Program PWSCF v.5.4.0 starts on 21Mar2017 at 3:12: 4
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI & OpenMP), running on 144 processor cores
Number of MPI processes: 72
Threads/MPI process: 2
R & G space division: proc/nbgrp/npool/nimage = 72
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:
./Tl2C3O4.save/
file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per band group will be used
scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 55 31 8 2794 1206 174
Max 56 32 9 2800 1229 181
Sum 3987 2283 635 201321 87701 12849
bravais-lattice index = 14
lattice parameter (alat) = 13.7333 a.u.
unit-cell volume = 2015.1786 (a.u.)^3
number of atoms/cell = 18
number of atomic types = 3
number of electrons = 124.00
number of Kohn-Sham states= 148
kinetic-energy cutoff = 47.0000 Ry
charge density cutoff = 327.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 13.733294 celldm(2)= 1.000000 celldm(3)= 0.996719
celldm(4)= 0.248658 celldm(5)= 0.248658 celldm(6)= 0.582271
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.582271 0.812995 0.000000 )
a(3) = ( 0.247842 0.127345 0.956977 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.716205 -0.163679 )
b(2) = ( 0.000000 1.230020 -0.163679 )
b(3) = ( 0.000000 0.000000 1.044957 )
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 C read from file:
/users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3
Pseudo is Ultrasoft + core correction, Zval = 4.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1073 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
O 6.00 15.99940 O( 1.00)
Tl 13.00 204.38330 Tl( 1.00)
C 4.00 12.01070 C( 1.00)
No symmetry 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 )
double point group C_1 (1)
there are 2 classes and 1 irreducible representations
the character table:
E -E
G_2 1.00 -1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
Cartesian axes
number of k points= 239 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841
k( 2) = ( 0.0192308 0.0098811 -0.0062953), wk = 0.0041841
k( 3) = ( 0.0384615 0.0197621 -0.0125907), wk = 0.0041841
k( 4) = ( 0.0576923 0.0296432 -0.0188860), wk = 0.0041841
k( 5) = ( 0.0769231 0.0395242 -0.0251813), wk = 0.0041841
k( 6) = ( 0.0961538 0.0494053 -0.0314767), wk = 0.0041841
k( 7) = ( 0.1153846 0.0592863 -0.0377720), wk = 0.0041841
k( 8) = ( 0.1346154 0.0691674 -0.0440673), wk = 0.0041841
k( 9) = ( 0.1538461 0.0790485 -0.0503626), wk = 0.0041841
k( 10) = ( 0.1730769 0.0889295 -0.0566580), wk = 0.0041841
k( 11) = ( 0.1923077 0.0988106 -0.0629533), wk = 0.0041841
k( 12) = ( 0.2115385 0.1086916 -0.0692486), wk = 0.0041841
k( 13) = ( 0.2307692 0.1185727 -0.0755440), wk = 0.0041841
k( 14) = ( 0.2500000 0.1284537 -0.0818393), wk = 0.0041841
k( 15) = ( 0.2692308 0.1383348 -0.0881346), wk = 0.0041841
k( 16) = ( 0.2884615 0.1482159 -0.0944300), wk = 0.0041841
k( 17) = ( 0.3076923 0.1580969 -0.1007253), wk = 0.0041841
k( 18) = ( 0.3269231 0.1679780 -0.1070206), wk = 0.0041841
k( 19) = ( 0.3461538 0.1778590 -0.1133159), wk = 0.0041841
k( 20) = ( 0.3653846 0.1877401 -0.1196113), wk = 0.0041841
k( 21) = ( 0.3846154 0.1976211 -0.1259066), wk = 0.0041841
k( 22) = ( 0.4038462 0.2075022 -0.1322019), wk = 0.0041841
k( 23) = ( 0.4230769 0.2173833 -0.1384973), wk = 0.0041841
k( 24) = ( 0.4423077 0.2272643 -0.1447926), wk = 0.0041841
k( 25) = ( 0.4615385 0.2371454 -0.1510879), wk = 0.0041841
k( 26) = ( 0.4807692 0.2470264 -0.1573833), wk = 0.0041841
k( 27) = ( 0.5000000 0.2569075 -0.1636786), wk = 0.0041841
k( 28) = ( 0.5000000 0.2569075 -0.1636786), wk = 0.0041841
k( 29) = ( 0.5054661 0.2597160 -0.1425727), wk = 0.0041841
k( 30) = ( 0.5109322 0.2625246 -0.1214668), wk = 0.0041841
k( 31) = ( 0.5163982 0.2653331 -0.1003610), wk = 0.0041841
k( 32) = ( 0.5218643 0.2681417 -0.0792551), wk = 0.0041841
k( 33) = ( 0.5273304 0.2709503 -0.0581492), wk = 0.0041841
k( 34) = ( 0.5327965 0.2737588 -0.0370434), wk = 0.0041841
k( 35) = ( 0.5382626 0.2765674 -0.0159375), wk = 0.0041841
k( 36) = ( 0.5437286 0.2793759 0.0051684), wk = 0.0041841
k( 37) = ( 0.5491947 0.2821845 0.0262742), wk = 0.0041841
k( 38) = ( 0.5546608 0.2849930 0.0473801), wk = 0.0041841
k( 39) = ( 0.5601269 0.2878016 0.0684860), wk = 0.0041841
k( 40) = ( 0.5655930 0.2906101 0.0895918), wk = 0.0041841
k( 41) = ( 0.5710591 0.2934187 0.1106977), wk = 0.0041841
k( 42) = ( 0.5765251 0.2962272 0.1318036), wk = 0.0041841
k( 43) = ( 0.5819912 0.2990358 0.1529094), wk = 0.0041841
k( 44) = ( 0.5874573 0.3018444 0.1740153), wk = 0.0041841
k( 45) = ( 0.5929234 0.3046529 0.1951212), wk = 0.0041841
k( 46) = ( 0.5929234 0.3046529 0.1951212), wk = 0.0041841
k( 47) = ( 0.5825986 0.2993479 0.2133077), wk = 0.0041841
k( 48) = ( 0.5722737 0.2940428 0.2314942), wk = 0.0041841
k( 49) = ( 0.5619489 0.2887378 0.2496807), wk = 0.0041841
k( 50) = ( 0.5516241 0.2834327 0.2678672), wk = 0.0041841
k( 51) = ( 0.5412993 0.2781277 0.2860537), wk = 0.0041841
k( 52) = ( 0.5309745 0.2728226 0.3042402), wk = 0.0041841
k( 53) = ( 0.5206496 0.2675176 0.3224268), wk = 0.0041841
k( 54) = ( 0.5103248 0.2622125 0.3406133), wk = 0.0041841
k( 55) = ( 0.5000000 0.2569075 0.3587998), wk = 0.0041841
k( 56) = ( 0.5000000 0.2569075 0.3587998), wk = 0.0041841
k( 57) = ( 0.5101965 0.2370628 0.3587998), wk = 0.0041841
k( 58) = ( 0.5203930 0.2172181 0.3587998), wk = 0.0041841
k( 59) = ( 0.5305895 0.1973734 0.3587998), wk = 0.0041841
k( 60) = ( 0.5407860 0.1775287 0.3587998), wk = 0.0041841
k( 61) = ( 0.5509825 0.1576840 0.3587998), wk = 0.0041841
k( 62) = ( 0.5611790 0.1378394 0.3587998), wk = 0.0041841
k( 63) = ( 0.5713755 0.1179947 0.3587998), wk = 0.0041841
k( 64) = ( 0.5815720 0.0981500 0.3587998), wk = 0.0041841
k( 65) = ( 0.5917685 0.0783053 0.3587998), wk = 0.0041841
k( 66) = ( 0.6019650 0.0584606 0.3587998), wk = 0.0041841
k( 67) = ( 0.6121615 0.0386159 0.3587998), wk = 0.0041841
k( 68) = ( 0.6223580 0.0187712 0.3587998), wk = 0.0041841
k( 69) = ( 0.6325545 -0.0010735 0.3587998), wk = 0.0041841
k( 70) = ( 0.6427510 -0.0209182 0.3587998), wk = 0.0041841
k( 71) = ( 0.6529475 -0.0407629 0.3587998), wk = 0.0041841
k( 72) = ( 0.6631440 -0.0606075 0.3587998), wk = 0.0041841
k( 73) = ( 0.6733405 -0.0804522 0.3587998), wk = 0.0041841
k( 74) = ( 0.6835370 -0.1002969 0.3587998), wk = 0.0041841
k( 75) = ( 0.6937335 -0.1201416 0.3587998), wk = 0.0041841
k( 76) = ( 0.7039300 -0.1399863 0.3587998), wk = 0.0041841
k( 77) = ( 0.7141265 -0.1598310 0.3587998), wk = 0.0041841
k( 78) = ( 0.2858735 -0.5563745 0.5224784), wk = 0.0041841
k( 79) = ( 0.2756638 -0.5365039 0.5224784), wk = 0.0041841
k( 80) = ( 0.2654540 -0.5166334 0.5224784), wk = 0.0041841
k( 81) = ( 0.2552442 -0.4967629 0.5224784), wk = 0.0041841
k( 82) = ( 0.2450344 -0.4768924 0.5224784), wk = 0.0041841
k( 83) = ( 0.2348247 -0.4570219 0.5224784), wk = 0.0041841
k( 84) = ( 0.2246149 -0.4371513 0.5224784), wk = 0.0041841
k( 85) = ( 0.2144051 -0.4172809 0.5224784), wk = 0.0041841
k( 86) = ( 0.2041954 -0.3974103 0.5224784), wk = 0.0041841
k( 87) = ( 0.1939856 -0.3775398 0.5224784), wk = 0.0041841
k( 88) = ( 0.1837758 -0.3576693 0.5224784), wk = 0.0041841
k( 89) = ( 0.1735661 -0.3377988 0.5224784), wk = 0.0041841
k( 90) = ( 0.1633563 -0.3179283 0.5224784), wk = 0.0041841
k( 91) = ( 0.1531465 -0.2980577 0.5224784), wk = 0.0041841
k( 92) = ( 0.1429368 -0.2781872 0.5224784), wk = 0.0041841
k( 93) = ( 0.1327270 -0.2583167 0.5224784), wk = 0.0041841
k( 94) = ( 0.1225172 -0.2384462 0.5224784), wk = 0.0041841
k( 95) = ( 0.1123075 -0.2185757 0.5224784), wk = 0.0041841
k( 96) = ( 0.1020977 -0.1987052 0.5224784), wk = 0.0041841
k( 97) = ( 0.0918879 -0.1788346 0.5224784), wk = 0.0041841
k( 98) = ( 0.0816782 -0.1589641 0.5224784), wk = 0.0041841
k( 99) = ( 0.0714684 -0.1390936 0.5224784), wk = 0.0041841
k( 100) = ( 0.0612586 -0.1192231 0.5224784), wk = 0.0041841
k( 101) = ( 0.0510488 -0.0993526 0.5224784), wk = 0.0041841
