259 9.9259 13.8783 13.8783 14.3796 14.3796 16.6801 16.6801 k = 0.0813-0.1410-0.2690 ( 2417 PWs) bands (ev): -16.9820 -16.9820 -8.2190 -8.2190 -7.8032 -7.8032 -2.5288 -2.5288 -2.4445 -2.4445 -1.2696 -1.2696 -0.6728 -0.6728 -0.3654 -0.3654 -0.3337 -0.3337 -0.1930 -0.1930 -0.1349 -0.1349 3.8025 3.8025 6.9053 6.9053 7.1326 7.1326 7.4774 7.4774 7.9363 7.9363 7.9905 7.9905 10.0031 10.0031 13.9198 13.9198 14.4368 14.4368 16.6273 16.6273 k = 0.0867-0.1504-0.2869 ( 2417 PWs) bands (ev): -16.9755 -16.9755 -8.2080 -8.2080 -7.8043 -7.8043 -2.5260 -2.5260 -2.4384 -2.4384 -1.2851 -1.2851 -0.6870 -0.6870 -0.3654 -0.3654 -0.3347 -0.3347 -0.1952 -0.1952 -0.1373 -0.1373 3.7886 3.7886 6.8723 6.8723 7.0987 7.0987 7.4646 7.4646 7.9242 7.9242 7.9771 7.9771 10.0803 10.0803 13.9609 13.9609 14.4967 14.4967 16.5759 16.5759 k = 0.0921-0.1597-0.3048 ( 2417 PWs) bands (ev): -16.9686 -16.9686 -8.1965 -8.1965 -7.8054 -7.8054 -2.5234 -2.5234 -2.4318 -2.4318 -1.3017 -1.3017 -0.7020 -0.7020 -0.3662 -0.3662 -0.3355 -0.3355 -0.2008 -0.2008 -0.1349 -0.1349 3.7737 3.7737 6.8406 6.8406 7.0644 7.0644 7.4520 7.4520 7.9111 7.9111 7.9625 7.9625 10.1571 10.1571 14.0013 14.0013 14.5590 14.5590 16.5258 16.5258 k = 0.0976-0.1691-0.3228 ( 2423 PWs) bands (ev): -16.9615 -16.9615 -8.1846 -8.1846 -7.8066 -7.8066 -2.5207 -2.5207 -2.4247 -2.4247 -1.3195 -1.3195 -0.7177 -0.7177 -0.3683 -0.3683 -0.3359 -0.3359 -0.2081 -0.2081 -0.1293 -0.1293 3.7579 3.7579 6.8100 6.8100 7.0299 7.0299 7.4393 7.4393 7.8969 7.8969 7.9469 7.9469 10.2333 10.2333 14.0404 14.0404 14.6234 14.6234 16.4767 16.4767 k = 0.1030-0.1785-0.3407 ( 2425 PWs) bands (ev): -16.9541 -16.9541 -8.1722 -8.1722 -7.8078 -7.8078 -2.5182 -2.5182 -2.4171 -2.4171 -1.3384 -1.3384 -0.7337 -0.7337 -0.3718 -0.3718 -0.3360 -0.3360 -0.2154 -0.2154 -0.1218 -0.1218 3.7412 3.7412 6.7806 6.7806 6.9957 6.9957 7.4265 7.4265 7.8817 7.8817 7.9302 7.9302 10.3083 10.3083 14.0777 14.0777 14.6898 14.6898 16.4278 16.4278 k = 0.1084-0.1879-0.3586 ( 2419 PWs) bands (ev): -16.9464 -16.9464 -8.1595 -8.1595 -7.8090 -7.8090 -2.5157 -2.5157 -2.4091 -2.4091 -1.3585 -1.3585 -0.7497 -0.7497 -0.3771 -0.3771 -0.3359 -0.3359 -0.2219 -0.2219 -0.1132 -0.1132 3.7239 3.7239 6.7521 6.7521 6.9620 6.9620 7.4134 7.4134 7.8657 7.8657 7.9126 7.9126 10.3819 10.3819 14.1129 14.1129 14.7579 14.7579 16.3778 16.3778 k = 0.1138-0.1973-0.3766 ( 2419 PWs) bands (ev): -16.9386 -16.9386 -8.1465 -8.1465 -7.8102 -7.8102 -2.5132 -2.5132 -2.4007 -2.4007 -1.3798 -1.3798 -0.7656 -0.7656 -0.3843 -0.3843 -0.3356 -0.3356 -0.2270 -0.2270 -0.1040 -0.1040 3.7060 3.7060 6.7244 6.7244 6.9292 6.9292 7.4000 7.4000 7.8490 7.8490 7.8941 7.8941 10.4539 10.4539 14.1455 14.1455 14.8274 14.8274 16.3254 16.3254 k = 0.1193-0.2067-0.3945 ( 2417 PWs) bands (ev): -16.9306 -16.9306 -8.1332 -8.1332 -7.8115 -7.8115 -2.5108 -2.5108 -2.3919 -2.3919 -1.4022 -1.4022 -0.7812 -0.7812 -0.3934 -0.3934 -0.3353 -0.3353 -0.2303 -0.2303 -0.0945 -0.0945 3.6876 3.6876 6.6971 6.6971 6.8974 6.8974 7.3861 7.3861 7.8316 7.8316 7.8751 7.8751 10.5239 10.5239 14.1754 14.1754 14.8983 14.8983 16.2694 16.2694 k = 0.1247-0.2161-0.4124 ( 2419 PWs) bands (ev): -16.9224 -16.9224 -8.1197 -8.1197 -7.8127 -7.8127 -2.5084 -2.5084 -2.3829 -2.3829 -1.4255 -1.4255 -0.7962 -0.7962 -0.4042 -0.4042 -0.3348 -0.3348 -0.2320 -0.2320 -0.0848 -0.0848 3.6689 3.6689 6.6699 6.6699 6.8670 6.8670 7.3717 7.3717 7.8138 7.8138 7.8555 7.8555 10.5919 10.5919 14.2024 14.2024 14.9701 14.9701 16.2093 16.2093 k = 0.1301-0.2255-0.4304 ( 2415 PWs) bands (ev): -16.9140 -16.9140 -8.1060 -8.1060 -7.8140 -7.8140 -2.5059 -2.5059 -2.3736 -2.3736 -1.4498 -1.4498 -0.8107 -0.8107 -0.4167 -0.4167 -0.3343 -0.3343 -0.2321 -0.2321 -0.0751 -0.0751 3.6500 3.6500 6.6427 6.6427 6.8381 6.8381 7.3568 7.3568 7.7956 7.7956 7.8356 7.8356 10.6575 10.6575 14.2265 14.2265 15.0428 15.0428 16.1456 16.1456 k = 0.1355-0.2349-0.4483 ( 2415 PWs) bands (ev): -16.9055 -16.9055 -8.0921 -8.0921 -7.8152 -7.8152 -2.5035 -2.5035 -2.3641 -2.3641 -1.4749 -1.4749 -0.8244 -0.8244 -0.4307 -0.4307 -0.3338 -0.3338 -0.2308 -0.2308 -0.0654 -0.0654 3.6311 3.6311 6.6152 6.6152 6.8107 6.8107 7.3413 7.3413 7.7771 7.7771 7.8155 7.8155 10.7208 10.7208 14.2476 14.2476 15.1160 15.1160 16.0796 16.0796 k = 0.1409-0.2443-0.4662 ( 2419 PWs) bands (ev): -16.8970 -16.8970 -8.0782 -8.0782 -7.8165 -7.8165 -2.5010 -2.5010 -2.3545 -2.3545 -1.5005 -1.5005 -0.8375 -0.8375 -0.4458 -0.4458 -0.3331 -0.3331 -0.2284 -0.2284 -0.0559 -0.0559 3.6123 3.6123 6.5873 6.5873 6.7849 6.7849 7.3252 7.3252 7.7587 7.7587 7.7954 7.7954 10.7815 10.7815 14.2660 14.2660 15.1896 15.1896 16.0128 16.0128 k = 0.1464-0.2537-0.4842 ( 2421 PWs) bands (ev): -16.8884 -16.8884 -8.0643 -8.0643 -7.8177 -7.8177 -2.4985 -2.4985 -2.3448 -2.3448 -1.5266 -1.5266 -0.8499 -0.8499 -0.4619 -0.4619 -0.3322 -0.3322 -0.2251 -0.2251 -0.0466 -0.0466 3.5937 3.5937 6.5589 6.5589 6.7604 6.7604 7.3083 7.3083 7.7403 7.7403 7.7756 7.7756 10.8397 10.8397 14.2820 14.2820 15.2632 15.2632 15.9468 15.9468 k = 0.1518-0.2631-0.5021 ( 2423 PWs) bands (ev): -16.8797 -16.8797 -8.0503 -8.0503 -7.8189 -7.8189 -2.4959 -2.4959 -2.3351 -2.3351 -1.5530 -1.5530 -0.8617 -0.8617 -0.4787 -0.4787 -0.3312 -0.3312 -0.2212 -0.2212 -0.0375 -0.0375 3.5755 3.5755 6.5299 6.5299 6.7370 6.7370 7.2908 7.2908 7.7222 7.7222 7.7562 7.7562 10.8952 10.8952 14.2958 14.2958 15.3364 15.3364 15.8830 15.8830 k = 0.1572-0.2725-0.5200 ( 2427 PWs) bands (ev): -16.8711 -16.8711 -8.0364 -8.0364 -7.8200 -7.8200 -2.4933 -2.4933 -2.3254 -2.3254 -1.5794 -1.5794 -0.8729 -0.8729 -0.4963 -0.4963 -0.3300 -0.3300 -0.2166 -0.2166 -0.0288 -0.0288 3.5579 3.5579 6.5003 6.5003 6.7145 6.7145 7.2725 7.2725 7.7045 7.7045 7.7375 7.7375 10.9481 10.9481 14.3079 14.3079 15.4087 15.4087 15.8228 15.8228 k = 0.1626-0.2819-0.5380 ( 2431 PWs) bands (ev): -16.8625 -16.8625 -8.0226 -8.0226 -7.8212 -7.8212 -2.4906 -2.4906 -2.3158 -2.3158 -1.6057 -1.6057 -0.8836 -0.8836 -0.5143 -0.5143 -0.3285 -0.3285 -0.2117 -0.2117 -0.0203 -0.0203 3.5409 3.5409 6.4704 6.4704 6.6925 6.6925 7.2534 7.2534 7.6875 7.6875 7.7197 7.7197 10.9984 10.9984 14.3186 14.3186 15.4786 15.4786 15.7680 15.7680 k = 0.1680-0.2913-0.5559 ( 2427 PWs) bands (ev): -16.8539 -16.8539 -8.0090 -8.0090 -7.8222 -7.8222 -2.4878 -2.4878 -2.3064 -2.3064 -1.6317 -1.6317 -0.8940 -0.8940 -0.5326 -0.5326 -0.3269 -0.3269 -0.2064 -0.2064 -0.0122 -0.0122 3.5246 3.5246 6.4400 6.4400 6.6706 6.6706 7.2335 7.2335 7.6712 7.6712 7.7030 7.7030 11.0462 11.0462 14.3285 14.3285 15.5417 15.5417 15.7236 15.7236 k = 0.1735-0.3007-0.5738 ( 2427 PWs) bands (ev): -16.8453 -16.8453 -7.9955 -7.9955 -7.8232 -7.8232 -2.4849 -2.4849 -2.2973 -2.2973 -1.6572 -1.6572 -0.9040 -0.9040 -0.5512 -0.5512 -0.3249 -0.3249 -0.2009 -0.2009 -0.0044 -0.0044 3.5091 3.5091 6.4094 6.4094 6.6487 6.6487 7.2129 7.2129 7.6560 7.6560 7.6876 7.6876 11.0915 11.0915 14.3379 14.3379 15.5801 15.5801 15.7073 15.7073 k = 0.1789-0.3101-0.5918 ( 2425 PWs) bands (ev): -16.8369 -16.8369 -7.9822 -7.9822 -7.8242 -7.8242 -2.4819 -2.4819 -2.2884 -2.2884 -1.6821 -1.6821 -0.9140 -0.9140 -0.5698 -0.5698 -0.3227 -0.3227 -0.1952 -0.1952 0.0030 0.0030 3.4946 3.4946 6.3786 6.3786 6.6262 6.6262 7.1913 7.1913 7.6420 7.6420 7.6737 7.6737 11.1345 11.1345 14.3472 14.3472 15.5707 15.5707 15.7424 15.7424 k = 0.1843-0.3195-0.6097 ( 2427 PWs) bands (ev): -16.8286 -16.8286 -7.9693 -7.9693 -7.8250 -7.8250 -2.4788 -2.4788 -2.2799 -2.2799 -1.7062 -1.7062 -0.9239 -0.9239 -0.5883 -0.5883 -0.3202 -0.3202 -0.1894 -0.1894 0.0100 0.0100 3.4810 3.4810 6.3476 6.3476 6.6031 6.6031 7.1689 7.1689 7.6295 7.6295 7.6614 7.6614 11.1753 11.1753 14.3569 14.3569 15.5397 15.5397 15.8027 15.8027 k = 0.1897-0.3289-0.6276 ( 2429 PWs) bands (ev): -16.8204 -16.8204 -7.9566 -7.9566 -7.8258 -7.8258 -2.4756 -2.4756 -2.2718 -2.2718 -1.7293 -1.7293 -0.9339 -0.9339 -0.6066 -0.6066 -0.3174 -0.3174 -0.1836 -0.1836 0.0166 0.0166 3.4685 3.4685 6.3165 6.3165 6.5791 6.5791 7.1457 7.1457 7.6186 7.6186 7.6507 7.6507 11.2140 11.2140 14.3673 14.3673 15.5063 15.5063 15.8688 15.8688 k = 0.1951-0.3383-0.6456 ( 2427 PWs) bands (ev): -16.8124 -16.8124 -7.9443 -7.9443 -7.8265 -7.8265 -2.4723 -2.4723 -2.2641 -2.2641 -1.7513 -1.7513 -0.9443 -0.9443 -0.6246 -0.6246 -0.3143 -0.3143 -0.1776 -0.1776 0.0229 0.0229 3.4571 3.4571 6.2854 6.2854 6.5540 6.5540 7.1216 7.1216 7.6095 7.6095 7.6417 7.6417 11.2508 11.2508 14.3787 14.3787 15.4750 15.4750 15.9358 15.9358 k = 0.2006-0.3477-0.6635 ( 2429 PWs) bands (ev): -16.8046 -16.8046 -7.9323 -7.9323 -7.8272 -7.8272 -2.4689 -2.4689 -2.2570 -2.2570 -1.7721 -1.7721 -0.9552 -0.9552 -0.6420 -0.6420 -0.3110 -0.3110 -0.1717 -0.1717 0.0288 0.0288 3.4468 3.4468 6.2543 6.2543 6.5279 6.5279 7.0965 7.0965 7.6023 7.6023 7.6345 7.6345 11.2859 11.2859 14.3914 14.3914 15.4472 15.4472 16.0022 16.0022 k = 0.2060-0.3571-0.6814 ( 2433 PWs) bands (ev): -16.7970 -16.7970 -7.9208 -7.9208 -7.8277 -7.8277 -2.4653 -2.4653 -2.2506 -2.2506 -1.7915 -1.7915 -0.9666 -0.9666 -0.6587 -0.6587 -0.3074 -0.3074 -0.1657 -0.1657 0.0343 0.0343 3.4377 3.4377 6.2232 6.2232 6.5007 6.5007 7.0706 7.0706 7.5972 7.5972 7.6291 7.6291 11.3194 11.3194 14.4056 14.4056 15.4232 15.4232 16.0671 16.0671 k = 0.2114-0.3665-0.6994 ( 2431 PWs) bands (ev): -16.7896 -16.7896 -7.9098 -7.9098 -7.8281 -7.8281 -2.4617 -2.4617 -2.2447 -2.2447 -1.8096 -1.8096 -0.9788 -0.9788 -0.6745 -0.6745 -0.3035 -0.3035 -0.1597 -0.1597 0.0394 0.0394 3.4297 3.4297 6.1924 6.1924 6.4724 6.4724 7.0438 7.0438 7.5942 7.5942 7.6254 7.6254 11.3516 11.3516 14.4217 14.4217 15.4032 15.4032 16.1301 16.1301 k = 0.2168-0.3759-0.7173 ( 2433 PWs) bands (ev): -16.7825 -16.7825 -7.8992 -7.8992 -7.8283 -7.8283 -2.4579 -2.4579 -2.2396 -2.2396 -1.8261 -1.8261 -0.9918 -0.9918 -0.6894 -0.6894 -0.2993 -0.2993 -0.1538 -0.1538 0.0442 0.0442 3.4229 3.4229 6.1618 6.1618 6.4433 6.4433 7.0161 7.0161 7.5933 7.5933 7.6235 7.6235 11.3826 11.3826 14.4396 14.4396 15.3871 15.3871 16.1906 16.1906 k = 0.2222-0.3853-0.7352 ( 2431 PWs) bands (ev): -16.7756 -16.7756 -7.8891 -7.8891 -7.8285 -7.8285 -2.4540 -2.4540 -2.2352 -2.2352 -1.8411 -1.8411 -1.0057 -1.0057 -0.7033 -0.7033 -0.2949 -0.2949 -0.1478 -0.1478 0.0487 0.0487 3.4172 3.4172 6.1315 6.1315 6.4134 6.4134 6.9875 6.9875 7.5943 7.5943 7.6233 7.6233 11.4126 11.4126 14.4596 14.4596 15.3748 15.3748 16.2482 16.2482 k = 0.2277-0.3947-0.7532 ( 2429 PWs) bands (ev): -16.7690 -16.7690 -7.8796 -7.8796 -7.8285 -7.8285 -2.4500 -2.4500 -2.2316 -2.2316 -1.8544 -1.8544 -1.0206 -1.0206 -0.7160 -0.7160 -0.2903 -0.2903 -0.1419 -0.1419 0.0528 0.0528 3.4127 3.4127 6.1015 6.1015 6.3829 6.3829 6.9581 6.9581 7.5973 7.5973 7.6248 7.6248 11.4417 11.4417 14.4817 14.4817 15.3664 15.3664 16.3024 16.3024 k = 0.2331-0.4041-0.7711 ( 2427 PWs) bands (ev): -16.7627 -16.7627 -7.8707 -7.8707 -7.8284 -7.8284 -2.4458 -2.4458 -2.2288 -2.2288 -1.8661 -1.8661 -1.0365 -1.0365 -0.7276 -0.7276 -0.2855 -0.2855 -0.1359 -0.1359 0.0565 0.0565 3.4092 3.4092 6.0721 6.0721 6.3521 6.3521 6.9279 6.9279 7.6019 7.6019 7.6281 7.6281 11.4700 11.4700 14.5061 14.5061 15.3616 15.3616 16.3528 16.3528 k = 0.2385-0.4135-0.7890 ( 2423 PWs) bands (ev): -16.7568 -16.7568 -7.8623 -7.8623 -7.8281 -7.8281 -2.4415 -2.4415 -2.2269 -2.2269 -1.8761 -1.8761 -1.0533 -1.0533 -0.7381 -0.7381 -0.2805 -0.2805 -0.1300 -0.1300 0.0600 0.0600 3.4069 3.4069 6.0433 6.0433 6.3212 6.3212 6.8969 6.8969 7.6078 7.6078 7.6333 7.6333 11.4978 11.4978 14.5329 14.5329 15.3603 15.3603 16.3987 16.3987 k = 0.2439-0.4229-0.8069 ( 2421 PWs) bands (ev): -16.7511 -16.7511 -7.8547 -7.8547 -7.8276 -7.8276 -2.4369 -2.4369 -2.2258 -2.2258 -1.8845 -1.8845 -1.0709 -1.0709 -0.7474 -0.7474 -0.2753 -0.2753 -0.1240 -0.1240 0.0631 0.0631 3.4055 3.4055 6.0152 6.0152 6.2906 6.2906 6.8652 6.8652 7.6147 7.6147 7.6406 7.6406 11.5250 11.5250 14.5619 14.5619 15.3625 15.3625 16.4397 16.4397 k = 0.2493-0.4323-0.8249 ( 2423 PWs) bands (ev): -16.7458 -16.7458 -7.8478 -7.8478 -7.8268 -7.8268 -2.4323 -2.4323 -2.2256 -2.2256 -1.8911 -1.8911 -1.0892 -1.0892 -0.7557 -0.7557 -0.2701 -0.2701 -0.1181 -0.1181 0.0658 0.0658 3.4051 3.4051 5.9880 5.9880 6.2604 6.2604 6.8328 6.8328 7.6220 7.6220 7.6499 7.6499 11.5518 11.5518 14.5933 14.5933 15.3680 15.3680 16.4752 16.4752 k = 0.2548-0.4417-0.8428 ( 2421 PWs) bands (ev): -16.7408 -16.7408 -7.8418 -7.8418 -7.8256 -7.8256 -2.4274 -2.4274 -2.2263 -2.2263 -1.8962 -1.8962 -1.1081 -1.1081 -0.7631 -0.7631 -0.2648 -0.2648 -0.1122 -0.1122 0.0683 0.0683 3.4057 3.4057 5.9616 5.9616 6.2310 6.2310 6.7997 6.7997 7.6297 7.6297 7.6615 7.6615 11.5782 11.5782 14.6269 14.6269 15.3767 15.3767 16.5045 16.5045 k = 0.2602-0.4511-0.8607 ( 2421 PWs) bands (ev): -16.7362 -16.7362 -7.8368 -7.8368 -7.8238 -7.8238 -2.4222 -2.4222 -2.2278 -2.2278 -1.8998 -1.8998 -1.1274 -1.1274 -0.7696 -0.7696 -0.2595 -0.2595 -0.1062 -0.1062 0.0704 0.0704 3.4071 3.4071 5.9363 5.9363 6.2026 6.2026 6.7660 6.7660 7.6375 7.6375 7.6750 7.6750 11.6043 11.6043 14.6628 14.6628 15.3885 15.3885 16.5272 16.5272 k = 0.2656-0.4604-0.8787 ( 2421 PWs) bands (ev): -16.7319 -16.7319 -7.8331 -7.8331 -7.8214 -7.8214 -2.4169 -2.4169 -2.2302 -2.2302 -1.9018 -1.9018 -1.1470 -1.1470 -0.7754 -0.7754 -0.2542 -0.2542 -0.1003 -0.1003 0.0723 0.0723 3.4093 3.4093 5.9122 5.9122 6.1755 6.1755 6.7317 6.7317 7.6453 7.6453 7.6903 7.6903 11.6299 11.6299 14.7009 14.7009 15.4034 15.4034 16.5426 16.5426 k = 0.2710-0.4698-0.8966 ( 2423 PWs) bands (ev): -16.7280 -16.7280 -7.8305 -7.8305 -7.8183 -7.8183 -2.4112 -2.4112 -2.2334 -2.2334 -1.9025 -1.9025 -1.1665 -1.1665 -0.7805 -0.7805 -0.2490 -0.2490 -0.0943 -0.0943 0.0738 0.0738 3.4122 3.4122 5.8894 5.8894 6.1500 6.1500 6.6970 6.6970 7.6533 7.6533 7.7069 7.7069 11.6551 11.6551 14.7409 14.7409 15.4212 15.4212 16.5503 16.5503 k = 0.2764-0.4792-0.9145 ( 2425 PWs) bands (ev): -16.7244 -16.7244 -7.8285 -7.8285 -7.8150 -7.8150 -2.4053 -2.4053 -2.2373 -2.2373 -1.9020 -1.9020 -1.1860 -1.1860 -0.7850 -0.7850 -0.2440 -0.2440 -0.0883 -0.0883 0.0750 0.0750 3.4158 3.4158 5.8679 5.8679 6.1264 6.1264 6.6618 6.6618 7.6613 7.6613 7.7248 7.7248 11.6799 11.6799 14.7829 14.7829 15.4419 15.4419 16.5498 16.5498 k = 0.2819-0.4886-0.9325 ( 2425 PWs) bands (ev): -16.7212 -16.7212 -7.8269 -7.8269 -7.8119 -7.8119 -2.3991 -2.3991 -2.2420 -2.2420 -1.9003 -1.9003 -1.2051 -1.2051 -0.7889 -0.7889 -0.2392 -0.2392 -0.0824 -0.0824 0.0759 0.0759 3.4200 3.4200 5.8480 5.8480 6.1049 6.1049 6.6262 6.6262 7.6693 7.6693 7.7437 7.7437 11.7041 11.7041 14.8266 14.8266 15.4654 15.4654 16.5408 16.5408 k = 0.2873-0.4980-0.9504 ( 2427 PWs) bands (ev): -16.7184 -16.7184 -7.8255 -7.8255 -7.8092 -7.8092 -2.3925 -2.3925 -2.2474 -2.2474 -1.8977 -1.8977 -1.2236 -1.2236 -0.7925 -0.7925 -0.2347 -0.2347 -0.0765 -0.0765 0.0765 0.0765 3.4248 3.4248 5.8297 5.8297 6.0856 6.0856 6.5904 6.5904 7.6773 7.6773 7.7634 7.7634 11.7275 11.7275 14.8717 14.8717 15.4915 15.4915 16.5231 16.5231 k = 0.2927-0.5074-0.9683 ( 2429 PWs) bands (ev): -16.7159 -16.7159 -7.8241 -7.8241 -7.8069 -7.8069 -2.3857 -2.3857 -2.2534 -2.2534 -1.8943 -1.8943 -1.2414 -1.2414 -0.7956 -0.7956 -0.2305 -0.2305 -0.0706 -0.0706 0.0769 0.0769 3.4300 3.4300 5.8130 5.8130 6.0688 6.0688 6.5543 6.5543 7.6850 7.6850 7.7836 7.7836 11.7502 11.7502 14.9179 14.9179 15.5203 15.5203 16.4972 16.4972 k = 0.2981-0.5168-0.9863 ( 2425 PWs) bands (ev): -16.7137 -16.7137 -7.8227 -7.8227 -7.8051 -7.8051 -2.3786 -2.3786 -2.2600 -2.2600 -1.8903 -1.8903 -1.2582 -1.2582 -0.7983 -0.7983 -0.2267 -0.2267 -0.0649 -0.0649 0.0770 0.0770 3.4355 3.4355 5.7982 5.7982 6.0547 6.0547 6.5181 6.5181 7.6925 7.6925 7.8042 7.8042 11.7718 11.7718 14.9650 14.9650 15.5514 15.5514 16.4636 16.4636 k = 0.3035-0.5262-1.0042 ( 2427 PWs) bands (ev): -16.7119 -16.7119 -7.8213 -7.8213 -7.8038 -7.8038 -2.3712 -2.3712 -2.2670 -2.2670 -1.8860 -1.8860 -1.2738 -1.2738 -0.8007 -0.8007 -0.2234 -0.2234 -0.0594 -0.0594 0.0770 0.0770 3.4414 3.4414 5.7852 5.7852 6.0434 6.0434 6.4819 6.4819 7.6997 7.6997 7.8250 7.8250 11.7923 11.7923 15.0123 15.0123 15.5847 15.5847 16.4236 16.4236 k = 0.3090-0.5356-1.0221 ( 2429 PWs) bands (ev): -16.7104 -16.7104 -7.8199 -7.8199 -7.8030 -7.8030 -2.3637 -2.3637 -2.2744 -2.2744 -1.8816 -1.8816 -1.2879 -1.2879 -0.8027 -0.8027 -0.2205 -0.2205 -0.0543 -0.0543 0.0769 0.0769 3.4475 3.4475 5.7742 5.7742 6.0349 6.0349 6.4457 6.4457 7.7065 7.7065 7.8458 7.8458 11.8113 11.8113 15.0593 15.0593 15.6198 15.6198 16.3782 16.3782 k = 0.3144-0.5450-1.0401 ( 2433 PWs) bands (ev): -16.7092 -16.7092 -7.8185 -7.8185 -7.8026 -7.8026 -2.3560 -2.3560 -2.2821 -2.2821 -1.8773 -1.8773 -1.3003 -1.3003 -0.8044 -0.8044 -0.2181 -0.2181 -0.0495 -0.0495 0.0769 0.0769 3.4537 3.4537 5.7653 5.7653 6.0294 6.0294 6.4099 6.4099 7.7128 7.7128 7.8665 7.8665 11.8289 11.8289 15.1052 15.1052 15.6563 15.6563 16.3270 16.3270 k = 0.3198-0.5544-1.0580 ( 2433 PWs) bands (ev): -16.7084 -16.7084 -7.8173 -7.8173 -7.8025 -7.8025 -2.3485 -2.3485 -2.2897 -2.2897 -1.8735 -1.8735 -1.3106 -1.3106 -0.8058 -0.8058 -0.2163 -0.2163 -0.0454 -0.0454 0.0770 0.0770 3.4600 3.4600 5.7584 5.7584 6.0268 6.0268 6.3744 6.3744 7.7185 7.7185 7.8870 7.8870 11.8446 11.8446 15.1490 15.1490 15.6937 15.6937 16.2681 16.2681 k = 0.3252-0.5638-1.0759 ( 2437 PWs) bands (ev): -16.7078 -16.7078 -7.8163 -7.8163 -7.8027 -7.8027 -2.3416 -2.3416 -2.2967 -2.2967 -1.8705 -1.8705 -1.3187 -1.3187 -0.8068 -0.8068 -0.2150 -0.2150 -0.0421 -0.0421 0.0774 0.0774 3.4662 3.4662 5.7537 5.7537 6.0271 6.0271 6.3396 6.3396 7.7237 7.7237 7.9069 7.9069 11.8583 11.8583 15.1894 15.1894 15.7311 15.7311 16.2004 16.2004 k = 0.3307-0.5732-1.0939 ( 2437 PWs) bands (ev): -16.7076 -16.7076 -7.8156 -7.8156 -7.8028 -7.8028 -2.3366 -2.3366 -2.3019 -2.3019 -1.8684 -1.8684 -1.3242 -1.3242 -0.8075 -0.8075 -0.2143 -0.2143 -0.0399 -0.0399 0.0783 0.0783 3.4724 3.4724 5.7511 5.7511 6.0302 6.0302 6.3057 6.3057 7.7282 7.7282 7.9263 7.9263 11.8699 11.8699 15.2248 15.2248 15.7678 15.7678 16.1242 16.1242 k = 0.3361-0.5826-1.1118 ( 2439 PWs) bands (ev): -16.7076 -16.7076 -7.8156 -7.8156 -7.8028 -7.8028 -2.3359 -2.3359 -2.3029 -2.3029 -1.8676 -1.8676 -1.3270 -1.3270 -0.8078 -0.8078 -0.2141 -0.2141 -0.0389 -0.0389 0.0799 0.0799 3.4783 3.4783 5.7506 5.7506 6.0357 6.0357 6.2733 6.2733 7.7321 7.7321 7.9449 7.9449 11.8790 11.8790 15.2532 15.2532 15.8029 15.8029 16.0414 16.0414 k = 0.3415-0.5920-1.1297 ( 2441 PWs) bands (ev): -16.7078 -16.7078 -7.8164 -7.8164 -7.8023 -7.8023 -2.3400 -2.3400 -2.2989 -2.2989 -1.8683 -1.8683 -1.3269 -1.3269 -0.8077 -0.8077 -0.2145 -0.2145 -0.0393 -0.0393 0.0823 0.0823 3.4840 3.4840 5.7520 5.7520 6.0433 6.0433 6.2430 6.2430 7.7352 7.7352 7.9627 7.9627 11.8857 11.8857 15.2728 15.2728 15.8338 15.8338 15.9558 15.9558 k = 0.6585-0.4581-1.0487 ( 2441 PWs) bands (ev): -16.7078 -16.7078 -7.8164 -7.8164 -7.8023 -7.8023 -2.3400 -2.3400 -2.2989 -2.2989 -1.8683 -1.8683 -1.3269 -1.3269 -0.8077 -0.8077 -0.2145 -0.2145 -0.0393 -0.0393 0.0823 0.0823 3.4840 3.4840 5.7520 5.7520 6.0433 6.0433 6.2430 6.2430 7.7352 7.7352 7.9627 7.9627 11.8857 11.8857 15.2728 15.2728 15.8338 15.8338 15.9558 15.9558 k = 0.6530-0.4377-1.0487 ( 2445 PWs) bands (ev): -16.7083 -16.7083 -7.8180 -7.8180 -7.8014 -7.8014 -2.3472 -2.3472 -2.2919 -2.2919 -1.8705 -1.8705 -1.3238 -1.3238 -0.8071 -0.8071 -0.2154 -0.2154 -0.0411 -0.0411 0.0855 0.0855 3.4895 3.4895 5.7552 5.7552 6.0520 6.0520 6.2159 6.2159 7.7375 7.7375 7.9795 7.9795 11.8896 11.8896 15.2817 15.2817 15.8271 15.8271 15.9026 15.9026 k = 0.6476-0.4173-1.0487 ( 2447 PWs) bands (ev): -16.7090 -16.7090 -7.8204 -7.8204 -7.8001 -7.8001 -2.3557 -2.3557 -2.2835 -2.2835 -1.8744 -1.8744 -1.3177 -1.3177 -0.8060 -0.8060 -0.2169 -0.2169 -0.0444 -0.0444 0.0895 0.0895 3.4945 3.4945 5.7599 5.7599 6.0598 6.0598 6.1946 6.1946 7.7390 7.7390 7.9953 7.9953 11.8907 11.8907 15.2791 15.2791 15.7401 15.7401 15.9272 15.9272 k = 0.6421-0.3969-1.0487 ( 2449 PWs) bands (ev): -16.7100 -16.7100 -7.8233 -7.8233 -7.7985 -7.7985 -2.3647 -2.3647 -2.2747 -2.2747 -1.8800 -1.8800 -1.3087 -1.3087 -0.8043 -0.8043 -0.2190 -0.2190 -0.0491 -0.0491 0.0943 0.0943 3.4990 3.4990 5.7655 5.7655 6.0636 6.0636 6.1826 6.1826 7.7397 7.7397 8.0098 8.0098 11.8888 11.8888 15.2650 15.2650 15.6375 15.6375 15.9672 15.9672 k = 0.6366-0.3765-1.0487 ( 2451 PWs) bands (ev): -16.7111 -16.7111 -7.8266 -7.8266 -7.7968 -7.7968 -2.3740 -2.3740 -2.2655 -2.2655 -1.8871 -1.8871 -1.2970 -1.2970 -0.8020 -0.8020 -0.2218 -0.2218 -0.0549 -0.0549 0.0997 0.0997 3.5030 3.5030 5.7712 5.7712 6.0610 6.0610 6.1833 6.1833 7.7394 7.7394 8.0229 8.0229 11.8840 11.8840 15.2406 15.2406 15.5305 15.5305 16.0129 16.0129 k = 0.6312-0.3561-1.0487 ( 2447 PWs) bands (ev): -16.7124 -16.7124 -7.8303 -7.8303 -7.7950 -7.7950 -2.3832 -2.3832 -2.2563 -2.2563 -1.8956 -1.8956 -1.2829 -1.2829 -0.7990 -0.7990 -0.2252 -0.2252 -0.0616 -0.0616 0.1055 0.1055 3.5064 3.5064 5.7759 5.7759 6.0537 6.0537 6.1959 6.1959 7.7383 7.7383 8.0345 8.0345 11.8761 11.8761 15.2071 15.2071 15.4214 15.4214 16.0630 16.0630 k = 0.6257-0.3356-1.0487 ( 2445 PWs) bands (ev): -16.7138 -16.7138 -7.8343 -7.8343 -7.7931 -7.7931 -2.3924 -2.3924 -2.2471 -2.2471 -1.9053 -1.9053 -1.2667 -1.2667 -0.7953 -0.7953 -0.2293 -0.2293 -0.0691 -0.0691 0.1116 0.1116 3.5092 3.5092 5.7782 5.7782 6.0464 6.0464 6.2169 6.2169 7.7362 7.7362 8.0445 8.0445 11.8653 11.8653 15.1655 15.1655 15.3123 15.3123 16.1165 16.1165 k = 0.6202-0.3152-1.0487 ( 2443 PWs) bands (ev): -16.7153 -16.7153 -7.8385 -7.8385 -7.7912 -7.7912 -2.4014 -2.4014 -2.2381 -2.2381 -1.9160 -1.9160 -1.2487 -1.2487 -0.7906 -0.7906 -0.2342 -0.2342 -0.0771 -0.0771 0.1179 0.1179 3.5113 3.5113 5.7767 5.7767 6.0432 6.0432 6.2436 6.2436 7.7331 7.7331 8.0530 8.0530 11.8515 11.8515 15.1141 15.1141 15.2075 15.2075 16.1726 16.1726 k = 0.6148-0.2948-1.0487 ( 2447 PWs) bands (ev): -16.7170 -16.7170 -7.8429 -7.8429 -7.7893 -7.7893 -2.4102 -2.4102 -2.2292 -2.2292 -1.9275 -1.9275 -1.2294 -1.2294 -0.7850 -0.7850 -0.2399 -0.2399 -0.0853 -0.0853 0.1242 0.1242 3.5128 3.5128 5.7704 5.7704 6.0465 6.0465 6.2742 6.2742 7.7291 7.7291 8.0597 8.0597 11.8350 11.8350 15.0430 15.0430 15.1190 15.1190 16.2303 16.2303 k = 0.6093-0.2744-1.0487 ( 2447 PWs) bands (ev): -16.7187 -16.7187 -7.8474 -7.8474 -7.7874 -7.7874 -2.4187 -2.4187 -2.2206 -2.2206 -1.9395 -1.9395 -1.2091 -1.2091 -0.7783 -0.7783 -0.2466 -0.2466 -0.0935 -0.0935 0.1305 0.1305 3.5136 3.5136 5.7592 5.7592 6.0569 6.0569 6.3080 6.3080 7.7241 7.7241 8.0647 8.0647 11.8159 11.8159 14.9471 14.9471 15.0537 15.0537 16.2888 16.2888 k = 0.6038-0.2540-1.0487 ( 2443 PWs) bands (ev): -16.7205 -16.7205 -7.8520 -7.8520 -7.7855 -7.7855 -2.4269 -2.4269 -2.2122 -2.2122 -1.9520 -1.9520 -1.1883 -1.1883 -0.7704 -0.7704 -0.2543 -0.2543 -0.1015 -0.1015 0.1367 0.1367 3.5137 3.5137 5.7440 5.7440 6.0741 6.0741 6.3443 6.3443 7.7181 7.7181 8.0679 8.0679 11.7943 11.7943 14.8418 14.8418 14.9979 14.9979 16.3475 16.3475 k = 0.5984-0.2336-1.0487 ( 2445 PWs) bands (ev): -16.7223 -16.7223 -7.8567 -7.8567 -7.7836 -7.7836 -2.4348 -2.4348 -2.2041 -2.2041 -1.9647 -1.9647 -1.1672 -1.1672 -0.7614 -0.7614 -0.2631 -0.2631 -0.1091 -0.1091 0.1426 0.1426 3.5132 3.5132 5.7258 5.7258 6.0970 6.0970 6.3826 6.3826 7.7111 7.7111 8.0693 8.0693 11.7706 11.7706 14.7354 14.7354 14.9447 14.9447 16.4056 16.4056 k = 0.5929-0.2132-1.0487 ( 2441 PWs) bands (ev): -16.7242 -16.7242 -7.8613 -7.8613 -7.7818 -7.7818 -2.4423 -2.4423 -2.1964 -2.1964 -1.9774 -1.9774 -1.1462 -1.1462 -0.7510 -0.7510 -0.2730 -0.2730 -0.1161 -0.1161 0.1483 0.1483 3.5121 3.5121 5.7057 5.7057 6.1245 6.1245 6.4226 6.4226 7.7031 7.7031 8.0688 8.0688 11.7451 11.7451 14.6306 14.6306 14.8927 14.8927 16.4626 16.4626 k = 0.5875-0.1927-1.0487 ( 2443 PWs) bands (ev): -16.7261 -16.7261 -7.8660 -7.8660 -7.7801 -7.7801 -2.4494 -2.4494 -2.1891 -2.1891 -1.9901 -1.9901 -1.1257 -1.1257 -0.7393 -0.7393 -0.2839 -0.2839 -0.1225 -0.1225 0.1537 0.1537 3.5105 3.5105 5.6846 5.6846 6.1555 6.1555 6.4640 6.4640 7.6941 7.6941 8.0666 8.0666 11.7179 11.7179 14.5286 14.5286 14.8417 14.8417 16.5179 16.5179 k = 0.5820-0.1723-1.0487 ( 2439 PWs) bands (ev): -16.7279 -16.7279 -7.8705 -7.8705 -7.7784 -7.7784 -2.4560 -2.4560 -2.1822 -2.1822 -2.0025 -2.0025 -1.1060 -1.1060 -0.7263 -0.7263 -0.2957 -0.2957 -0.1282 -0.1282 0.1587 0.1587 3.5083 3.5083 5.6632 5.6632 6.1894 6.1894 6.5063 6.5063 7.6842 7.6842 8.0626 8.0626 11.6896 11.6896 14.4302 14.4302 14.7919 14.7919 16.5711 16.5711 k = 0.5765-0.1519-1.0487 ( 2433 PWs) bands (ev): -16.7298 -16.7298 -7.8749 -7.8749 -7.7768 -7.7768 -2.4623 -2.4623 -2.1758 -2.1758 -2.0145 -2.0145 -1.0872 -1.0872 -0.7120 -0.7120 -0.3084 -0.3084 -0.1332 -0.1332 0.1633 0.1633 3.5057 3.5057 5.6420 5.6420 6.2253 6.2253 6.5493 6.5493 7.6733 7.6733 8.0570 8.0570 11.6604 11.6604 14.3359 14.3359 14.7438 14.7438 16.6217 16.6217 k = 0.5711-0.1315-1.0487 ( 2435 PWs) bands (ev): -16.7316 -16.7316 -7.8792 -7.8792 -7.7753 -7.7753 -2.4681 -2.4681 -2.1698 -2.1698 -2.0260 -2.0260 -1.0695 -1.0695 -0.6966 -0.6966 -0.3217 -0.3217 -0.1376 -0.1376 0.1675 0.1675 3.5027 3.5027 5.6213 5.6213 6.2627 6.2627 6.5926 6.5926 7.6616 7.6616 8.0497 8.0497 11.6308 11.6308 14.2463 14.2463 14.6975 14.6975 16.6694 16.6694 k = 0.5656-0.1111-1.0487 ( 2435 PWs) bands (ev): -16.7333 -16.7333 -7.8833 -7.8833 -7.7739 -7.7739 -2.4734 -2.4734 -2.1644 -2.1644 -2.0369 -2.0369 -1.0531 -1.0531 -0.6802 -0.6802 -0.3355 -0.3355 -0.1413 -0.1413 0.1714 0.1714 3.4994 3.4994 5.6014 5.6014 6.3010 6.3010 6.6357 6.6357 7.6492 7.6492 8.0410 8.0410 11.6011 11.6011 14.1617 14.1617 14.6533 14.6533 16.7139 16.7139 k = 0.5601-0.0907-1.0487 ( 2436 PWs) bands (ev): -16.7349 -16.7349 -7.8872 -7.8872 -7.7725 -7.7725 -2.4783 -2.4783 -2.1595 -2.1595 -2.0471 -2.0471 -1.0379 -1.0379 -0.6631 -0.6631 -0.3496 -0.3496 -0.1446 -0.1446 0.1747 0.1747 3.4959 3.4959 5.5825 5.5825 6.3396 6.3396 6.6784 6.6784 7.6360 7.6360 8.0310 8.0310 11.5718 11.5718 14.0827 14.0827 14.6115 14.6115 16.7550 16.7550 k = 0.5547-0.0703-1.0487 ( 2436 PWs) bands (ev): -16.7365 -16.7365 -7.8909 -7.8909 -7.7713 -7.7713 -2.4828 -2.4828 -2.1552 -2.1552 -2.0565 -2.0565 -1.0241 -1.0241 -0.6456 -0.6456 -0.3639 -0.3639 -0.1474 -0.1474 0.1777 0.1777 3.4923 3.4923 5.5649 5.5649 6.3780 6.3780 6.7202 6.7202 7.6223 7.6223 8.0199 8.0199 11.5433 11.5433 14.0095 14.0095 14.5725 14.5725 16.7925 16.7925 k = 0.5492-0.0499-1.0487 ( 2436 PWs) bands (ev): -16.7379 -16.7379 -7.8943 -7.8943 -7.7701 -7.7701 -2.4868 -2.4868 -2.1515 -2.1515 -2.0650 -2.0650 -1.0116 -1.0116 -0.6278 -0.6278 -0.3781 -0.3781 -0.1497 -0.1497 0.1802 0.1802 3.4887 3.4887 5.5486 5.5486 6.4155 6.4155 6.7606 6.7606 7.6083 7.6083 8.0080 8.0080 11.5160 11.5160 13.9424 13.9424 14.5364 14.5364 16.8264 16.8264 k = 0.5437-0.0294-1.0487 ( 2436 PWs) bands (ev): -16.7393 -16.7393 -7.8974 -7.8974 -7.7691 -7.7691 -2.4903 -2.4903 -2.1485 -2.1485 -2.0725 -2.0725 -1.0004 -1.0004 -0.6102 -0.6102 -0.3921 -0.3921 -0.1518 -0.1518 0.1824 0.1824 3.4852 3.4852 5.5337 5.5337 6.4517 6.4517 6.7991 6.7991 7.5942 7.5942 7.9955 7.9955 11.4903 11.4903 13.8817 13.8817 14.5034 14.5034 16.8566 16.8566 k = 0.5383-0.0090-1.0487 ( 2436 PWs) bands (ev): -16.7404 -16.7404 -7.9002 -7.9002 -7.7682 -7.7682 -2.4934 -2.4934 -2.1461 -2.1461 -2.0789 -2.0789 -0.9905 -0.9905 -0.5928 -0.5928 -0.4058 -0.4058 -0.1535 -0.1535 0.1842 0.1842 3.4818 3.4818 5.5204 5.5204 6.4859 6.4859 6.8351 6.8351 7.5802 7.5802 7.9830 7.9830 11.4665 11.4665 13.8277 13.8277 14.4739 14.4739 16.8831 16.8831 k = 0.5328 0.0114-1.0487 ( 2440 PWs) bands (ev): -16.7415 -16.7415 -7.9027 -7.9027 -7.7674 -7.7674 -2.4961 -2.4961 -2.1445 -2.1445 -2.0842 -2.0842 -0.9818 -0.9818 -0.5761 -0.5761 -0.4191 -0.4191 -0.1549 -0.1549 0.1857 0.1857 3.4787 3.4787 5.5087 5.5087 6.5175 6.5175 6.8682 6.8682 7.5668 7.5668 7.9706 7.9706 11.4452 11.4452 13.7804 13.7804 14.4478 14.4478 16.9059 16.9059 k = 0.5273 0.0318-1.0487 ( 2440 PWs) bands (ev): -16.7424 -16.7424 -7.9048 -7.9048 -7.7667 -7.7667 -2.4984 -2.4984 -2.1434 -2.1434 -2.0883 -2.0883 -0.9744 -0.9744 -0.5601 -0.5601 -0.4319 -0.4319 -0.1562 -0.1562 0.1868 0.1868 3.4759 3.4759 5.4987 5.4987 6.5457 6.5457 6.8977 6.8977 7.5544 7.5544 7.9590 7.9590 11.4265 11.4265 13.7402 13.7402 14.4255 14.4255 16.9251 16.9251 k = 0.5219 0.0522-1.0487 ( 2442 PWs) bands (ev): -16.7432 -16.7432 -7.9065 -7.9065 -7.7661 -7.7661 -2.5002 -2.5002 -2.1429 -2.1429 -2.0914 -2.0914 -0.9683 -0.9683 -0.5450 -0.5450 -0.4443 -0.4443 -0.1571 -0.1571 0.1877 0.1877 3.4735 3.4735 5.4905 5.4905 6.5700 6.5700 6.9229 6.9229 7.5433 7.5433 7.9486 7.9486 11.4108 11.4108 13.7071 13.7071 14.4071 14.4071 16.9406 16.9406 k = 0.5164 0.0726-1.0487 ( 2444 PWs) bands (ev): -16.7438 -16.7438 -7.9079 -7.9079 -7.7657 -7.7657 -2.5016 -2.5016 -2.1428 -2.1428 -2.0936 -2.0936 -0.9636 -0.9636 -0.5308 -0.5308 -0.4563 -0.4563 -0.1579 -0.1579 0.1884 0.1884 3.4716 3.4716 5.4840 5.4840 6.5898 6.5898 6.9433 6.9433 7.5340 7.5340 7.9398 7.9398 11.3983 11.3983 13.6812 13.6812 14.3926 14.3926 16.9526 16.9526 k = 0.5109 0.0930-1.0487 ( 2448 PWs) bands (ev): -16.7442 -16.7442 -7.9089 -7.9089 -7.7654 -7.7654 -2.5026 -2.5026 -2.1429 -2.1429 -2.0950 -2.0950 -0.9601 -0.9601 -0.5175 -0.5175 -0.4680 -0.4680 -0.1585 -0.1585 0.1888 0.1888 3.4701 3.4701 5.4794 5.4794 6.6043 6.6043 6.9584 6.9584 7.5270 7.5270 7.9332 7.9332 11.3892 11.3892 13.6626 13.6626 14.3822 14.3822 16.9612 16.9612 k = 0.5055 0.1135-1.0487 ( 2450 PWs) bands (ev): -16.7445 -16.7445 -7.9095 -7.9095 -7.7652 -7.7652 -2.5032 -2.5032 -2.1430 -2.1430 -2.0958 -2.0958 -0.9581 -0.9581 -0.5053 -0.5053 -0.4792 -0.4792 -0.1588 -0.1588 0.1891 0.1891 3.4693 3.4693 5.4766 5.4766 6.6132 6.6132 6.9676 6.9676 7.5226 7.5226 7.9291 7.9291 11.3837 11.3837 13.6515 13.6515 14.3759 14.3759 16.9663 16.9663 k = 0.5000 0.1339-1.0487 ( 2452 PWs) bands (ev): -16.7445 -16.7445 -7.9097 -7.9097 -7.7651 -7.7651 -2.5034 -2.5034 -2.1431 -2.1431 -2.0960 -2.0960 -0.9574 -0.9574 -0.4971 -0.4971 -0.4871 -0.4871 -0.1589 -0.1589 0.1892 0.1892 3.4690 3.4690 5.4757 5.4757 6.6163 6.6163 6.9707 6.9707 7.5211 7.5211 7.9277 7.9277 11.3819 11.3819 13.6478 13.6478 14.3738 14.3738 16.9680 16.9680 k = 0.5000 0.1339-1.0487 ( 2452 PWs) bands (ev): -16.7445 -16.7445 -7.9097 -7.9097 -7.7651 -7.7651 -2.5034 -2.5034 -2.1431 -2.1431 -2.0960 -2.0960 -0.9574 -0.9574 -0.4971 -0.4971 -0.4871 -0.4871 -0.1589 -0.1589 0.1892 0.1892 3.4690 3.4690 5.4757 5.4757 6.6163 6.6163 6.9707 6.9707 7.5211 7.5211 7.9277 7.9277 11.3819 11.3819 13.6478 13.6478 14.3738 14.3738 16.9680 16.9680 k = 0.5176 0.1386-1.0397 ( 2450 PWs) bands (ev): -16.7446 -16.7446 -7.9099 -7.9099 -7.7649 -7.7649 -2.5035 -2.5035 -2.1495 -2.1495 -2.0895 -2.0895 -0.9579 -0.9579 -0.4978 -0.4978 -0.4864 -0.4864 -0.1581 -0.1581 0.1894 0.1894 3.4700 3.4700 5.4728 5.4728 6.6155 6.6155 6.9689 6.9689 7.5245 7.5245 