k( 102) = ( 0.0408391 -0.0794821 0.5224784), wk = 0.0041841
k( 103) = ( 0.0306293 -0.0596116 0.5224784), wk = 0.0041841
k( 104) = ( 0.0204195 -0.0397410 0.5224784), wk = 0.0041841
k( 105) = ( 0.0102098 -0.0198705 0.5224784), wk = 0.0041841
k( 106) = ( 0.0000000 0.0000000 0.5224784), wk = 0.0041841
k( 107) = ( 0.0000000 0.0000000 0.5224784), wk = 0.0041841
k( 108) = ( 0.0203538 0.0104581 0.5224784), wk = 0.0041841
k( 109) = ( 0.0407077 0.0209162 0.5224784), wk = 0.0041841
k( 110) = ( 0.0610615 0.0313743 0.5224784), wk = 0.0041841
k( 111) = ( 0.0814153 0.0418324 0.5224784), wk = 0.0041841
k( 112) = ( 0.1017692 0.0522905 0.5224784), wk = 0.0041841
k( 113) = ( 0.1221230 0.0627486 0.5224784), wk = 0.0041841
k( 114) = ( 0.1424768 0.0732067 0.5224784), wk = 0.0041841
k( 115) = ( 0.1628306 0.0836648 0.5224784), wk = 0.0041841
k( 116) = ( 0.1831845 0.0941229 0.5224784), wk = 0.0041841
k( 117) = ( 0.2035383 0.1045810 0.5224784), wk = 0.0041841
k( 118) = ( 0.2238922 0.1150391 0.5224784), wk = 0.0041841
k( 119) = ( 0.2442460 0.1254972 0.5224784), wk = 0.0041841
k( 120) = ( 0.2645998 0.1359553 0.5224784), wk = 0.0041841
k( 121) = ( 0.2849536 0.1464134 0.5224784), wk = 0.0041841
k( 122) = ( 0.3053075 0.1568716 0.5224784), wk = 0.0041841
k( 123) = ( 0.3256613 0.1673297 0.5224784), wk = 0.0041841
k( 124) = ( 0.3460151 0.1777878 0.5224784), wk = 0.0041841
k( 125) = ( 0.3663690 0.1882459 0.5224784), wk = 0.0041841
k( 126) = ( 0.3867228 0.1987040 0.5224784), wk = 0.0041841
k( 127) = ( 0.4070766 0.2091621 0.5224784), wk = 0.0041841
k( 128) = ( 0.5000000 0.2569075 -0.1636786), wk = 0.0041841
k( 129) = ( 0.5104943 0.2364832 -0.1636786), wk = 0.0041841
k( 130) = ( 0.5209886 0.2160590 -0.1636786), wk = 0.0041841
k( 131) = ( 0.5314829 0.1956347 -0.1636786), wk = 0.0041841
k( 132) = ( 0.5419772 0.1752105 -0.1636786), wk = 0.0041841
k( 133) = ( 0.5524714 0.1547862 -0.1636786), wk = 0.0041841
k( 134) = ( 0.5629657 0.1343619 -0.1636786), wk = 0.0041841
k( 135) = ( 0.5734600 0.1139377 -0.1636786), wk = 0.0041841
k( 136) = ( 0.5839543 0.0935134 -0.1636786), wk = 0.0041841
k( 137) = ( 0.5944486 0.0730892 -0.1636786), wk = 0.0041841
k( 138) = ( 0.6049429 0.0526649 -0.1636786), wk = 0.0041841
k( 139) = ( 0.6154372 0.0322406 -0.1636786), wk = 0.0041841
k( 140) = ( 0.6259315 0.0118164 -0.1636786), wk = 0.0041841
k( 141) = ( 0.6364258 -0.0086079 -0.1636786), wk = 0.0041841
k( 142) = ( 0.6469200 -0.0290321 -0.1636786), wk = 0.0041841
k( 143) = ( 0.6574143 -0.0494564 -0.1636786), wk = 0.0041841
k( 144) = ( 0.6679086 -0.0698806 -0.1636786), wk = 0.0041841
k( 145) = ( 0.6784029 -0.0903049 -0.1636786), wk = 0.0041841
k( 146) = ( 0.3215971 -0.6259006 -0.0000000), wk = 0.0041841
k( 147) = ( 0.3112230 -0.6057102 -0.0000000), wk = 0.0041841
k( 148) = ( 0.3008489 -0.5855199 -0.0000000), wk = 0.0041841
k( 149) = ( 0.2904748 -0.5653295 -0.0000000), wk = 0.0041841
k( 150) = ( 0.2801007 -0.5451392 -0.0000000), wk = 0.0041841
k( 151) = ( 0.2697266 -0.5249488 -0.0000000), wk = 0.0041841
k( 152) = ( 0.2593525 -0.5047585 -0.0000000), wk = 0.0041841
k( 153) = ( 0.2489784 -0.4845682 -0.0000000), wk = 0.0041841
k( 154) = ( 0.2386043 -0.4643778 -0.0000000), wk = 0.0041841
k( 155) = ( 0.2282302 -0.4441875 -0.0000000), wk = 0.0041841
k( 156) = ( 0.2178561 -0.4239971 -0.0000000), wk = 0.0041841
k( 157) = ( 0.2074820 -0.4038068 -0.0000000), wk = 0.0041841
k( 158) = ( 0.1971079 -0.3836165 -0.0000000), wk = 0.0041841
k( 159) = ( 0.1867338 -0.3634261 -0.0000000), wk = 0.0041841
k( 160) = ( 0.1763597 -0.3432358 -0.0000000), wk = 0.0041841
k( 161) = ( 0.1659856 -0.3230455 -0.0000000), wk = 0.0041841
k( 162) = ( 0.1556115 -0.3028551 -0.0000000), wk = 0.0041841
k( 163) = ( 0.1452374 -0.2826648 -0.0000000), wk = 0.0041841
k( 164) = ( 0.1348633 -0.2624744 -0.0000000), wk = 0.0041841
k( 165) = ( 0.1244892 -0.2422841 -0.0000000), wk = 0.0041841
k( 166) = ( 0.1141151 -0.2220937 -0.0000000), wk = 0.0041841
k( 167) = ( 0.1037410 -0.2019034 -0.0000000), wk = 0.0041841
k( 168) = ( 0.0933669 -0.1817131 -0.0000000), wk = 0.0041841
k( 169) = ( 0.0829928 -0.1615227 -0.0000000), wk = 0.0041841
k( 170) = ( 0.0726187 -0.1413324 -0.0000000), wk = 0.0041841
k( 171) = ( 0.0622446 -0.1211421 -0.0000000), wk = 0.0041841
k( 172) = ( 0.0518705 -0.1009517 -0.0000000), wk = 0.0041841
k( 173) = ( 0.0414964 -0.0807614 -0.0000000), wk = 0.0041841
k( 174) = ( 0.0311223 -0.0605710 -0.0000000), wk = 0.0041841
k( 175) = ( 0.0207482 -0.0403807 -0.0000000), wk = 0.0041841
k( 176) = ( 0.0103741 -0.0201903 -0.0000000), wk = 0.0041841
k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841
k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841
k( 179) = ( 0.0185185 -0.0132631 -0.0030311), wk = 0.0041841
k( 180) = ( 0.0370370 -0.0265261 -0.0060622), wk = 0.0041841
k( 181) = ( 0.0555556 -0.0397892 -0.0090933), wk = 0.0041841
k( 182) = ( 0.0740741 -0.0530523 -0.0121243), wk = 0.0041841
k( 183) = ( 0.0925926 -0.0663153 -0.0151554), wk = 0.0041841
k( 184) = ( 0.1111111 -0.0795784 -0.0181865), wk = 0.0041841
k( 185) = ( 0.1296296 -0.0928414 -0.0212176), wk = 0.0041841
k( 186) = ( 0.1481482 -0.1061045 -0.0242487), wk = 0.0041841
k( 187) = ( 0.1666667 -0.1193676 -0.0272798), wk = 0.0041841
k( 188) = ( 0.1851852 -0.1326306 -0.0303109), wk = 0.0041841
k( 189) = ( 0.2037037 -0.1458937 -0.0333419), wk = 0.0041841
k( 190) = ( 0.2222222 -0.1591568 -0.0363730), wk = 0.0041841
k( 191) = ( 0.2407407 -0.1724198 -0.0394041), wk = 0.0041841
k( 192) = ( 0.2592593 -0.1856829 -0.0424352), wk = 0.0041841
k( 193) = ( 0.2777778 -0.1989460 -0.0454663), wk = 0.0041841
k( 194) = ( 0.2962963 -0.2122090 -0.0484974), wk = 0.0041841
k( 195) = ( 0.3148148 -0.2254721 -0.0515284), wk = 0.0041841
k( 196) = ( 0.3333333 -0.2387351 -0.0545595), wk = 0.0041841
k( 197) = ( 0.3518519 -0.2519982 -0.0575906), wk = 0.0041841
k( 198) = ( 0.3703704 -0.2652613 -0.0606217), wk = 0.0041841
k( 199) = ( 0.3888889 -0.2785243 -0.0636528), wk = 0.0041841
k( 200) = ( 0.4074074 -0.2917874 -0.0666839), wk = 0.0041841
k( 201) = ( 0.4259259 -0.3050505 -0.0697150), wk = 0.0041841
k( 202) = ( 0.4444444 -0.3183135 -0.0727460), wk = 0.0041841
k( 203) = ( 0.4629630 -0.3315766 -0.0757771), wk = 0.0041841
k( 204) = ( 0.4814815 -0.3448397 -0.0788082), wk = 0.0041841
k( 205) = ( 0.5000000 -0.3581027 -0.0818393), wk = 0.0041841
k( 206) = ( 0.5000000 -0.3581027 0.4406391), wk = 0.0041841
k( 207) = ( 0.4848485 -0.3472511 0.4272864), wk = 0.0041841
k( 208) = ( 0.4696970 -0.3363995 0.4139337), wk = 0.0041841
k( 209) = ( 0.4545455 -0.3255479 0.4005810), wk = 0.0041841
k( 210) = ( 0.4393939 -0.3146963 0.3872283), wk = 0.0041841
k( 211) = ( 0.4242424 -0.3038447 0.3738756), wk = 0.0041841
k( 212) = ( 0.4090909 -0.2929931 0.3605229), wk = 0.0041841
k( 213) = ( 0.3939394 -0.2821415 0.3471702), wk = 0.0041841
k( 214) = ( 0.3787879 -0.2712899 0.3338175), wk = 0.0041841
k( 215) = ( 0.3636364 -0.2604383 0.3204648), wk = 0.0041841
k( 216) = ( 0.3484849 -0.2495867 0.3071121), wk = 0.0041841
k( 217) = ( 0.3333333 -0.2387351 0.2937594), wk = 0.0041841
k( 218) = ( 0.3181818 -0.2278836 0.2804067), wk = 0.0041841
k( 219) = ( 0.3030303 -0.2170320 0.2670540), wk = 0.0041841
k( 220) = ( 0.2878788 -0.2061804 0.2537013), wk = 0.0041841
k( 221) = ( 0.2727273 -0.1953288 0.2403486), wk = 0.0041841
k( 222) = ( 0.2575758 -0.1844772 0.2269959), wk = 0.0041841
k( 223) = ( 0.2424242 -0.1736256 0.2136432), wk = 0.0041841
k( 224) = ( 0.2272727 -0.1627740 0.2002905), wk = 0.0041841
k( 225) = ( 0.2121212 -0.1519224 0.1869378), wk = 0.0041841
k( 226) = ( 0.1969697 -0.1410708 0.1735851), wk = 0.0041841
k( 227) = ( 0.1818182 -0.1302192 0.1602324), wk = 0.0041841
k( 228) = ( 0.1666667 -0.1193676 0.1468797), wk = 0.0041841
k( 229) = ( 0.1515151 -0.1085160 0.1335270), wk = 0.0041841
k( 230) = ( 0.1363636 -0.0976644 0.1201743), wk = 0.0041841
k( 231) = ( 0.1212121 -0.0868128 0.1068216), wk = 0.0041841
k( 232) = ( 0.1060606 -0.0759612 0.0934689), wk = 0.0041841
k( 233) = ( 0.0909091 -0.0651096 0.0801162), wk = 0.0041841
k( 234) = ( 0.0757576 -0.0542580 0.0667635), wk = 0.0041841
k( 235) = ( 0.0606061 -0.0434064 0.0534108), wk = 0.0041841
k( 236) = ( 0.0454546 -0.0325548 0.0400581), wk = 0.0041841
k( 237) = ( 0.0303030 -0.0217032 0.0267054), wk = 0.0041841
k( 238) = ( 0.0151515 -0.0108516 0.0133527), wk = 0.0041841
k( 239) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841
k( 2) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0041841
k( 3) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0041841
k( 4) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0041841
k( 5) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0041841
k( 6) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0041841
k( 7) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0041841
k( 8) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0041841
k( 9) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0041841
k( 10) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0041841
k( 11) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0041841
k( 12) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0041841
k( 13) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0041841
k( 14) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0041841
k( 15) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0041841
k( 16) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0041841
k( 17) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0041841
k( 18) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0041841
k( 19) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0041841
k( 20) = ( 0.3653846 0.3653846 -0.0000000), wk = 0.0041841
k( 21) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0041841
k( 22) = ( 0.4038462 0.4038461 -0.0000000), wk = 0.0041841
k( 23) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0041841
k( 24) = ( 0.4423077 0.4423077 -0.0000000), wk = 0.0041841
k( 25) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0041841
k( 26) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0041841
k( 27) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0041841
k( 28) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0041841
k( 29) = ( 0.5054661 0.5054661 0.0219102), wk = 0.0041841
k( 30) = ( 0.5109322 0.5109322 0.0438204), wk = 0.0041841
k( 31) = ( 0.5163982 0.5163982 0.0657307), wk = 0.0041841
k( 32) = ( 0.5218643 0.5218643 0.0876409), wk = 0.0041841
k( 33) = ( 0.5273304 0.5273304 0.1095511), wk = 0.0041841
k( 34) = ( 0.5327965 0.5327965 0.1314613), wk = 0.0041841
k( 35) = ( 0.5382626 0.5382626 0.1533715), wk = 0.0041841
k( 36) = ( 0.5437286 0.5437286 0.1752818), wk = 0.0041841
k( 37) = ( 0.5491947 0.5491947 0.1971920), wk = 0.0041841
k( 38) = ( 0.5546608 0.5546608 0.2191022), wk = 0.0041841
k( 39) = ( 0.5601269 0.5601269 0.2410124), wk = 0.0041841
k( 40) = ( 0.5655930 0.5655930 0.2629226), wk = 0.0041841
k( 41) = ( 0.5710591 0.5710591 0.2848328), wk = 0.0041841
k( 42) = ( 0.5765251 0.5765251 0.3067431), wk = 0.0041841
k( 43) = ( 0.5819912 0.5819912 0.3286533), wk = 0.0041841
k( 44) = ( 0.5874573 0.5874573 0.3505635), wk = 0.0041841
k( 45) = ( 0.5929234 0.5929234 0.3724737), wk = 0.0041841
k( 46) = ( 0.5929234 0.5929234 0.3724737), wk = 0.0041841
k( 47) = ( 0.5825986 0.5825986 0.3866433), wk = 0.0041841
k( 48) = ( 0.5722737 0.5722737 0.4008129), wk = 0.0041841
k( 49) = ( 0.5619489 0.5619489 0.4149825), wk = 0.0041841
k( 50) = ( 0.5516241 0.5516241 0.4291521), wk = 0.0041841
k( 51) = ( 0.5412993 0.5412993 0.4433217), wk = 0.0041841
k( 52) = ( 0.5309745 0.5309745 0.4574912), wk = 0.0041841
k( 53) = ( 0.5206496 0.5206496 0.4716608), wk = 0.0041841
k( 54) = ( 0.5103248 0.5103248 0.4858304), wk = 0.0041841
k( 55) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041841
k( 56) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041841
k( 57) = ( 0.5101965 0.4898035 0.5000000), wk = 0.0041841
k( 58) = ( 0.5203930 0.4796070 0.5000000), wk = 0.0041841
k( 59) = ( 0.5305895 0.4694105 0.5000000), wk = 0.0041841
k( 60) = ( 0.5407860 0.4592140 0.5000000), wk = 0.0041841
k( 61) = ( 0.5509825 0.4490175 0.5000000), wk = 0.0041841
k( 62) = ( 0.5611790 0.4388210 0.5000000), wk = 0.0041841
k( 63) = ( 0.5713755 0.4286245 0.5000000), wk = 0.0041841
k( 64) = ( 0.5815720 0.4184280 0.5000000), wk = 0.0041841
k( 65) = ( 0.5917685 0.4082315 0.5000000), wk = 0.0041841
k( 66) = ( 0.6019650 0.3980350 0.5000000), wk = 0.0041841
k( 67) = ( 0.6121615 0.3878385 0.5000000), wk = 0.0041841
k( 68) = ( 0.6223580 0.3776420 0.5000000), wk = 0.0041841
k( 69) = ( 0.6325545 0.3674455 0.5000000), wk = 0.0041841
k( 70) = ( 0.6427510 0.3572490 0.5000000), wk = 0.0041841
k( 71) = ( 0.6529475 0.3470525 0.5000000), wk = 0.0041841
k( 72) = ( 0.6631440 0.3368560 0.5000000), wk = 0.0041841
k( 73) = ( 0.6733405 0.3266595 0.5000000), wk = 0.0041841
k( 74) = ( 0.6835370 0.3164630 0.5000000), wk = 0.0041841
k( 75) = ( 0.6937335 0.3062665 0.5000000), wk = 0.0041841
k( 76) = ( 0.7039300 0.2960700 0.5000000), wk = 0.0041841
k( 77) = ( 0.7141265 0.2858735 0.5000000), wk = 0.0041841
k( 78) = ( 0.2858735 -0.2858735 0.5000000), wk = 0.0041841
k( 79) = ( 0.2756638 -0.2756638 0.5000000), wk = 0.0041841
k( 80) = ( 0.2654540 -0.2654540 0.5000000), wk = 0.0041841
k( 81) = ( 0.2552442 -0.2552442 0.5000000), wk = 0.0041841
k( 82) = ( 0.2450344 -0.2450345 0.5000000), wk = 0.0041841
k( 83) = ( 0.2348247 -0.2348247 0.5000000), wk = 0.0041841
k( 84) = ( 0.2246149 -0.2246149 0.5000000), wk = 0.0041841
k( 85) = ( 0.2144051 -0.2144052 0.5000000), wk = 0.0041841
k( 86) = ( 0.2041954 -0.2041954 0.5000000), wk = 0.0041841
k( 87) = ( 0.1939856 -0.1939856 0.5000000), wk = 0.0041841
k( 88) = ( 0.1837758 -0.1837758 0.5000000), wk = 0.0041841
k( 89) = ( 0.1735661 -0.1735661 0.5000000), wk = 0.0041841
k( 90) = ( 0.1633563 -0.1633563 0.5000000), wk = 0.0041841
k( 91) = ( 0.1531465 -0.1531465 0.5000000), wk = 0.0041841
k( 92) = ( 0.1429368 -0.1429368 0.5000000), wk = 0.0041841
k( 93) = ( 0.1327270 -0.1327270 0.5000000), wk = 0.0041841
k( 94) = ( 0.1225172 -0.1225172 0.5000000), wk = 0.0041841
k( 95) = ( 0.1123075 -0.1123075 0.5000000), wk = 0.0041841
k( 96) = ( 0.1020977 -0.1020977 0.5000000), wk = 0.0041841
k( 97) = ( 0.0918879 -0.0918879 0.5000000), wk = 0.0041841
k( 98) = ( 0.0816782 -0.0816782 0.5000000), wk = 0.0041841
k( 99) = ( 0.0714684 -0.0714684 0.5000000), wk = 0.0041841
k( 100) = ( 0.0612586 -0.0612586 0.5000000), wk = 0.0041841
k( 101) = ( 0.0510488 -0.0510488 0.5000000), wk = 0.0041841
k( 102) = ( 0.0408391 -0.0408391 0.5000000), wk = 0.0041841
k( 103) = ( 0.0306293 -0.0306293 0.5000000), wk = 0.0041841
k( 104) = ( 0.0204195 -0.0204195 0.5000000), wk = 0.0041841
k( 105) = ( 0.0102098 -0.0102098 0.5000000), wk = 0.0041841
k( 106) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841
k( 107) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841
k( 108) = ( 0.0203538 0.0203538 0.5063763), wk = 0.0041841
k( 109) = ( 0.0407077 0.0407077 0.5127526), wk = 0.0041841
k( 110) = ( 0.0610615 0.0610615 0.5191289), wk = 0.0041841
k( 111) = ( 0.0814153 0.0814153 0.5255053), wk = 0.0041841
k( 112) = ( 0.1017692 0.1017692 0.5318816), wk = 0.0041841
k( 113) = ( 0.1221230 0.1221230 0.5382579), wk = 0.0041841
k( 114) = ( 0.1424768 0.1424768 0.5446342), wk = 0.0041841
k( 115) = ( 0.1628306 0.1628306 0.5510105), wk = 0.0041841
k( 116) = ( 0.1831845 0.1831845 0.5573868), wk = 0.0041841
k( 117) = ( 0.2035383 0.2035383 0.5637631), wk = 0.0041841
k( 118) = ( 0.2238922 0.2238922 0.5701395), wk = 0.0041841
k( 119) = ( 0.2442460 0.2442460 0.5765158), wk = 0.0041841
k( 120) = ( 0.2645998 0.2645998 0.5828921), wk = 0.0041841
k( 121) = ( 0.2849536 0.2849536 0.5892684), wk = 0.0041841
k( 122) = ( 0.3053075 0.3053075 0.5956447), wk = 0.0041841