7.9284 7.9284 11.3827 11.3827 13.6460 13.6460 14.3739 14.3739 16.9680 16.9680 k = 0.5352 0.1433-1.0307 ( 2448 PWs) bands (ev): -16.7446 -16.7446 -7.9107 -7.9107 -7.7641 -7.7641 -2.5038 -2.5038 -2.1635 -2.1635 -2.0755 -2.0755 -0.9593 -0.9593 -0.4997 -0.4997 -0.4847 -0.4847 -0.1556 -0.1556 0.1903 0.1903 3.4730 3.4730 5.4642 5.4642 6.6133 6.6133 6.9636 6.9636 7.5344 7.5344 7.9306 7.9306 11.3852 11.3852 13.6408 13.6408 14.3740 14.3740 16.9681 16.9681 k = 0.5528 0.1480-1.0217 ( 2448 PWs) bands (ev): -16.7447 -16.7447 -7.9120 -7.9120 -7.7629 -7.7629 -2.5044 -2.5044 -2.1797 -2.1797 -2.0592 -2.0592 -0.9617 -0.9617 -0.5023 -0.5023 -0.4824 -0.4824 -0.1516 -0.1516 0.1916 0.1916 3.4781 3.4781 5.4502 5.4502 6.6097 6.6097 6.9550 6.9550 7.5505 7.5505 7.9342 7.9342 11.3894 11.3894 13.6323 13.6323 14.3742 14.3742 16.9683 16.9683 k = 0.5704 0.1527-1.0127 ( 2446 PWs) bands (ev): -16.7449 -16.7449 -7.9137 -7.9137 -7.7612 -7.7612 -2.5051 -2.5051 -2.1965 -2.1965 -2.0422 -2.0422 -0.9649 -0.9649 -0.5054 -0.5054 -0.4795 -0.4795 -0.1462 -0.1462 0.1935 0.1935 3.4850 3.4850 5.4312 5.4312 6.6047 6.6047 6.9435 6.9435 7.5719 7.5719 7.9392 7.9392 11.3950 11.3950 13.6207 13.6207 14.3744 14.3744 16.9688 16.9688 k = 0.5881 0.1575-1.0037 ( 2446 PWs) bands (ev): -16.7451 -16.7451 -7.9157 -7.9157 -7.7592 -7.7592 -2.5060 -2.5060 -2.2134 -2.2134 -2.0252 -2.0252 -0.9689 -0.9689 -0.5090 -0.5090 -0.4761 -0.4761 -0.1395 -0.1395 0.1959 0.1959 3.4939 3.4939 5.4076 5.4076 6.5986 6.5986 6.9296 6.9296 7.5979 7.5979 7.9455 7.9455 11.4020 11.4020 13.6062 13.6062 14.3746 14.3746 16.9697 16.9697 k = 0.6057 0.1622-0.9947 ( 2442 PWs) bands (ev): -16.7453 -16.7453 -7.9182 -7.9182 -7.7569 -7.7569 -2.5071 -2.5071 -2.2299 -2.2299 -2.0084 -2.0084 -0.9736 -0.9736 -0.5129 -0.5129 -0.4723 -0.4723 -0.1319 -0.1319 0.1987 0.1987 3.5046 3.5046 5.3801 5.3801 6.5913 6.5913 6.9137 6.9137 7.6277 7.6277 7.9530 7.9530 11.4103 11.4103 13.5891 13.5891 14.3747 14.3747 16.9713 16.9713 k = 0.6233 0.1669-0.9857 ( 2442 PWs) bands (ev): -16.7456 -16.7456 -7.9209 -7.9209 -7.7543 -7.7543 -2.5084 -2.5084 -2.2459 -2.2459 -1.9920 -1.9920 -0.9788 -0.9788 -0.5170 -0.5170 -0.4682 -0.4682 -0.1234 -0.1234 0.2020 0.2020 3.5169 3.5169 5.3495 5.3495 6.5831 6.5831 6.8961 6.8961 7.6603 7.6603 7.9615 7.9615 11.4195 11.4195 13.5698 13.5698 14.3748 14.3748 16.9735 16.9735 k = 0.6409 0.1716-0.9767 ( 2439 PWs) bands (ev): -16.7459 -16.7459 -7.9238 -7.9238 -7.7515 -7.7515 -2.5099 -2.5099 -2.2613 -2.2613 -1.9761 -1.9761 -0.9845 -0.9845 -0.5212 -0.5212 -0.4637 -0.4637 -0.1144 -0.1144 0.2055 0.2055 3.5308 3.5308 5.3164 5.3164 6.5741 6.5741 6.8772 6.8772 7.6951 7.6951 7.9710 7.9710 11.4294 11.4294 13.5487 13.5487 14.3749 14.3749 16.9765 16.9765 k = 0.6585 0.1763-0.9678 ( 2433 PWs) bands (ev): -16.7463 -16.7463 -7.9269 -7.9269 -7.7486 -7.7486 -2.5115 -2.5115 -2.2759 -2.2759 -1.9608 -1.9608 -0.9906 -0.9906 -0.5255 -0.5255 -0.4590 -0.4590 -0.1050 -0.1050 0.2093 0.2093 3.5460 3.5460 5.2816 5.2816 6.5645 6.5645 6.8572 6.8572 7.7312 7.7312 7.9813 7.9813 11.4400 11.4400 13.5260 13.5260 14.3750 14.3750 16.9802 16.9802 k = 0.6585 0.1763-0.9678 ( 2433 PWs) bands (ev): -16.7463 -16.7463 -7.9269 -7.9269 -7.7486 -7.7486 -2.5115 -2.5115 -2.2759 -2.2759 -1.9608 -1.9608 -0.9906 -0.9906 -0.5255 -0.5255 -0.4590 -0.4590 -0.1050 -0.1050 0.2093 0.2093 3.5460 3.5460 5.2816 5.2816 6.5645 6.5645 6.8572 6.8572 7.7312 7.7312 7.9813 7.9813 11.4400 11.4400 13.5260 13.5260 14.3750 14.3750 16.9802 16.9802 k = 0.6553 0.1755-0.9468 ( 2439 PWs) bands (ev): -16.7479 -16.7479 -7.9248 -7.9248 -7.7534 -7.7534 -2.5108 -2.5108 -2.2793 -2.2793 -1.9532 -1.9532 -0.9878 -0.9878 -0.5261 -0.5261 -0.4613 -0.4613 -0.1026 -0.1026 0.2083 0.2083 3.5498 3.5498 5.2681 5.2681 6.5726 6.5726 6.8713 6.8713 7.7418 7.7418 7.9776 7.9776 11.4294 11.4294 13.5406 13.5406 14.3874 14.3874 16.9615 16.9615 k = 0.6522 0.1746-0.9258 ( 2435 PWs) bands (ev): -16.7501 -16.7501 -7.9229 -7.9229 -7.7588 -7.7588 -2.5101 -2.5101 -2.2817 -2.2817 -1.9452 -1.9452 -0.9845 -0.9845 -0.5266 -0.5266 -0.4631 -0.4631 -0.1006 -0.1006 0.2062 0.2062 3.5529 3.5529 5.2593 5.2593 6.5823 6.5823 6.8867 6.8867 7.7519 7.7519 7.9740 7.9740 11.4173 11.4173 13.5580 13.5580 14.4031 14.4031 16.9348 16.9348 k = 0.6490 0.1738-0.9048 ( 2430 PWs) bands (ev): -16.7528 -16.7528 -7.9213 -7.9213 -7.7646 -7.7646 -2.5094 -2.5094 -2.2831 -2.2831 -1.9366 -1.9366 -0.9809 -0.9809 -0.5272 -0.5272 -0.4643 -0.4643 -0.0990 -0.0990 0.2032 0.2032 3.5551 3.5551 5.2555 5.2555 6.5936 6.5936 6.9034 6.9034 7.7613 7.7613 7.9705 7.9705 11.4034 11.4034 13.5781 13.5781 14.4223 14.4223 16.9006 16.9006 k = 0.6458 0.1729-0.8839 ( 2434 PWs) bands (ev): -16.7560 -16.7560 -7.9201 -7.9201 -7.7708 -7.7708 -2.5086 -2.5086 -2.2837 -2.2837 -1.9273 -1.9273 -0.9769 -0.9769 -0.5278 -0.5278 -0.4648 -0.4648 -0.0979 -0.0979 0.1992 0.1992 3.5564 3.5564 5.2568 5.2568 6.6064 6.6064 6.9212 6.9212 7.7698 7.7698 7.9669 7.9669 11.3877 11.3877 13.6009 13.6009 14.4449 14.4449 16.8599 16.8599 k = 0.6427 0.1721-0.8629 ( 2441 PWs) bands (ev): -16.7596 -16.7596 -7.9196 -7.9196 -7.7770 -7.7770 -2.5079 -2.5079 -2.2836 -2.2836 -1.9172 -1.9172 -0.9726 -0.9726 -0.5284 -0.5284 -0.4647 -0.4647 -0.0974 -0.0974 0.1942 0.1942 3.5569 3.5569 5.2636 5.2636 6.6207 6.6207 6.9401 6.9401 7.7775 7.7775 7.9634 7.9634 11.3700 11.3700 13.6263 13.6263 14.4707 14.4707 16.8136 16.8136 k = 0.6395 0.1712-0.8419 ( 2438 PWs) bands (ev): -16.7638 -16.7638 -7.9198 -7.9198 -7.7832 -7.7832 -2.5073 -2.5073 -2.2830 -2.2830 -1.9062 -1.9062 -0.9679 -0.9679 -0.5289 -0.5289 -0.4640 -0.4640 -0.0974 -0.0974 0.1882 0.1882 3.5564 3.5564 5.2759 5.2759 6.6363 6.6363 6.9600 6.9600 7.7840 7.7840 7.9600 7.9600 11.3504 11.3504 13.6543 13.6543 14.4997 14.4997 16.7627 16.7627 k = 0.6363 0.1704-0.8209 ( 2426 PWs) bands (ev): -16.7684 -16.7684 -7.9211 -7.9211 -7.7889 -7.7889 -2.5066 -2.5066 -2.2822 -2.2822 -1.8940 -1.8940 -0.9629 -0.9629 -0.5293 -0.5293 -0.4626 -0.4626 -0.0980 -0.0980 0.1811 0.1811 3.5552 3.5552 5.2938 5.2938 6.6534 6.6534 6.9807 6.9807 7.7895 7.7895 7.9566 7.9566 11.3287 11.3287 13.6846 13.6846 14.5315 14.5315 16.7084 16.7084 k = 0.6331 0.1695-0.8000 ( 2428 PWs) bands (ev): -16.7735 -16.7735 -7.9239 -7.9239 -7.7939 -7.7939 -2.5060 -2.5060 -2.2812 -2.2812 -1.8806 -1.8806 -0.9575 -0.9575 -0.5296 -0.5296 -0.4607 -0.4607 -0.0991 -0.0991 0.1732 0.1732 3.5533 3.5533 5.3172 5.3172 6.6716 6.6716 7.0022 7.0022 7.7937 7.7937 7.9534 7.9534 11.3049 11.3049 13.7171 13.7171 14.5659 14.5659 16.6517 16.6517 k = 0.6300 0.1687-0.7790 ( 2422 PWs) bands (ev): -16.7789 -16.7789 -7.9282 -7.9282 -7.7978 -7.7978 -2.5055 -2.5055 -2.2803 -2.2803 -1.8658 -1.8658 -0.9519 -0.9519 -0.5297 -0.5297 -0.4582 -0.4582 -0.1007 -0.1007 0.1643 0.1643 3.5508 3.5508 5.3461 5.3461 6.6910 6.6910 7.0243 7.0243 7.7966 7.7966 7.9503 7.9503 11.2791 11.2791 13.7517 13.7517 14.6021 14.6021 16.5937 16.5937 k = 0.6268 0.1678-0.7580 ( 2420 PWs) bands (ev): -16.7848 -16.7848 -7.9345 -7.9345 -7.8004 -7.8004 -2.5050 -2.5050 -2.2797 -2.2797 -1.8494 -1.8494 -0.9460 -0.9460 -0.5295 -0.5295 -0.4552 -0.4552 -0.1029 -0.1029 0.1545 0.1545 3.5480 3.5480 5.3803 5.3803 6.7115 6.7115 7.0469 7.0469 7.7982 7.7982 7.9473 7.9473 11.2511 11.2511 13.7882 13.7882 14.6395 14.6395 16.5356 16.5356 k = 0.6236 0.1670-0.7370 ( 2418 PWs) bands (ev): -16.7911 -16.7911 -7.9427 -7.9427 -7.8015 -7.8015 -2.5046 -2.5046 -2.2794 -2.2794 -1.8315 -1.8315 -0.9399 -0.9399 -0.5290 -0.5290 -0.4517 -0.4517 -0.1056 -0.1056 0.1439 0.1439 3.5451 3.5451 5.4198 5.4198 6.7330 6.7330 7.0698 7.0698 7.7984 7.7984 7.9444 7.9444 11.2211 11.2211 13.8264 13.8264 14.6772 14.6772 16.4786 16.4786 k = 0.6205 0.1661-0.7161 ( 2418 PWs) bands (ev): -16.7977 -16.7977 -7.9529 -7.9529 -7.8013 -7.8013 -2.5043 -2.5043 -2.2798 -2.2798 -1.8118 -1.8118 -0.9336 -0.9336 -0.5281 -0.5281 -0.4479 -0.4479 -0.1088 -0.1088 0.1325 0.1325 3.5422 3.5422 5.4641 5.4641 6.7553 6.7553 7.0929 7.0929 7.7973 7.7973 7.9418 7.9418 11.1892 11.1892 13.8660 13.8660 14.7140 14.7140 16.4239 16.4239 k = 0.6173 0.1653-0.6951 ( 2421 PWs) bands (ev): -16.8046 -16.8046 -7.9648 -7.9648 -7.7997 -7.7997 -2.5040 -2.5040 -2.2809 -2.2809 -1.7904 -1.7904 -0.9270 -0.9270 -0.5268 -0.5268 -0.4437 -0.4437 -0.1125 -0.1125 0.1205 0.1205 3.5396 3.5396 5.5132 5.5132 6.7783 6.7783 7.1161 7.1161 7.7948 7.7948 7.9395 7.9395 11.1554 11.1554 13.9066 13.9066 14.7484 14.7484 16.3730 16.3730 k = 0.6141 0.1644-0.6741 ( 2418 PWs) bands (ev): -16.8118 -16.8118 -7.9782 -7.9782 -7.7969 -7.7969 -2.5039 -2.5039 -2.2827 -2.2827 -1.7674 -1.7674 -0.9202 -0.9202 -0.5250 -0.5250 -0.4392 -0.4392 -0.1166 -0.1166 0.1080 0.1080 3.5375 3.5375 5.5668 5.5668 6.8020 6.8020 7.1390 7.1390 7.7910 7.7910 7.9374 7.9374 11.1199 11.1199 13.9479 13.9479 14.7789 14.7789 16.3272 16.3272 k = 0.6110 0.1636-0.6531 ( 2416 PWs) bands (ev): -16.8193 -16.8193 -7.9929 -7.9929 -7.7931 -7.7931 -2.5039 -2.5039 -2.2854 -2.2854 -1.7427 -1.7427 -0.9132 -0.9132 -0.5227 -0.5227 -0.4346 -0.4346 -0.1211 -0.1211 0.0950 0.0950 3.5361 3.5361 5.6245 5.6245 6.8261 6.8261 7.1617 7.1617 7.7858 7.7858 7.9357 7.9357 11.0828 11.0828 13.9893 13.9893 14.8038 14.8038 16.2879 16.2879 k = 0.6078 0.1627-0.6322 ( 2418 PWs) bands (ev): -16.8271 -16.8271 -8.0088 -8.0088 -7.7886 -7.7886 -2.5040 -2.5040 -2.2889 -2.2889 -1.7166 -1.7166 -0.9060 -0.9060 -0.5198 -0.5198 -0.4298 -0.4298 -0.1259 -0.1259 0.0817 0.0817 3.5355 3.5355 5.6860 5.6860 6.8506 6.8506 7.1839 7.1839 7.7794 7.7794 7.9343 7.9343 11.0444 11.0444 14.0302 14.0302 14.8216 14.8216 16.2559 16.2559 k = 0.6046 0.1619-0.6112 ( 2416 PWs) bands (ev): -16.8350 -16.8350 -8.0256 -8.0256 -7.7833 -7.7833 -2.5042 -2.5042 -2.2933 -2.2933 -1.6891 -1.6891 -0.8986 -0.8986 -0.5163 -0.5163 -0.4250 -0.4250 -0.1311 -0.1311 0.0682 0.0682 3.5360 3.5360 5.7511 5.7511 6.8754 6.8754 7.2055 7.2055 7.7717 7.7717 7.9335 7.9335 11.0048 11.0048 14.0698 14.0698 14.8310 14.8310 16.2314 16.2314 k = 0.6014 0.1610-0.5902 ( 2412 PWs) bands (ev): -16.8431 -16.8431 -8.0431 -8.0431 -7.7775 -7.7775 -2.5045 -2.5045 -2.2986 -2.2986 -1.6605 -1.6605 -0.8909 -0.8909 -0.5121 -0.5121 -0.4203 -0.4203 -0.1364 -0.1364 0.0547 0.0547 3.5376 3.5376 5.8194 5.8194 6.9002 6.9002 7.2262 7.2262 7.7629 7.7629 7.9331 7.9331 10.9642 10.9642 14.1067 14.1067 14.8316 14.8316 16.2137 16.2137 k = 0.5983 0.1602-0.5692 ( 2412 PWs) bands (ev): -16.8514 -16.8514 -8.0612 -8.0612 -7.7713 -7.7713 -2.5050 -2.5050 -2.3046 -2.3046 -1.6310 -1.6310 -0.8829 -0.8829 -0.5073 -0.5073 -0.4157 -0.4157 -0.1419 -0.1419 0.0413 0.0413 3.5406 3.5406 5.8906 5.8906 6.9250 6.9250 7.2458 7.2458 7.7530 7.7530 7.9333 7.9333 10.9230 10.9230 14.1396 14.1396 14.8239 14.8239 16.2005 16.2005 k = 0.5951 0.1593-0.5483 ( 2420 PWs) bands (ev): -16.8598 -16.8598 -8.0798 -8.0798 -7.7646 -7.7646 -2.5056 -2.5056 -2.3114 -2.3114 -1.6009 -1.6009 -0.8746 -0.8746 -0.5019 -0.5019 -0.4114 -0.4114 -0.1474 -0.1474 0.0281 0.0281 3.5450 3.5450 5.9644 5.9644 6.9496 6.9496 7.2642 7.2642 7.7422 7.7422 7.9341 7.9341 10.8812 10.8812 14.1662 14.1662 14.8095 14.8095 16.1883 16.1883 k = 0.5919 0.1585-0.5273 ( 2417 PWs) bands (ev): -16.8683 -16.8683 -8.0988 -8.0988 -7.7577 -7.7577 -2.5064 -2.5064 -2.3189 -2.3189 -1.5704 -1.5704 -0.8658 -0.8658 -0.4959 -0.4959 -0.4074 -0.4074 -0.1528 -0.1528 0.0153 0.0153 3.5508 3.5508 6.0403 6.0403 6.9739 6.9739 7.2812 7.2812 7.7306 7.7306 7.9357 7.9357 10.8392 10.8392 14.1843 14.1843 14.7910 14.7910 16.1734 16.1734 k = 0.5888 0.1576-0.5063 ( 2421 PWs) bands (ev): -16.8769 -16.8769 -8.1180 -8.1180 -7.7505 -7.7505 -2.5072 -2.5072 -2.3270 -2.3270 -1.5398 -1.5398 -0.8565 -0.8565 -0.4894 -0.4894 -0.4037 -0.4037 -0.1579 -0.1579 0.0030 0.0030 3.5581 3.5581 6.1181 6.1181 6.9977 6.9977 7.2965 7.2965 7.7184 7.7184 7.9380 7.9380 10.7972 10.7972 14.1908 14.1908 14.7715 14.7715 16.1527 16.1527 k = 0.5856 0.1568-0.4853 ( 2421 PWs) bands (ev): -16.8854 -16.8854 -8.1373 -8.1373 -7.7430 -7.7430 -2.5083 -2.5083 -2.3357 -2.3357 -1.5095 -1.5095 -0.8466 -0.8466 -0.4825 -0.4825 -0.4004 -0.4004 -0.1628 -0.1628 -0.0087 -0.0087 3.5670 3.5670 6.1973 6.1973 7.0210 7.0210 7.3100 7.3100 7.7058 7.7058 7.9411 7.9411 10.7554 10.7554 14.1832 14.1832 14.7535 14.7535 16.1256 16.1256 k = 0.5824 0.1559-0.4644 ( 2421 PWs) bands (ev): -16.8940 -16.8940 -8.1568 -8.1568 -7.7355 -7.7355 -2.5094 -2.5094 -2.3449 -2.3449 -1.4799 -1.4799 -0.8359 -0.8359 -0.4756 -0.4756 -0.3973 -0.3973 -0.1671 -0.1671 -0.0196 -0.0196 3.5774 3.5774 6.2776 6.2776 7.0435 7.0435 7.3214 7.3214 7.6931 7.6931 7.9450 7.9450 10.7142 10.7142 14.1602 14.1602 14.7384 14.7384 16.0942 16.0942 k = 0.5793 0.1551-0.4434 ( 2421 PWs) bands (ev): -16.9026 -16.9026 -8.1761 -8.1761 -7.7278 -7.7278 -2.5106 -2.5106 -2.3546 -2.3546 -1.4512 -1.4512 -0.8245 -0.8245 -0.4688 -0.4688 -0.3941 -0.3941 -0.1709 -0.1709 -0.0297 -0.0297 3.5893 3.5893 6.3585 6.3585 7.0653 7.0653 7.3305 7.3305 7.6805 7.6805 7.9498 7.9498 10.6738 10.6738 14.1221 14.1221 14.7254 14.7254 16.0626 16.0626 k = 0.5761 0.1542-0.4224 ( 2423 PWs) bands (ev): -16.9110 -16.9110 -8.1954 -8.1954 -7.7201 -7.7201 -2.5120 -2.5120 -2.3645 -2.3645 -1.4239 -1.4239 -0.8122 -0.8122 -0.4628 -0.4628 -0.3905 -0.3905 -0.1739 -0.1739 -0.0388 -0.0388 3.6027 3.6027 6.4395 6.4395 7.0862 7.0862 7.3373 7.3373 7.6685 7.6685 7.9555 7.9555 10.6344 10.6344 14.0708 14.0708 14.7121 14.7121 16.0353 16.0353 k = 0.5729 0.1534-0.4014 ( 2425 PWs) bands (ev): -16.9194 -16.9194 -8.2145 -8.2145 -7.7123 -7.7123 -2.5135 -2.5135 -2.3748 -2.3748 -1.3980 -1.3980 -0.7991 -0.7991 -0.4581 -0.4581 -0.3859 -0.3859 -0.1762 -0.1762 -0.0470 -0.0470 3.6175 3.6175 6.5201 6.5201 7.1062 7.1062 7.3414 7.3414 7.6574 7.6574 7.9621 7.9621 10.5963 10.5963 14.0089 14.0089 14.6952 14.6952 16.0165 16.0165 k = 0.5697 0.1525-0.3805 ( 2429 PWs) bands (ev): -16.9277 -16.9277 -8.2333 -8.2333 -7.7046 -7.7046 -2.5151 -2.5151 -2.3852 -2.3852 -1.3741 -1.3741 -0.7850 -0.7850 -0.4554 -0.4554 -0.3796 -0.3796 -0.1776 -0.1776 -0.0541 -0.0541 3.6336 3.6336 6.5995 6.5995 7.1252 7.1252 7.3429 7.3429 7.6476 7.6476 7.9695 7.9695 10.5596 10.5596 13.9389 13.9389 14.6722 14.6722 16.0093 16.0093 k = 0.5666 0.1517-0.3595 ( 2429 PWs) bands (ev): -16.9358 -16.9358 -8.2518 -8.2518 -7.6969 -7.6969 -2.5167 -2.5167 -2.3957 -2.3957 -1.3521 -1.3521 -0.7700 -0.7700 -0.4550 -0.4550 -0.3714 -0.3714 -0.1782 -0.1782 -0.0601 -0.0601 3.6510 3.6510 6.6770 6.6770 7.1431 7.1431 7.3418 7.3418 7.6398 7.6398 7.9779 7.9779 10.5245 10.5245 13.8629 13.8629 14.6415 14.6415 16.0153 16.0153 k = 0.5634 0.1508-0.3385 ( 2431 PWs) bands (ev): -16.9437 -16.9437 -8.2698 -8.2698 -7.6893 -7.6893 -2.5185 -2.5185 -2.4063 -2.4063 -1.3323 -1.3323 -0.7544 -0.7544 -0.4567 -0.4567 -0.3614 -0.3614 -0.1779 -0.1779 -0.0650 -0.0650 3.6696 3.6696 6.7516 6.7516 7.1601 7.1601 7.3383 7.3383 7.6344 7.6344 7.9869 7.9869 10.4912 10.4912 13.7829 13.7829 14.6027 14.6027 16.0351 16.0351 k = 0.5602 0.1500-0.3175 ( 2429 PWs) bands (ev): -16.9515 -16.9515 -8.2874 -8.2874 -7.6818 -7.6818 -2.5203 -2.5203 -2.4168 -2.4168 -1.3147 -1.3147 -0.7381 -0.7381 -0.4602 -0.4602 -0.3500 -0.3500 -0.1767 -0.1767 -0.0687 -0.0687 3.6891 3.6891 6.8222 6.8222 7.1759 7.1759 7.3327 7.3327 7.6321 7.6321 7.9968 7.9968 10.4598 10.4598 13.7001 13.7001 14.5565 14.5565 16.0679 16.0679 k = 0.5571 0.1492-0.2966 ( 2436 PWs) bands (ev): -16.9590 -16.9590 -8.3045 -8.3045 -7.6745 -7.6745 -2.5223 -2.5223 -2.4272 -2.4272 -1.2994 -1.2994 -0.7215 -0.7215 -0.4651 -0.4651 -0.3376 -0.3376 -0.1746 -0.1746 -0.0714 -0.0714 3.7095 3.7095 6.8873 6.8873 7.1905 7.1905 7.3257 7.3257 7.6337 7.6337 8.0072 8.0072 10.4305 10.4305 13.6158 13.6158 14.5044 14.5044 16.1124 16.1124 k = 0.5539 0.1483-0.2756 ( 2436 PWs) bands (ev): -16.9662 -16.9662 -8.3209 -8.3209 -7.6673 -7.6673 -2.5243 -2.5243 -2.4375 -2.4375 -1.2861 -1.2861 -0.7048 -0.7048 -0.4708 -0.4708 -0.3249 -0.3249 -0.1712 -0.1712 -0.0729 -0.0729 3.7306 3.7306 6.9454 6.9454 7.2034 7.2034 7.3184 7.3184 7.6402 7.6402 8.0182 8.0182 10.4033 10.4033 13.5309 13.5309 14.4479 14.4479 16.1668 16.1668 k = 0.5507 0.1475-0.2546 ( 2431 PWs) bands (ev): -16.9732 -16.9732 -8.3368 -8.3368 -7.6604 -7.6604 -2.5263 -2.5263 -2.4474 -2.4474 -1.2748 -1.2748 -0.6882 -0.6882 -0.4773 -0.4773 -0.3124 -0.3124 -0.1665 -0.1665 -0.0734 -0.0734 3.7523 3.7523 6.9948 6.9948 7.2137 7.2137 7.3121 7.3121 7.6525 7.6525 8.0296 8.0296 10.3782 10.3782 13.4461 13.4461 14.3887 14.3887 16.2295 16.2295 k = 0.5476 0.1466-0.2336 ( 2423 PWs) bands (ev): -16.9798 -16.9798 -8.3519 -8.3519 -7.6537 -7.6537 -2.5284 -2.5284 -2.4570 -2.4570 -1.2654 -1.2654 -0.6719 -0.6719 -0.4840 -0.4840 -0.3007 -0.3007 -0.1603 -0.1603 -0.0730 -0.0730 3.7742 3.7742 7.0343 7.0343 7.2199 7.2199 7.3087 7.3087 7.6716 7.6716 8.0413 8.0413 10.3554 10.3554 13.3623 13.3623 14.3282 14.3282 16.2988 16.2988 k = 0.5444 0.1458-0.2127 ( 2425 PWs) bands (ev): -16.9862 -16.9862 -8.3663 -8.3663 -7.6473 -7.6473 -2.5306 -2.5306 -2.4662 -2.4662 -1.2576 -1.2576 -0.6563 -0.6563 -0.4909 -0.4909 -0.2903 -0.2903 -0.1523 -0.1523 -0.0716 -0.0716 3.7963 3.7963 7.0633 7.0633 7.2216 7.2216 7.3088 7.3088 7.6979 7.6979 8.0531 8.0531 10.3347 10.3347 13.2800 13.2800 14.2678 14.2678 16.3731 16.3731 k = 0.5412 0.1449-0.1917 ( 2429 PWs) bands (ev): -16.9922 -16.9922 -8.3799 -8.3799 -7.6412 -7.6412 -2.5329 -2.5329 -2.4748 -2.4748 -1.2514 -1.2514 -0.6415 -0.6415 -0.4977 -0.4977 -0.2816 -0.2816 -0.1426 -0.1426 -0.0692 -0.0692 3.8183 3.8183 7.0819 7.0819 7.2199 7.2199 7.3116 7.3116 7.7311 7.7311 8.0649 8.0649 10.3161 10.3161 13.1998 13.1998 14.2084 14.2084 16.4510 16.4511 k = 0.5380 0.1441-0.1707 ( 2425 PWs) bands (ev): -16.9978 -16.9978 -8.3926 -8.3926 -7.6354 -7.6354 -2.5353 -2.5353 -2.4829 -2.4829 -1.2463 -1.2463 -0.6276 -0.6276 -0.5043 -0.5043 -0.2746 -0.2746 -0.1316 -0.1316 -0.0659 -0.0659 3.8400 3.8400 7.0909 7.0909 7.2171 7.2171 7.3149 7.3149 7.7702 7.7702 8.0767 8.0767 10.2995 10.2995 13.1225 13.1225 14.1511 14.1511 16.5314 16.5314 k = 0.5349 0.1432-0.1497 ( 2425 PWs) bands (ev): -17.0030 -17.0030 -8.4045 -8.4045 -7.6300 -7.6300 -2.5377 -2.5377 -2.4903 -2.4903 -1.2424 -1.2424 -0.6148 -0.6148 -0.5106 -0.5106 -0.2692 -0.2692 -0.1200 -0.1200 -0.0615 -0.0615 3.8612 3.8612 7.0918 7.0918 7.2152 7.2152 7.3173 7.3173 7.8133 7.8133 8.0882 8.0882 10.2850 10.2850 13.0484 13.0484 14.0964 14.0964 16.6128 16.6128 k = 0.5317 0.1424-0.1288 ( 2420 PWs) bands (ev): -17.0079 -17.0079 -8.4154 -8.4154 -7.6250 -7.6250 -2.5402 -2.5402 -2.4970 -2.4970 -1.2394 -1.2394 -0.6031 -0.6031 -0.5164 -0.5164 -0.2653 -0.2653 -0.1086 -0.1086 -0.0557 -0.0557 3.8816 3.8816 7.0865 7.0865 7.2144 7.2144 7.3183 7.3183 7.8585 7.8585 8.0994 8.0994 10.2723 10.2723 12.9782 12.9782 14.0451 14.0451 16.6941 16.6941 k = 0.5285 0.1415-0.1078 ( 2424 PWs) bands (ev): -17.0123 -17.0123 -8.4255 -8.4255 -7.6203 -7.6203 -2.5429 -2.5429 -2.5029 -2.5029 -1.2371 -1.2371 -0.5927 -0.5927 -0.5217 -0.5217 -0.2625 -0.2625 -0.0984 -0.0984 -0.0483 -0.0483 3.9010 3.9010 7.0773 7.0773 7.2145 7.2145 7.3181 7.3181 7.9039 7.9039 8.1102 8.1102 10.2614 10.2614 12.9125 12.9125 13.9975 13.9975 16.7741 16.7741 k = 0.5254 0.1407-0.0868 ( 2419 PWs) bands (ev): -17.0163 -17.0163 -8.4345 -8.4345 -7.6162 -7.6162 -2.5456 -2.5456 -2.5079 -2.5079 -1.2355 -1.2355 -0.5836 -0.5836 -0.5265 -0.5265 -0.2605 -0.2605 -0.0900 -0.0900 -0.0392 -0.0392 3.9192 3.9192 7.0659 7.0659 7.2150 7.2150 7.3169 7.3169 7.9480 7.9480 8.1206 8.1206 10.2520 10.2520 12.8517 12.8517 13.9541 13.9541 16.8513 16.8513 k = 0.5222 0.1398-0.0658 ( 2423 PWs) bands (ev): -17.0199 -17.0199 -8.4425 -8.4425 -7.6124 -7.6124 -2.5483 -2.5483 -2.5122 -2.5122 -1.2343 -1.2343 -0.5758 -0.5758 -0.5305 -0.5305 -0.2592 -0.2592 -0.0834 -0.0834 -0.0291 -0.0291 3.9358 3.9358 7.0537 7.0537 7.2154 7.2154 7.3152 7.3152 7.9892 7.9892 8.1305 8.1305 10.2442 10.2442 12.7965 12.7965 13.9152 13.9152 16.9246 16.9246 k = 0.5190 0.1390-0.0449 ( 2421 PWs) bands (ev): -17.0230 -17.0230 -8.4496 -8.4496 -7.6091 -7.6091 -2.5509 -2.5509 -2.5158 -2.5158 -1.2335 -1.2335 -0.5694 -0.5694 -0.5336 -0.5336 -0.2582 -0.2582 -0.0785 -0.0785 -0.0186 -0.0186 3.9508 3.9508 7.0418 7.0418 7.2156 7.2156 7.3131 7.3131 8.0262 8.0262 8.1402 8.1402 10.2378 10.2378 12.7474 12.7474 13.8810 13.8810 16.9923 16.9923 k = 0.5159 0.1381-0.0239 ( 2419 PWs) bands (ev): -17.0256 -17.0256 -8.4555 -8.4555 -7.6063 -7.6063 -2.5533 -2.5533 -2.5186 -2.5186 -1.2330 -1.2330 -0.5646 -0.5646 -0.5358 -0.5358 -0.2576 -0.2576 -0.0747 -0.0747 -0.0086 -0.0086 3.9639 3.9639 7.0307 7.0307 7.2156 7.2156 7.3111 7.3111 8.0578 8.0578 8.1497 8.1497 10.2326 10.2326 12.7049 12.7049 13.8517 13.8517 17.0531 17.0531 k = 0.5127 0.1373-0.0029 ( 2420 PWs) bands (ev): -17.0278 -17.0278 -8.4604 -8.4604 -7.6040 -7.6040 -2.5555 -2.5555 -2.5208 -2.5208 -1.2327 -1.2327 -0.5613 -0.5613 -0.5370 -0.5370 -0.2573 -0.2573 -0.0719 -0.0719 0.0002 0.0002 3.9748 3.9748 7.0210 7.0210 7.2154 7.2154 7.3093 7.3093 8.0830 8.0830 8.1593 8.1593 10.2285 10.2285 12.6693 12.6693 13.8275 13.8275 17.1054 17.1054 k = 0.5095 0.1364 0.0181 ( 2420 PWs) bands (ev): -17.0295 -17.0295 -8.4643 -8.4643 -7.6022 -7.6022 -2.5573 -2.5573 -2.5224 -2.5224 -1.2325 -1.2325 -0.5594 -0.5594 -0.5372 -0.5372 -0.2570 -0.2570 -0.0698 -0.0698 0.0075 0.0075 3.9835 3.9835 7.0132 7.0132 7.2150 7.2150 7.3078 7.3078 8.1014 8.1014 8.1686 8.1686 10.2255 10.2255 12.6413 12.6413 13.8086 13.8086 17.1477 17.1477 k = 0.5063 0.1356 0.0390 ( 2418 PWs) bands (ev): -17.0307 -17.0307 -8.4670 -8.4670 -7.6009 -7.6009 -2.5586 -2.5586 -2.5235 -2.5235 -1.2324 -1.2324 -0.5586 -0.5586 -0.5370 -0.5370 -0.2569 -0.2569 -0.0684 -0.0684 0.0129 0.0129 3.9899 3.9899 7.0074 7.0074 7.2147 7.2147 7.3067 7.3067 8.1134 8.1134 8.1769 8.1769 10.2233 10.2233 12.6209 12.6209 13.7951 13.7951 17.1785 17.1785 k = 0.5032 0.1347 0.0600 ( 2416 PWs) bands (ev): -17.0315 -17.0315 -8.4687 -8.4687 -7.6001 -7.6001 -2.5594 -2.5594 -2.5242 -2.5242 -1.2324 -1.2324 -0.5583 -0.5583 -0.5366 -0.5366 -0.2568 -0.2568 -0.0676 -0.0676 0.0162 0.0162 3.9937 3.9937 7.0038 7.0038 7.2145 7.2145 7.3061 7.3061 8.1199 8.1199 8.1826 8.1826 10.2221 10.2221 12.6086 12.6086 13.7869 13.7869 17.1952 17.1953 k = 0.5000 0.1339 0.0810 ( 2414 PWs) bands (ev): -17.0317 -17.0317 -8.4692 -8.4692 -7.5999 -7.5999 -2.5597 -2.5597 -2.5244 -2.5244 -1.2324 -1.2324 -0.5582 -0.5582 -0.5364 -0.5364 -0.2568 -0.2568 -0.0673 -0.0673 0.0173 0.0173 3.9950 3.9950 7.0026 7.0026 7.2144 7.2144 7.3058 7.3058 8.1220 8.1220 8.1846 8.1846 10.2217 10.2217 12.6045 12.6045 13.7842 13.7842 17.1984 17.2126 k = 0.5000-0.8668-0.5244 ( 2432 PWs) bands (ev): -16.7445 -16.7445 -7.9799 -7.9799 -7.6840 -7.6840 -2.5486 -2.5486 -2.3935 -2.3935 -1.8496 -1.8496 -1.0847 -1.0847 -0.5688 -0.5688 -0.3775 -0.3775 -0.0036 -0.0036 0.2699 0.2699 3.7849 3.7849 4.9162 4.9162 6.3535 6.3535 6.5178 6.5178 8.1073 8.1073 8.1662 8.1662 11.6876 11.6876 13.0987 13.0987 14.2873 14.2873 17.1236 17.1236 k = 0.5186-0.8589-0.5196 ( 2421 PWs) bands (ev): -16.7445 -16.7445 -7.9797 -7.9797 -7.6843 -7.6843 -2.5483 -2.5483 -2.3930 -2.3930 -1.8500 -1.8500 -1.0843 -1.0843 -0.5686 -0.5686 -0.3779 -0.3779 -0.0040 -0.0040 0.2696 0.2696 3.7835 3.7835 4.9180 4.9180 6.3548 6.3548 6.5192 6.5192 8.1058 8.1058 8.1652 8.1652 11.6862 11.6862 13.1009 13.1009 14.2878 14.2878 17.1229 17.1229 k = 0.5373-0.8510-0.5148 ( 2421 PWs) bands (ev): -16.7445 -16.7445 -7.9790 -7.9790 -7.6851 -7.6851 -2.5477 -2.5477 -2.3918 -2.3918 -1.8512 -1.8512 -1.0831 -1.0831 -0.5681 -0.5681 -0.3790 -0.3790 -0.0053 -0.0053 0.2686 0.2686 3.7792 3.7792 4.9233 4.9233 6.3585 6.3585 6.5234 6.5234 8.1013 8.1013 8.1621 8.1621 11.6820 11.6820 13.1075 13.1075 14.2892 14.2892 17.1207 17.1207 k = 0.5559-0.8432-0.5101 ( 2422 PWs) bands (ev): -16.7445 -16.7445 -7.9779 -7.9779 -7.6866 -7.6866 -2.5466 -2.5466 -2.3898 -2.3898 -1.8532 -1.8532 -1.0810 -1.0810 -0.5673 -0.5673 -0.3808 -0.3808 -0.0075 -0.0075 0.2671 0.2671 3.7722 3.7722 4.9320 4.9320 6.3647 6.3647 6.5304 6.5304 8.0938 8.0938 8.1571 8.1571 11.6752 11.6752 13.1184 13.1184 14.2916 14.2916 17.1170 17.1170 k = 0.5746-0.8353-0.5053 ( 2422 PWs) bands (ev): -16.7446 -16.7446 -7.9763 -7.9763 -7.6885 -7.6885 -2.5452 -2.5452 -2.3869 -2.3869 -1.8560 -1.8560 -1.0782 -1.0782 -0.5661 -0.5661 -0.3833 -0.3833 -0.0105 -0.0105 0.2650 0.2650 3.7627 3.7627 4.9441 4.9441 6.3731 6.3731 6.5402 6.5402 8.0832 8.0832 8.1503 8.1503 11.6659 11.6659 13.1334 13.1334 14.2948 14.2948 17.1120 17.1120 k = 0.5932-0.8274-0.5005 ( 2426 PWs) bands (ev): -16.7446 -16.7446 -7.9742 -7.9742 -7.6911 -7.6911 -2.5433 -2.5433 -2.3833 -2.3833 -1.8595 -1.8595 -1.0746 -1.0746 -0.5647 -0.5647 -0.3865 -0.3865 -0.0143 -0.0143 0.2624 0.2624 3.7509 3.7509 4.9591 4.9591 6.3834 6.3834 6.5528 6.5528 8.0696 8.0696 8.1419 8.1419 11.6543 11.6543 13.1522 13.1522 14.2989 14.2989 17.1057 17.1057 k = 0.6119-0.8195-0.4958 ( 2424 PWs) bands (ev): -16.7447 -16.7447 -7.9718 -7.9718 -7.6941 -7.6941 -2.5412 -2.5412 -2.3788 -2.3788 -1.8639 -1.8639 -1.0702 -1.0702 -0.5629 -0.5629 -0.3904 -0.3904 -0.0190 -0.0190 0.2593 0.2593 3.7371 3.7371 4.9771 4.9771 6.3955 6.3955 6.5682 6.5682 8.0529 8.0529 8.1321 8.1321 11.6407 11.6407 13.1745 13.1745 14.3037 14.3037 17.0982 17.0982 k = 0.6305-0.8117-0.4910 ( 2425 PWs) bands (ev): -16.7448 -16.7448 -7.9689 -7.9689 -7.6976 -7.6976 -2.5388 -2.5388 -2.3734 -2.3734 -1.8690 -1.8690 -1.0652 -1.0652 -0.5608 -0.5608 -0.3949 -0.3949 -0.0243 -0.0243 0.2557 0.2557 3.7217 3.7217 4.9976 4.9976 6.4088 6.4088 6.5863 6.5863 8.0334 8.0334 8.1210 8.1210 11.6253 11.6253 13.1999 13.1999 14.3093 14.3093 17.0897 17.0897 k = 0.6492-0.8038-0.4863 ( 2432 PWs) bands (ev): -16.7449 -16.7449 -7.9657 -7.9657 -7.7016 -7.7016 -2.5362 -2.5362 -2.3672 -2.3672 -1.8749 -1.8749 -1.0595 -1.0595 -0.5583 -0.5583 -0.3999 -0.3999 -0.0304 -0.0304 0.2518 0.2518 3.7050 3.7050 5.0203 5.0203 6.4233 6.4233 6.6070 6.6070 8.0111 8.0111 8.1089 8.1089 11.6083 11.6083 13.2279 13.2279 14.3154 14.3154 17.0804 17.0804 k = 0.6678-0.7959-0.4815 ( 2434 PWs) bands (ev): -16.7450 -16.7450 -7.9622 -7.9622 -7.7060 -7.7060 -2.5334 -2.5334 -2.3602 -2.3602 -1.8816 -1.8816 -1.0531 -1.0531 -0.5556 -0.5556 -0.4055 -0.4055 -0.0371 -0.0371 0.2475 0.2475 3.6874 3.6874 5.0451 5.0451 6.4386 6.4386 6.6301 6.6301 7.9862 7.9862 8.0959 8.0959 11.5902 11.5902 13.2583 13.2583 14.3221 14.3221 17.0703 17.0703 k = 0.6865-0.7880-0.4767 ( 2434 PWs) bands (ev): -16.7451 -16.7451 -7.9583 -7.9583 -7.7107 -7.7107 -2.5305 -2.5305 -2.3524 -2.3524 -1.8891 -1.8891 -1.0462 -1.0462 -0.5526 -0.5526 -0.4115 -0.4115 -0.0445 -0.0445 0.2429 0.2429 3.6691 3.6691 5.0716 5.0716 6.4544 6.4544 6.6553 6.6553 7.9590 7.9590 8.0821 8.0821 11.5712 11.5712 13.2904 13.2904 14.3291 14.3291 17.0596 17.0596 k = 0.7051-0.7802-0.4720 ( 2432 PWs) bands (ev): -16.7452 -16.7452 -7.9541 -7.9541 -7.7158 -7.7158 -2.5275 -2.5275 -2.3437 -2.3437 -1.8973 -1.8973 -1.0389 -1.0389 -0.5493 -0.5493 -0.4179 -0.4179 -0.0523 -0.0523 0.2382 0.2382 3.6504 3.6504 5.0996 5.0996 6.4706 6.4706 6.6823 6.6823 7.9299 7.9299 8.0678 8.0678 11.5517 11.5517 13.3238 13.3238 14.3363 14.3363 17.0485 17.0485 k = 0.7238-0.7723-0.4672 ( 2432 PWs) bands (ev): -16.7454 -16.7454 -7.9498 -7.9498 -7.7211 -7.7211 -2.5246 -2.5246 -2.3342 -2.3342 -1.9062 -1.9062 -1.0311 -1.0311 -0.5458 -0.5458 -0.4246 -0.4246 -0.0605 -0.0605 0.2333 0.2333 3.6318 3.6318 5.1287 5.1287 6.4870 6.4870 6.7106 6.7106 7.8990 7.8990 8.0531 8.0531 11.5319 11.5319 13.3582 13.3582 14.3436 14.3436 17.0371 17.0371 k = 0.7424-0.7644-0.4624 ( 2435 PWs) bands (ev): -16.7455 -16.7455 -7.9452 -7.9452 -7.7266 -7.7266 -2.5217 -2.5217 -2.3240 -2.3240 -1.9158 -1.9158 -1.0231 -1.0231 -0.5420 -0.5420 -0.4315 -0.4315 -0.0692 -0.0692 0.2284 0.2284 3.6133 3.6133 5.1587 5.1587 6.5033 6.5033 6.7399 6.7399 7.8667 7.8667 8.0382 8.0382 11.5121 11.5121 13.3929 13.3929 14.3507 14.3507 17.0256 17.0256 k = 0.7611-0.7565-0.4577 ( 2438 PWs) bands (ev): -16.7457 -16.7457 -7.9406 -7.9406 -7.7321 -7.7321 -2.5189 -2.5189 -2.3130 -2.3130 -1.9261 -1.9261 -1.0149 -1.0149 -0.5381 -0.5381 -0.4385 -0.4385 -0.0780 -0.0780 0.2234 0.2234 3.5953 3.5953 5.1892 5.1892 6.5194 6.5194 6.7697 6.7697 7.8334 7.8334 8.0233 8.0233 11.4928 11.4928 13.4275 13.4275 14.3576 14.3576 17.0140 17.0140 k = 0.7797-0.7487-0.4529 ( 2441 PWs) bands (ev): -16.7459 -16.7459 -7.9359 -7.9359 -7.7377 -7.7377 -2.5163 -2.5163 -2.3013 -2.3013 -1.9371 -1.9371 -1.0066 -1.0066 -0.5339 -0.5339 -0.4455 -0.4455 -0.0870 -0.0870 0.2186 0.2186 3.5779 3.5779 5.2201 5.2201 6.5351 6.5351 6.7996 6.7996 7.7994 7.7994 8.0087 8.0087 11.4741 11.4741 13.4616 13.4616 14.3641 14.3641 17.0025 17.0025 k = 0.7984-0.7408-0.4481 ( 2437 PWs) bands (ev): -16.7461 -16.7461 -7.9313 -7.9313 -7.7433 -7.7433 -2.5138 -2.5138 -2.2889 -2.2889 -1.9487 -1.9487 -0.9985 -0.9985 -0.5297 -0.5297 -0.4524 -0.4524 -0.0961 -0.0961 0.2139 0.2139 3.5614 3.5614 5.2510 5.2510 6.5502 6.5502 6.8289 6.8289 7.7652 7.7652 7.9946 7.9946 11.4564 11.4564 13.4946 13.4946 14.3699 14.3699 16.9912 16.9912 k = 0.8170-0.7329-0.4434 ( 2433 PWs) bands (ev): -16.7463 -16.7463 -7.9269 -7.9269 -7.7486 -7.7486 -2.5115 -2.5115 -2.2759 -2.2759 -1.9608 -1.9608 -0.9906 -0.9906 -0.5255 -0.5255 -0.4590 -0.4590 -0.1050 -0.1050 0.2093 0.2093 3.5460 3.5460 5.2816 5.2816 6.5645 6.5645 6.8572 6.8572 7.7312 7.7312 7.9813 7.9813 11.4400 11.4400 13.5260 13.5260 14.3750 14.3750 16.9802 16.9802 Writing output data file RbTlO2.save init_run : 0.32s CPU 0.51s WALL ( 1 calls) electrons : 173.51s CPU 175.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 173.50s CPU 175.67s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 348 calls) cegterg : 159.42s CPU 161.17s WALL ( 510 calls) Called by sum_band: Called by *egterg: h_psi : 113.46s CPU 114.68s WALL ( 9627 calls) s_psi : 3.52s CPU 3.51s WALL ( 9627 calls) g_psi : 0.11s CPU 0.11s WALL ( 8769 calls) cdiaghg : 46.82s CPU 47.40s WALL ( 9117 calls) cegterg:over : 3.07s CPU 3.11s WALL ( 8769 calls) cegterg:upda : 2.29s CPU 2.43s WALL ( 8769 calls) cegterg:last : 1.22s CPU 1.22s WALL ( 1206 calls) cdiaghg:chol : 2.46s CPU 2.49s WALL ( 9117 calls) cdiaghg:inve : 1.40s CPU 1.49s WALL ( 9117 calls) cdiaghg:para : 2.72s CPU 2.64s WALL ( 18234 calls) Called by h_psi: h_psi:vloc : 107.96s CPU 109.19s WALL ( 9627 calls) h_psi:vnl : 5.39s CPU 5.37s WALL ( 9627 calls) add_vuspsi : 2.87s CPU 2.79s WALL ( 9627 calls) General routines calbec : 2.49s CPU 2.56s WALL ( 9627 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 98.50s CPU 100.01s WALL ( 668752 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.12s WALL ( 696 calls) Parallel routines fft_scatter : 23.01s CPU 23.21s WALL ( 668775 calls) PWSCF : 3m 5.73s CPU 3m28.25s WALL This run was terminated on: 20:54:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=