k( 123) = ( 0.3256613 0.3256613 0.6020210), wk = 0.0041841
k( 124) = ( 0.3460151 0.3460151 0.6083973), wk = 0.0041841
k( 125) = ( 0.3663690 0.3663690 0.6147737), wk = 0.0041841
k( 126) = ( 0.3867228 0.3867228 0.6211500), wk = 0.0041841
k( 127) = ( 0.4070766 0.4070766 0.6275263), wk = 0.0041841
k( 128) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0041841
k( 129) = ( 0.5104943 0.4895057 -0.0000000), wk = 0.0041841
k( 130) = ( 0.5209886 0.4790114 0.0000000), wk = 0.0041841
k( 131) = ( 0.5314829 0.4685171 -0.0000000), wk = 0.0041841
k( 132) = ( 0.5419772 0.4580228 -0.0000000), wk = 0.0041841
k( 133) = ( 0.5524714 0.4475286 0.0000000), wk = 0.0041841
k( 134) = ( 0.5629657 0.4370343 0.0000000), wk = 0.0041841
k( 135) = ( 0.5734600 0.4265400 -0.0000000), wk = 0.0041841
k( 136) = ( 0.5839543 0.4160457 0.0000000), wk = 0.0041841
k( 137) = ( 0.5944486 0.4055514 -0.0000000), wk = 0.0041841
k( 138) = ( 0.6049429 0.3950571 0.0000000), wk = 0.0041841
k( 139) = ( 0.6154372 0.3845628 0.0000000), wk = 0.0041841
k( 140) = ( 0.6259315 0.3740685 -0.0000000), wk = 0.0041841
k( 141) = ( 0.6364258 0.3635742 0.0000000), wk = 0.0041841
k( 142) = ( 0.6469200 0.3530799 -0.0000000), wk = 0.0041841
k( 143) = ( 0.6574143 0.3425857 -0.0000000), wk = 0.0041841
k( 144) = ( 0.6679086 0.3320914 -0.0000000), wk = 0.0041841
k( 145) = ( 0.6784029 0.3215971 -0.0000000), wk = 0.0041841
k( 146) = ( 0.3215971 -0.3215971 0.0000000), wk = 0.0041841
k( 147) = ( 0.3112230 -0.3112230 0.0000000), wk = 0.0041841
k( 148) = ( 0.3008489 -0.3008489 0.0000000), wk = 0.0041841
k( 149) = ( 0.2904748 -0.2904748 0.0000000), wk = 0.0041841
k( 150) = ( 0.2801007 -0.2801007 -0.0000000), wk = 0.0041841
k( 151) = ( 0.2697266 -0.2697266 0.0000000), wk = 0.0041841
k( 152) = ( 0.2593525 -0.2593525 -0.0000000), wk = 0.0041841
k( 153) = ( 0.2489784 -0.2489784 -0.0000000), wk = 0.0041841
k( 154) = ( 0.2386043 -0.2386043 -0.0000000), wk = 0.0041841
k( 155) = ( 0.2282302 -0.2282302 -0.0000000), wk = 0.0041841
k( 156) = ( 0.2178561 -0.2178561 -0.0000000), wk = 0.0041841
k( 157) = ( 0.2074820 -0.2074820 0.0000000), wk = 0.0041841
k( 158) = ( 0.1971079 -0.1971079 0.0000000), wk = 0.0041841
k( 159) = ( 0.1867338 -0.1867338 -0.0000000), wk = 0.0041841
k( 160) = ( 0.1763597 -0.1763597 0.0000000), wk = 0.0041841
k( 161) = ( 0.1659856 -0.1659856 -0.0000000), wk = 0.0041841
k( 162) = ( 0.1556115 -0.1556115 0.0000000), wk = 0.0041841
k( 163) = ( 0.1452374 -0.1452374 0.0000000), wk = 0.0041841
k( 164) = ( 0.1348633 -0.1348633 0.0000000), wk = 0.0041841
k( 165) = ( 0.1244892 -0.1244892 -0.0000000), wk = 0.0041841
k( 166) = ( 0.1141151 -0.1141151 -0.0000000), wk = 0.0041841
k( 167) = ( 0.1037410 -0.1037410 0.0000000), wk = 0.0041841
k( 168) = ( 0.0933669 -0.0933669 0.0000000), wk = 0.0041841
k( 169) = ( 0.0829928 -0.0829928 -0.0000000), wk = 0.0041841
k( 170) = ( 0.0726187 -0.0726187 -0.0000000), wk = 0.0041841
k( 171) = ( 0.0622446 -0.0622446 -0.0000000), wk = 0.0041841
k( 172) = ( 0.0518705 -0.0518705 -0.0000000), wk = 0.0041841
k( 173) = ( 0.0414964 -0.0414964 -0.0000000), wk = 0.0041841
k( 174) = ( 0.0311223 -0.0311223 -0.0000000), wk = 0.0041841
k( 175) = ( 0.0207482 -0.0207482 -0.0000000), wk = 0.0041841
k( 176) = ( 0.0103741 -0.0103741 -0.0000000), wk = 0.0041841
k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841
k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841
k( 179) = ( 0.0185185 -0.0000000 -0.0000000), wk = 0.0041841
k( 180) = ( 0.0370370 -0.0000000 -0.0000000), wk = 0.0041841
k( 181) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0041841
k( 182) = ( 0.0740741 0.0000000 0.0000000), wk = 0.0041841
k( 183) = ( 0.0925926 -0.0000000 -0.0000000), wk = 0.0041841
k( 184) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0041841
k( 185) = ( 0.1296296 -0.0000000 0.0000000), wk = 0.0041841
k( 186) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0041841
k( 187) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0041841
k( 188) = ( 0.1851852 -0.0000000 0.0000000), wk = 0.0041841
k( 189) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0041841
k( 190) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0041841
k( 191) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0041841
k( 192) = ( 0.2592593 -0.0000000 0.0000000), wk = 0.0041841
k( 193) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0041841
k( 194) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0041841
k( 195) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0041841
k( 196) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0041841
k( 197) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0041841
k( 198) = ( 0.3703704 -0.0000000 -0.0000000), wk = 0.0041841
k( 199) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0041841
k( 200) = ( 0.4074074 -0.0000000 0.0000000), wk = 0.0041841
k( 201) = ( 0.4259259 -0.0000000 -0.0000000), wk = 0.0041841
k( 202) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0041841
k( 203) = ( 0.4629630 -0.0000000 0.0000000), wk = 0.0041841
k( 204) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0041841
k( 205) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0041841
k( 206) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041841
k( 207) = ( 0.4848485 -0.0000000 0.4848485), wk = 0.0041841
k( 208) = ( 0.4696970 0.0000000 0.4696970), wk = 0.0041841
k( 209) = ( 0.4545455 -0.0000000 0.4545455), wk = 0.0041841
k( 210) = ( 0.4393939 -0.0000000 0.4393939), wk = 0.0041841
k( 211) = ( 0.4242424 -0.0000000 0.4242424), wk = 0.0041841
k( 212) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0041841
k( 213) = ( 0.3939394 -0.0000000 0.3939394), wk = 0.0041841
k( 214) = ( 0.3787879 -0.0000000 0.3787879), wk = 0.0041841
k( 215) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0041841
k( 216) = ( 0.3484849 -0.0000000 0.3484849), wk = 0.0041841
k( 217) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0041841
k( 218) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0041841
k( 219) = ( 0.3030303 -0.0000000 0.3030303), wk = 0.0041841
k( 220) = ( 0.2878788 -0.0000000 0.2878788), wk = 0.0041841
k( 221) = ( 0.2727273 -0.0000000 0.2727273), wk = 0.0041841
k( 222) = ( 0.2575758 -0.0000000 0.2575758), wk = 0.0041841
k( 223) = ( 0.2424242 -0.0000000 0.2424242), wk = 0.0041841
k( 224) = ( 0.2272727 -0.0000000 0.2272727), wk = 0.0041841
k( 225) = ( 0.2121212 -0.0000000 0.2121212), wk = 0.0041841
k( 226) = ( 0.1969697 -0.0000000 0.1969697), wk = 0.0041841
k( 227) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0041841
k( 228) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0041841
k( 229) = ( 0.1515151 -0.0000000 0.1515151), wk = 0.0041841
k( 230) = ( 0.1363636 -0.0000000 0.1363636), wk = 0.0041841
k( 231) = ( 0.1212121 -0.0000000 0.1212121), wk = 0.0041841
k( 232) = ( 0.1060606 0.0000000 0.1060606), wk = 0.0041841
k( 233) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0041841
k( 234) = ( 0.0757576 -0.0000000 0.0757576), wk = 0.0041841
k( 235) = ( 0.0606061 -0.0000000 0.0606061), wk = 0.0041841
k( 236) = ( 0.0454546 -0.0000000 0.0454546), wk = 0.0041841
k( 237) = ( 0.0303030 -0.0000000 0.0303030), wk = 0.0041841
k( 238) = ( 0.0151515 -0.0000000 0.0151515), wk = 0.0041841
k( 239) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841
Dense grid: 201321 G-vectors FFT dimensions: ( 80, 80, 80)
Smooth grid: 87701 G-vectors FFT dimensions: ( 60, 60, 60)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.69 Mb ( 306, 148)
NL pseudopotentials 0.78 Mb ( 153, 332)
Each V/rho on FFT grid 0.20 Mb ( 12800)
Each G-vector array 0.02 Mb ( 2795)
G-vector shells 0.02 Mb ( 2730)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 2.76 Mb ( 306, 592)
Each subspace H/S matrix 0.15 Mb ( 98, 98)
Each <psi_i|beta_j> matrix 1.50 Mb ( 332, 2, 148)
Check: negative/imaginary core charge= -0.000005 0.000000
The potential is recalculated from file :
./Tl2C3O4.save/charge-density.dat
negative rho (up, down): 4.180E+01 0.000E+00
Starting wfc are 184 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 16.6 secs
Computing kpt #: 2
total cpu time spent up to now is 30.0 secs
Computing kpt #: 3
total cpu time spent up to now is 42.7 secs
Computing kpt #: 4
total cpu time spent up to now is 55.7 secs
Computing kpt #: 5
total cpu time spent up to now is 68.2 secs
Computing kpt #: 6
total cpu time spent up to now is 81.6 secs
Computing kpt #: 7
total cpu time spent up to now is 94.6 secs
Computing kpt #: 8
total cpu time spent up to now is 107.9 secs
Computing kpt #: 9
total cpu time spent up to now is 119.8 secs
Computing kpt #: 10
total cpu time spent up to now is 132.9 secs
Computing kpt #: 11
total cpu time spent up to now is 145.8 secs
Computing kpt #: 12
total cpu time spent up to now is 159.0 secs
Computing kpt #: 13
total cpu time spent up to now is 172.7 secs
Computing kpt #: 14
total cpu time spent up to now is 187.0 secs
Computing kpt #: 15
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 203.3 secs
Computing kpt #: 16
total cpu time spent up to now is 216.9 secs
Computing kpt #: 17
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 232.3 secs
Computing kpt #: 18
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 247.6 secs
Computing kpt #: 19
total cpu time spent up to now is 261.2 secs
Computing kpt #: 20
total cpu time spent up to now is 274.6 secs
Computing kpt #: 21
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 290.9 secs
Computing kpt #: 22
total cpu time spent up to now is 304.3 secs
Computing kpt #: 23
total cpu time spent up to now is 317.2 secs
Computing kpt #: 24
total cpu time spent up to now is 330.2 secs
Computing kpt #: 25
total cpu time spent up to now is 342.0 secs
Computing kpt #: 26
total cpu time spent up to now is 355.6 secs
Computing kpt #: 27
total cpu time spent up to now is 368.7 secs
Computing kpt #: 28
total cpu time spent up to now is 380.1 secs
Computing kpt #: 29
total cpu time spent up to now is 393.6 secs
Computing kpt #: 30
total cpu time spent up to now is 406.7 secs
Computing kpt #: 31
total cpu time spent up to now is 420.0 secs
Computing kpt #: 32
total cpu time spent up to now is 432.9 secs
Computing kpt #: 33
total cpu time spent up to now is 448.0 secs
Computing kpt #: 34
total cpu time spent up to now is 461.3 secs
Computing kpt #: 35
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 476.6 secs
Computing kpt #: 36
total cpu time spent up to now is 490.1 secs
Computing kpt #: 37
total cpu time spent up to now is 504.0 secs
Computing kpt #: 38
total cpu time spent up to now is 517.7 secs
Computing kpt #: 39
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 533.0 secs
Computing kpt #: 40
total cpu time spent up to now is 546.5 secs
Computing kpt #: 41
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 562.0 secs
Computing kpt #: 42
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 577.8 secs
Computing kpt #: 43
total cpu time spent up to now is 592.6 secs
Computing kpt #: 44
total cpu time spent up to now is 607.6 secs
Computing kpt #: 45
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 622.7 secs
Computing kpt #: 46
total cpu time spent up to now is 636.0 secs
Computing kpt #: 47
total cpu time spent up to now is 649.1 secs
Computing kpt #: 48
total cpu time spent up to now is 662.8 secs
Computing kpt #: 49
total cpu time spent up to now is 676.0 secs
Computing kpt #: 50
total cpu time spent up to now is 689.3 secs
Computing kpt #: 51
total cpu time spent up to now is 702.5 secs
Computing kpt #: 52
total cpu time spent up to now is 715.2 secs
Computing kpt #: 53
total cpu time spent up to now is 728.5 secs
Computing kpt #: 54
total cpu time spent up to now is 741.5 secs
Computing kpt #: 55
total cpu time spent up to now is 755.5 secs
Computing kpt #: 56
total cpu time spent up to now is 768.6 secs
Computing kpt #: 57
total cpu time spent up to now is 781.9 secs
Computing kpt #: 58
total cpu time spent up to now is 794.9 secs
Computing kpt #: 59
total cpu time spent up to now is 808.0 secs
Computing kpt #: 60
total cpu time spent up to now is 821.2 secs
Computing kpt #: 61
total cpu time spent up to now is 834.4 secs
Computing kpt #: 62
total cpu time spent up to now is 848.2 secs
Computing kpt #: 63
total cpu time spent up to now is 861.6 secs
Computing kpt #: 64
total cpu time spent up to now is 874.5 secs
Computing kpt #: 65
total cpu time spent up to now is 887.0 secs
Computing kpt #: 66
total cpu time spent up to now is 899.6 secs
Computing kpt #: 67
total cpu time spent up to now is 913.1 secs
Computing kpt #: 68
total cpu time spent up to now is 926.4 secs
Computing kpt #: 69
total cpu time spent up to now is 939.3 secs
Computing kpt #: 70
total cpu time spent up to now is 952.6 secs
Computing kpt #: 71
total cpu time spent up to now is 965.4 secs
Computing kpt #: 72
total cpu time spent up to now is 978.1 secs
Computing kpt #: 73
total cpu time spent up to now is 992.6 secs
Computing kpt #: 74
total cpu time spent up to now is 1005.6 secs
Computing kpt #: 75
total cpu time spent up to now is 1018.7 secs
Computing kpt #: 76
total cpu time spent up to now is 1032.6 secs
Computing kpt #: 77
total cpu time spent up to now is 1045.9 secs
Computing kpt #: 78
total cpu time spent up to now is 1058.9 secs
Computing kpt #: 79
total cpu time spent up to now is 1072.2 secs
Computing kpt #: 80
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1087.7 secs
Computing kpt #: 81
total cpu time spent up to now is 1101.2 secs
Computing kpt #: 82
total cpu time spent up to now is 1114.6 secs
Computing kpt #: 83
total cpu time spent up to now is 1128.3 secs
Computing kpt #: 84
total cpu time spent up to now is 1141.7 secs
Computing kpt #: 85
total cpu time spent up to now is 1155.1 secs
Computing kpt #: 86
total cpu time spent up to now is 1168.2 secs
Computing kpt #: 87
total cpu time spent up to now is 1180.6 secs
Computing kpt #: 88
total cpu time spent up to now is 1194.0 secs
Computing kpt #: 89
total cpu time spent up to now is 1206.8 secs
Computing kpt #: 90
total cpu time spent up to now is 1219.6 secs
Computing kpt #: 91
total cpu time spent up to now is 1232.0 secs
Computing kpt #: 92
total cpu time spent up to now is 1245.1 secs
Computing kpt #: 93
total cpu time spent up to now is 1258.2 secs
Computing kpt #: 94
total cpu time spent up to now is 1271.4 secs
Computing kpt #: 95
total cpu time spent up to now is 1284.9 secs
Computing kpt #: 96
total cpu time spent up to now is 1298.4 secs
Computing kpt #: 97
total cpu time spent up to now is 1311.6 secs
Computing kpt #: 98
total cpu time spent up to now is 1325.1 secs
Computing kpt #: 99
total cpu time spent up to now is 1338.3 secs
Computing kpt #: 100
total cpu time spent up to now is 1351.6 secs
Computing kpt #: 101
total cpu time spent up to now is 1364.5 secs
Computing kpt #: 102
total cpu time spent up to now is 1377.9 secs
Computing kpt #: 103
total cpu time spent up to now is 1391.7 secs
Computing kpt #: 104
total cpu time spent up to now is 1405.1 secs
Computing kpt #: 105
total cpu time spent up to now is 1418.1 secs
Computing kpt #: 106
total cpu time spent up to now is 1431.4 secs
Computing kpt #: 107
total cpu time spent up to now is 1444.8 secs
Computing kpt #: 108
total cpu time spent up to now is 1457.7 secs
Computing kpt #: 109
total cpu time spent up to now is 1471.1 secs
Computing kpt #: 110
total cpu time spent up to now is 1484.6 secs
Computing kpt #: 111
total cpu time spent up to now is 1497.9 secs
Computing kpt #: 112
total cpu time spent up to now is 1511.5 secs
Computing kpt #: 113
total cpu time spent up to now is 1524.7 secs
Computing kpt #: 114
total cpu time spent up to now is 1537.8 secs
Computing kpt #: 115
total cpu time spent up to now is 1551.4 secs
Computing kpt #: 116
total cpu time spent up to now is 1564.6 secs
Computing kpt #: 117
total cpu time spent up to now is 1576.1 secs
Computing kpt #: 118
total cpu time spent up to now is 1589.5 secs
Computing kpt #: 119
total cpu time spent up to now is 1603.3 secs
Computing kpt #: 120
total cpu time spent up to now is 1618.4 secs
Computing kpt #: 121
total cpu time spent up to now is 1632.4 secs
Computing kpt #: 122
total cpu time spent up to now is 1645.7 secs
Computing kpt #: 123
total cpu time spent up to now is 1658.3 secs
Computing kpt #: 124
total cpu time spent up to now is 1671.3 secs
Computing kpt #: 125
total cpu time spent up to now is 1684.1 secs
Computing kpt #: 126
total cpu time spent up to now is 1697.4 secs
Computing kpt #: 127
total cpu time spent up to now is 1710.4 secs
Computing kpt #: 128
total cpu time spent up to now is 1723.7 secs
Computing kpt #: 129
total cpu time spent up to now is 1736.6 secs
Computing kpt #: 130
total cpu time spent up to now is 1749.2 secs
Computing kpt #: 131
total cpu time spent up to now is 1761.9 secs
Computing kpt #: 132
total cpu time spent up to now is 1774.8 secs
Computing kpt #: 133
total cpu time spent up to now is 1787.6 secs
Computing kpt #: 134
total cpu time spent up to now is 1801.0 secs
Computing kpt #: 135
total cpu time spent up to now is 1814.4 secs
Computing kpt #: 136
total cpu time spent up to now is 1828.0 secs
Computing kpt #: 137
total cpu time spent up to now is 1840.8 secs
Computing kpt #: 138
total cpu time spent up to now is 1853.4 secs
Computing kpt #: 139
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1868.6 secs
Computing kpt #: 140
total cpu time spent up to now is 1881.7 secs
Computing kpt #: 141
total cpu time spent up to now is 1894.8 secs
Computing kpt #: 142
total cpu time spent up to now is 1909.5 secs
Computing kpt #: 143
total cpu time spent up to now is 1922.5 secs
Computing kpt #: 144
total cpu time spent up to now is 1935.8 secs
Computing kpt #: 145
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1951.2 secs
Computing kpt #: 146
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1966.4 secs
Computing kpt #: 147
total cpu time spent up to now is 1980.0 secs
Computing kpt #: 148
total cpu time spent up to now is 1997.2 secs
Computing kpt #: 149
total cpu time spent up to now is 2012.0 secs
Computing kpt #: 150
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 2027.9 secs
Computing kpt #: 151
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 2044.2 secs
Computing kpt #: 152
total cpu time spent up to now is 2057.8 secs
Computing kpt #: 153
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 2073.5 secs
Computing kpt #: 154
total cpu time spent up to now is 2086.9 secs
Computing kpt #: 155
total cpu time spent up to now is 2100.2 secs
Computing kpt #: 156
total cpu time spent up to now is 2113.7 secs
Computing kpt #: 157
total cpu time spent up to now is 2125.2 secs
Computing kpt #: 158
total cpu time spent up to now is 2136.3 secs
Computing kpt #: 159
total cpu time spent up to now is 2149.6 secs
Computing kpt #: 160
total cpu time spent up to now is 2163.0 secs
Computing kpt #: 161
total cpu time spent up to now is 2176.4 secs
Computing kpt #: 162
total cpu time spent up to now is 2189.9 secs
Computing kpt #: 163
total cpu time spent up to now is 2203.4 secs
Computing kpt #: 164
total cpu time spent up to now is 2216.5 secs
Computing kpt #: 165
total cpu time spent up to now is 2229.5 secs
Computing kpt #: 166
total cpu time spent up to now is 2241.1 secs
Computing kpt #: 167
total cpu time spent up to now is 2254.8 secs
Computing kpt #: 168
total cpu time spent up to now is 2268.4 secs
Computing kpt #: 169
total cpu time spent up to now is 2282.0 secs
Computing kpt #: 170
total cpu time spent up to now is 2294.5 secs
Computing kpt #: 171
total cpu time spent up to now is 2307.7 secs
Computing kpt #: 172
total cpu time spent up to now is 2320.7 secs
Computing kpt #: 173
total cpu time spent up to now is 2334.1 secs
Computing kpt #: 174
total cpu time spent up to now is 2347.5 secs
Computing kpt #: 175
total cpu time spent up to now is 2360.6 secs
Computing kpt #: 176
total cpu time spent up to now is 2374.1 secs
Computing kpt #: 177
total cpu time spent up to now is 2387.5 secs
Computing kpt #: 178
total cpu time spent up to now is 2400.8 secs
Computing kpt #: 179
total cpu time spent up to now is 2414.2 secs
Computing kpt #: 180
total cpu time spent up to now is 2427.7 secs
Computing kpt #: 181
total cpu time spent up to now is 2440.9 secs
Computing kpt #: 182
total cpu time spent up to now is 2454.7 secs
Computing kpt #: 183
total cpu time spent up to now is 2468.0 secs
Computing kpt #: 184
total cpu time spent up to now is 2481.3 secs
Computing kpt #: 185
total cpu time spent up to now is 2494.5 secs
Computing kpt #: 186
total cpu time spent up to now is 2508.3 secs
Computing kpt #: 187
total cpu time spent up to now is 2521.5 secs
Computing kpt #: 188
total cpu time spent up to now is 2535.1 secs
Computing kpt #: 189
total cpu time spent up to now is 2548.9 secs
Computing kpt #: 190
total cpu time spent up to now is 2562.5 secs
Computing kpt #: 191
total cpu time spent up to now is 2576.3 secs
Computing kpt #: 192
total cpu time spent up to now is 2590.5 secs
Computing kpt #: 193
total cpu time spent up to now is 2603.3 secs
Computing kpt #: 194
total cpu time spent up to now is 2616.5 secs
Computing kpt #: 195
total cpu time spent up to now is 2629.6 secs
Computing kpt #: 196
total cpu time spent up to now is 2642.7 secs
Computing kpt #: 197
total cpu time spent up to now is 2656.0 secs
Computing kpt #: 198
total cpu time spent up to now is 2669.3 secs
Computing kpt #: 199
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 2684.5 secs
Computing kpt #: 200
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 2700.1 secs
Computing kpt #: 201
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 2716.3 secs
Computing kpt #: 202
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 2732.7 secs
Computing kpt #: 203
total cpu time spent up to now is 2746.3 secs
Computing kpt #: 204
total cpu time spent up to now is 2759.4 secs
Computing kpt #: 205
total cpu time spent up to now is 2772.6 secs
Computing kpt #: 206
total cpu time spent up to now is 2786.1 secs
Computing kpt #: 207
total cpu time spent up to now is 2800.0 secs
Computing kpt #: 208
total cpu time spent up to now is 2813.5 secs
Computing kpt #: 209
total cpu time spent up to now is 2826.2 secs
Computing kpt #: 210
total cpu time spent up to now is 2838.8 secs
Computing kpt #: 211
total cpu time spent up to now is 2852.8 secs
Computing kpt #: 212
total cpu time spent up to now is 2865.3 secs
Computing kpt #: 213
total cpu time spent up to now is 2877.2 secs
Computing kpt #: 214
total cpu time spent up to now is 2890.9 secs
Computing kpt #: 215
total cpu time spent up to now is 2904.7 secs
Computing kpt #: 216
total cpu time spent up to now is 2916.9 secs
Computing kpt #: 217
total cpu time spent up to now is 2928.9 secs
Computing kpt #: 218
total cpu time spent up to now is 2941.0 secs
Computing kpt #: 219
total cpu time spent up to now is 2954.4 secs
Computing kpt #: 220
total cpu time spent up to now is 2967.7 secs
Computing kpt #: 221
total cpu time spent up to now is 2979.1 secs
Computing kpt #: 222
total cpu time spent up to now is 2991.9 secs
Computing kpt #: 223
total cpu time spent up to now is 3005.2 secs
Computing kpt #: 224
total cpu time spent up to now is 3017.0 secs
Computing kpt #: 225
total cpu time spent up to now is 3029.9 secs
Computing kpt #: 226
total cpu time spent up to now is 3042.7 secs
Computing kpt #: 227
total cpu time spent up to now is 3055.7 secs
Computing kpt #: 228
total cpu time spent up to now is 3068.8 secs
Computing kpt #: 229
total cpu time spent up to now is 3081.3 secs
Computing kpt #: 230
total cpu time spent up to now is 3094.0 secs
Computing kpt #: 231
total cpu time spent up to now is 3106.8 secs
Computing kpt #: 232
total cpu time spent up to now is 3121.0 secs
Computing kpt #: 233
total cpu time spent up to now is 3133.7 secs
Computing kpt #: 234
total cpu time spent up to now is 3146.8 secs
Computing kpt #: 235
total cpu time spent up to now is 3159.3 secs
Computing kpt #: 236
total cpu time spent up to now is 3172.1 secs
Computing kpt #: 237
total cpu time spent up to now is 3184.7 secs
Computing kpt #: 238
total cpu time spent up to now is 3197.8 secs
Computing kpt #: 239
total cpu time spent up to now is 3211.4 secs
ethr = 8.06E-09, avg # of iterations = 84.3
total cpu time spent up to now is 3211.4 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 10945 PWs) bands (ev):
************************************************************************
-123.5430-123.5430-121.5310-121.5310-121.4574-121.4574-110.6091-110.6091
-25.2001 -25.2001 -21.6371 -21.6371 -21.5456 -21.5456 -19.9219 -19.9219
-19.2480 -19.2480 -18.7920 -18.7920 -18.4515 -18.4515 -17.7549 -17.7549
-17.1926 -17.1926 -16.6708 -16.6708 -16.1888 -16.1888 -14.9984 -14.9984
-14.8418 -14.8418 -13.1295 -13.1295 -11.3277 -11.3277 -11.0414 -11.0414
-10.7042 -10.7042 -9.0328 -9.0328 -8.9692 -8.9692 -8.7123 -8.7123
-8.5173 -8.5173 -7.8400 -7.8400 -7.2688 -7.2688 -6.5706 -6.5706
-4.7689 -4.7689 -4.3876 -4.3876 -3.9629 -3.9629 -3.7143 -3.7143
-3.3939 -3.3939 -3.3509 -3.3509 -3.2267 -3.2267 -2.8019 -2.8019
-2.4756 -2.4756 -2.2221 -2.2221 -1.9632 -1.9632 -1.4880 -1.4880
-0.7412 -0.7412 -0.6268 -0.6268 0.1220 0.1220 0.2165 0.2165
0.5316 0.5316 0.5510 0.5510 0.6470 0.6470 0.8973 0.8973
1.3975 1.3975 1.4690 1.4690 1.7183 1.7183 1.7851 1.7851
2.1405 2.1405 2.9703 2.9703 3.1523 3.1523 3.4289 3.4289
4.1301 4.1301 5.0711 5.0711 5.6219 5.6219 5.7848 5.7848
5.9342 5.9342 6.2156 6.2156 6.4005 6.4005 6.8522 6.8522
7.3701 7.3701 7.5937 7.5937 7.6867 7.6867 8.0742 8.0742
8.2348 8.2348 8.4271 8.4271
k = 0.0192 0.0099-0.0063 ( 10948 PWs) bands (ev):
************************************************************************
-123.5442-123.5427-121.5330-121.5328-121.4593-121.4588-110.6096-110.6091
-25.2033 -25.2024 -21.6404 -21.6381 -21.5473 -21.5467 -19.9219 -19.9219
-19.2480 -19.2480 -18.7921 -18.7921 -18.4538 -18.4525 -17.7550 -17.7549
-17.1927 -17.1926 -16.6708 -16.6708 -16.1888 -16.1888 -14.9987 -14.9986
-14.8418 -14.8417 -13.1304 -13.1294 -11.3278 -11.3276 -11.0436 -11.0435
-10.7050 -10.7046 -9.0345 -9.0340 -8.9696 -8.9688 -8.7139 -8.7118
-8.5181 -8.5166 -7.8408 -7.8391 -7.2704 -7.2675 -6.5713 -6.5698
-4.7693 -4.7686 -4.3880 -4.3872 -3.9636 -3.9626 -3.7146 -3.7139
-3.3949 -3.3927 -3.3522 -3.3495 -3.2281 -3.2252 -2.8025 -2.8016
-2.4761 -2.4756 -2.2225 -2.2215 -1.9641 -1.9627 -1.4886 -1.4875
-0.7421 -0.7402 -0.6279 -0.6257 0.1194 0.1246 0.2139 0.2199
0.5302 0.5328 0.5498 0.5522 0.6461 0.6478 0.8971 0.8975
1.3954 1.3991 1.4663 1.4714 1.7177 1.7186 1.7845 1.7856
2.1386 2.1426 2.9665 2.9738 3.1476 3.1568 3.4255 3.4322
4.1291 4.1309 5.0631 5.0796 5.6194 5.6238 5.7756 5.7919
5.9289 5.9410 6.2056 6.2262 6.3987 6.4040 6.8361 6.8676
7.3546 7.3859 7.5856 7.6015 7.6836 7.6897 8.0694 8.0789
8.2297 8.2399 8.4262 8.4279
k = 0.0385 0.0198-0.0126 ( 10962 PWs) bands (ev):
************************************************************************
-123.5476-123.5448-121.5369-121.5365-121.4647-121.4640-110.6125-110.6119
-25.2120 -25.2105 -21.6489 -21.6444 -21.5555 -21.5553 -19.9219 -19.9218
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0.5289 0.5339 0.5487 0.5534 0.6451 0.6485 0.8969 0.8977
1.3929 1.4001 1.4635 1.4735 1.7166 1.7184 1.7838 1.7860
2.1369 2.1449 2.9624 2.9769 3.1428 3.1611 3.4218 3.4352
4.1274 4.1309 5.0557 5.0885 5.6161 5.6250 5.7649 5.7967
5.9248 5.9490 6.1963 6.2372 6.3984 6.4090 6.8201 6.8820
7.3396 7.4015 7.5768 7.6083 7.6797 7.6917 8.0644 8.0831
8.2239 8.2441 8.4248 8.4281
k = 0.0577 0.0296-0.0189 ( 10957 PWs) bands (ev):
************************************************************************
-123.5456-123.5447-121.5360-121.5357-121.4631-121.4621-110.6105-110.6099
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0.5274 0.5349 0.5478 0.5546 0.6442 0.6491 0.8968 0.8978
1.3901 1.4008 1.4607 1.4752 1.7152 1.7179 1.7832 1.7862
2.1356 2.1473 2.9592 2.9806 3.1385 3.1656 3.4192 3.4391
4.1269 4.1320 5.0497 5.0984 5.6127 5.6261 5.7538 5.7993
5.9236 5.9596 6.1891 6.2488 6.4005 6.4159 6.8053 6.8953
7.3270 7.4175 7.5692 7.6156 7.6769 7.6943 8.0600 8.0881
8.2191 8.2490 8.4243 8.4294
k = 0.0769 0.0395-0.0252 ( 10951 PWs) bands (ev):
************************************************************************
-123.5443-123.5431-121.5364-121.5346-121.4605-121.4586-110.6086-110.6082
-25.2055 -25.2019 -21.6403 -21.6382 -21.5500 -21.5466 -19.9218 -19.9217
-19.2480 -19.2480 -18.7921 -18.7920 -18.4546 -18.4531 -17.7551 -17.7550
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-8.5205 -8.5145 -7.8427 -7.8362 -7.2740 -7.2656 -6.5726 -6.5671
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0.5260 0.5357 0.5472 0.5558 0.6433 0.6497 0.8966 0.8980
1.3868 1.4008 1.4580 1.4765 1.7134 1.7170 1.7826 1.7865
2.1347 2.1499 2.9561 2.9843 3.1343 3.1699 3.4173 3.4431
4.1259 4.1325 5.0448 5.1088 5.6090 5.6266 5.7426 5.7999
5.9233 5.9711 6.1832 6.2609 6.4045 6.4243 6.7920 6.9069
7.3164 7.4322 7.5626 7.6219 7.6745 7.6967 8.0558 8.0937
8.2150 8.2541 8.4240 8.4309
k = 0.0962 0.0494-0.0315 ( 10964 PWs) bands (ev):
************************************************************************
-123.5482-123.5463-121.5399-121.5382-121.4645-121.4629-110.6111-110.6108
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-19.2480 -19.2480 -18.7921 -18.7920 -18.4600 -18.4587 -17.7553 -17.7551
-17.1928 -17.1925 -16.6707 -16.6707 -16.1890 -16.1889 -15.0027 -15.0021
-14.8422 -14.8418 -13.1356 -13.1317 -11.3278 -11.3265 -11.0507 -11.0504
-10.7123 -10.7108 -9.0415 -9.0387 -8.9754 -8.9717 -8.7229 -8.7126
-8.5214 -8.5141 -7.8431 -7.8355 -7.2781 -7.2681 -6.5728 -6.5662
-4.7714 -4.7681 -4.3891 -4.3847 -3.9691 -3.9642 -3.7150 -3.7113
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-2.4821 -2.4791 -2.2228 -2.2181 -1.9702 -1.9638 -1.4919 -1.4867
-0.7435 -0.7351 -0.6306 -0.6210 0.1098 0.1340 0.2127 0.2379
0.5244 0.5363 0.5467 0.5568 0.6425 0.6502 0.8964 0.8980
1.3832 1.4002 1.4555 1.4774 1.7109 1.7157 1.7822 1.7866
2.1341 2.1526 2.9525 2.9871 3.1300 3.1736 3.4147 3.4463
4.1241 4.1321 5.0401 5.1189 5.6045 5.6261 5.7312 5.7983
5.9232 5.9825 6.1781 6.2725 6.4098 6.4331 6.7791 6.9157
7.3075 7.4443 7.5560 7.6262 7.6721 7.6978 8.0511 8.0986
8.2101 8.2580 8.4222 8.4315
k = 0.1154 0.0593-0.0378 ( 10960 PWs) bands (ev):
************************************************************************
-123.5464-123.5448-121.5392-121.5384-121.4635-121.4617-110.6113-110.6103
-25.2104 -25.2066 -21.6447 -21.6423 -21.5541 -21.5529 -19.9217 -19.9216
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-8.5222 -8.5135 -7.8432 -7.8347 -7.2780 -7.2666 -6.5727 -6.5651
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-0.7431 -0.7336 -0.6308 -0.6197 0.1080 0.1362 0.2149 0.2427
0.5229 0.5365 0.5466 0.5579 0.6419 0.6507 0.8961 0.8980
1.3792 1.3990 1.4534 1.4778 1.7080 1.7143 1.7819 1.7867
2.1338 2.1553 2.9496 2.9897 3.1263 3.1773 3.4132 3.4499
4.1230 4.1323 5.0371 5.1298 5.5998 5.6252 5.7207 5.7955
5.9246 5.9945 6.1755 6.2842 6.4174 6.4437 6.7688 6.9224
7.3018 7.4543 7.5522 7.6299 7.6720 7.7000 8.0473 8.1045
8.2061 8.2624 8.4217 8.4339
k = 0.1346 0.0692-0.0441 ( 10966 PWs) bands (ev):
************************************************************************
-123.5462-123.5452-121.5425-121.5423-121.4673-121.4655-110.6122-110.6118
-25.2146 -25.2120 -21.6464 -21.6448 -21.5578 -21.5561 -19.9217 -19.9216
-19.2480 -19.2480 -18.7920 -18.7919 -18.4599 -18.4592 -17.7554 -17.7553
-17.1928 -17.1925 -16.6707 -16.6707 -16.1891 -16.1890 -15.0043 -15.0035
-14.8424 -14.8418 -13.1364 -13.1331 -11.3274 -11.3258 -11.0528 -11.0523
-10.7127 -10.7107 -9.0438 -9.0394 -8.9770 -8.9719 -8.7258 -8.7114
-8.5230 -8.5131 -7.8431 -7.8341 -7.2793 -7.2669 -6.5725 -6.5642
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-2.4870 -2.4826 -2.2219 -2.2160 -1.9745 -1.9662 -1.4943 -1.4872
-0.7428 -0.7323 -0.6309 -0.6187 0.1064 0.1383 0.2180 0.2473
0.5214 0.5362 0.5468 0.5590 0.6414 0.6513 0.8957 0.8978
1.3748 1.3972 1.4516 1.4779 1.7044 1.7127 1.7818 1.7867
2.1339 2.1578 2.9463 2.9919 3.1228 3.1805 3.4116 3.4533
4.1212 4.1316 5.0347 5.1404 5.5945 5.6235 5.7110 5.7915
5.9264 6.0051 6.1746 6.2947 6.4263 6.4547 6.7601 6.9257
7.2986 7.4601 7.5503 7.6309 7.6733 7.7019 8.0434 8.1098
8.2020 8.2660 8.4203 8.4364
k = 0.1538 0.0790-0.0504 ( 10972 PWs) bands (ev):
************************************************************************
-123.5490-123.5482-121.5435-121.5433-121.4677-121.4662-110.6140-110.6128
-25.2180 -25.2162 -21.6499 -21.6488 -21.5599 -21.5589 -19.9216 -19.9215
-19.2480 -19.2480 -18.7920 -18.7920 -18.4628 -18.4624 -17.7556 -17.7554
-17.1928 -17.1925 -16.6707 -16.6707 -16.1892 -16.1891 -15.0053 -15.0046
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-10.7152 -10.7131 -9.0462 -9.0411 -8.9792 -8.9734 -8.7292 -8.7133
-8.5238 -8.5130 -7.8429 -7.8337 -7.2797 -7.2666 -6.5721 -6.5632
-4.7732 -4.7686 -4.3886 -4.3821 -3.9765 -3.9689 -3.7138 -3.7084
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-2.4897 -2.4845 -2.2212 -2.2149 -1.9769 -1.9677 -1.4958 -1.4879
-0.7422 -0.7309 -0.6307 -0.6177 0.1052 0.1405 0.2216 0.2516
0.5198 0.5355 0.5473 0.5603 0.6412 0.6518 0.8952 0.8975
1.3701 1.3949 1.4500 1.4776 1.7002 1.7110 1.7819 1.7868
2.1343 2.1603 2.9434 2.9936 3.1197 3.1833 3.4103 3.4562
4.1197 4.1309 5.0330 5.1505 5.5888 5.6212 5.7023 5.7867
5.9289 6.0147 6.1758 6.3043 6.4365 6.4666 6.7533 6.9261
7.2983 7.4623 7.5508 7.6299 7.6762 7.7043 8.0398 8.1151
8.1976 8.2687 8.4188 8.4399
k = 0.1731 0.0889-0.0567 ( 10966 PWs) bands (ev):
************************************************************************
-123.5478-123.5464-121.5407-121.5398-121.4664-121.4644-110.6135-110.6115
-25.2146 -25.2118 -21.6467 -21.6441 -21.5553 -21.5536 -19.9215 -19.9214
-19.2480 -19.2479 -18.7919 -18.7919 -18.4608 -18.4587 -17.7556 -17.7554
-17.1928 -17.1925 -16.6707 -16.6706 -16.1893 -16.1892 -15.0030 -15.0022
-14.8423 -14.8416 -13.1357 -13.1324 -11.3269 -11.3250 -11.0531 -11.0524
-10.7137 -10.7114 -9.0449 -9.0382 -8.9795 -8.9737 -8.7285 -8.7122
-8.5246 -8.5127 -7.8424 -7.8333 -7.2784 -7.2649 -6.5714 -6.5621
-4.7738 -4.7689 -4.3881 -4.3810 -3.9795 -3.9711 -3.7131 -3.7073
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-2.4924 -2.4865 -2.2205 -2.2138 -1.9793 -1.9695 -1.4975 -1.4887
-0.7410 -0.7293 -0.6301 -0.6166 0.1044 0.1429 0.2257 0.2556
0.5181 0.5344 0.5483 0.5619 0.6413 0.6525 0.8946 0.8972
1.3651 1.3924 1.4486 1.4770 1.6957 1.7091 1.7822 1.7871
2.1350 2.1626 2.9414 2.9954 3.1176 3.1859 3.4106 3.4598
4.1190 4.1310 5.0331 5.1607 5.5829 5.6186 5.6950 5.7815
5.9325 6.0227 6.1798 6.3131 6.4479 6.4798 6.7492 6.9245
7.3005 7.4619 7.5531 7.6284 7.6798 7.7084 8.0370 8.1209
8.1940 8.2716 8.4178 8.4448
k = 0.1923 0.0988-0.0630 ( 10968 PWs) bands (ev):
************************************************************************
-123.5469-123.5456-121.5407-121.5395-121.4657-121.4632-110.6143-110.6125
-25.2163 -25.2129 -21.6472 -21.6445 -21.5569 -21.5555 -19.9214 -19.9213
-19.2480 -19.2479 -18.7919 -18.7918 -18.4615 -18.4598 -17.7558 -17.7556
-17.1929 -17.1925 -16.6706 -16.6706 -16.1893 -16.1892 -15.0040 -15.0031
-14.8424 -14.8416 -13.1367 -13.1329 -11.3266 -11.3246 -11.0542 -11.0538
-10.7143 -10.7119 -9.0452 -9.0395 -8.9804 -8.9745 -8.7294 -8.7121
-8.5254 -8.5125 -7.8420 -7.8332 -7.2787 -7.2654 -6.5708 -6.5612
-4.7744 -4.7693 -4.3874 -4.3798 -3.9828 -3.9737 -3.7122 -3.7062
-3.3980 -3.3725 -3.3515 -3.3327 -3.2302 -3.2100 -2.8184 -2.8109
-2.4951 -2.4884 -2.2196 -2.2127 -1.9818 -1.9715 -1.4993 -1.4899
-0.7398 -0.7278 -0.6294 -0.6158 0.1039 0.1455 0.2300 0.2590
0.5161 0.5328 0.5496 0.5638 0.6417 0.6532 0.8937 0.8966
1.3600 1.3896 1.4472 1.4760 1.6908 1.7071 1.7828 1.7875
2.1359 2.1646 2.9389 2.9959 3.1159 3.1879 3.4106 3.4623
4.1174 4.1299 5.0338 5.1701 5.5764 5.6154 5.6889 5.7759
5.9362 6.0279 6.1861 6.3205 6.4595 6.4937 6.7469 6.9202
7.3043 7.4590 7.5556 7.6256 7.6824 7.7136 8.0342 8.1259
8.1903 8.2738 8.4165 8.4504
k = 0.2115 0.1087-0.0692 ( 10982 PWs) bands (ev):
************************************************************************
-123.5496-123.5493-121.5445-121.5436-121.4714-121.4705-110.6166-110.6157
-25.2238 -25.2228 -21.6533 -21.6527 -21.5666 -21.5657 -19.9213 -19.9212
-19.2480 -19.2479 -18.7919 -18.7918 -18.4673 -18.4670 -17.7560 -17.7558
-17.1929 -17.1925 -16.6706 -16.6706 -16.1894 -16.1893 -15.0091 -15.0082
-14.8427 -14.8418 -13.1410 -13.1390 -11.3262 -11.3242 -11.0588 -11.0584
-10.7183 -10.7156 -9.0489 -9.0439 -8.9838 -8.9784 -8.7343 -8.7155
-8.5262 -8.5129 -7.8416 -7.8334 -7.2817 -7.2686 -6.5702 -6.5606
-4.7750 -4.7698 -4.3866 -4.3785 -3.9864 -3.9767 -3.7113 -3.7050
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-2.4977 -2.4904 -2.2187 -2.2117 -1.9843 -1.9736 -1.5014 -1.4912
-0.7388 -0.7265 -0.6286 -0.6151 0.1038 0.1483 0.2341 0.2620
0.5140 0.5307 0.5514 0.5661 0.6425 0.6540 0.8926 0.8958
1.3547 1.3869 1.4456 1.4747 1.6857 1.7048 1.7835 1.7881
2.1370 2.1663 2.9362 2.9957 3.1144 3.1890 3.4111 3.4645
4.1158 4.1285 5.0352 5.1783 5.5695 5.6116 5.6835 5.7700
5.9398 6.0301 6.1945 6.3264 6.4710 6.5082 6.7460 6.9138
7.3087 7.4542 7.5572 7.6217 7.6840 7.7197 8.0315 8.1303
8.1861 8.2743 8.4149 8.4569
k = 0.2308 0.1186-0.0755 ( 10977 PWs) bands (ev):
************************************************************************
-123.5485-123.5483-121.5453-121.5434-121.4673-121.4664-110.6162-110.6155
-25.2198 -25.2192 -21.6504 -21.6497 -21.5629 -21.5612 -19.9212 -19.9211
-19.2480 -19.2479 -18.7918 -18.7917 -18.4643 -18.4640 -17.7561 -17.7559
-17.1929 -17.1925 -16.6706 -16.6706 -16.1895 -16.1894 -15.0079 -15.0070
-14.8427 -14.8418 -13.1390 -13.1372 -11.3259 -11.3238 -11.0565 -11.0560
-10.7172 -10.7145 -9.0466 -9.0434 -8.9837 -8.9772 -8.7328 -8.7136
-8.5268 -8.5129 -7.8410 -7.8334 -7.2796 -7.2671 -6.5692 -6.5597
-4.7755 -4.7703 -4.3856 -4.3771 -3.9902 -3.9800 -3.7101 -3.7037
-3.3972 -3.3680 -3.3483 -3.3287 -3.2287 -3.2081 -2.8230 -2.8153
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-0.7373 -0.7248 -0.6274 -0.6143 0.1044 0.1515 0.2378 0.2647
0.5116 0.5281 0.5539 0.5690 0.6436 0.6549 0.8913 0.8949
1.3495 1.3842 1.4438 1.4732 1.6807 1.7023 1.7844 1.7890
2.1384 2.1678 2.9345 2.9955 3.1142 3.1904 3.4127 3.4669
4.1147 4.1276 5.0383 5.1862 5.5634 5.6080 5.6798 5.7643
5.9446 6.0311 6.2052 6.3319 6.4830 6.5241 6.7478 6.9071
7.3144 7.4500 7.5595 7.6196 7.6859 7.7280 8.0305 8.1350
8.1831 8.2758 8.4150 8.4653
k = 0.2500 0.1285-0.0818 ( 10965 PWs) bands (ev):
************************************************************************
-123.5461-123.5454-121.5409-121.5383-121.4650-121.4639-110.6132-110.6121
-25.2135 -25.2122 -21.6440 -21.6432 -21.5550 -21.5534 -19.9211 -19.9210
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-17.1929 -17.1925 -16.6706 -16.6706 -16.1896 -16.1894 -15.0037 -15.0028
-14.8424 -14.8415 -13.1360 -13.1334 -11.3254 -11.3234 -11.0528 -11.0523
-10.7134 -10.7106 -9.0433 -9.0401 -8.9812 -8.9745 -8.7301 -8.7110
-8.5273 -8.5129 -7.8403 -7.8335 -7.2760 -7.2640 -6.5681 -6.5587
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0.5090 0.5252 0.5569 0.5723 0.6450 0.6560 0.8897 0.8938
1.3445 1.3816 1.4416 1.4714 1.6761 1.6998 1.7857 1.7900
2.1399 2.1690 2.9335 2.9951 3.1148 3.1911 3.4157 3.4699
4.1150 4.1278 5.0423 5.1930 5.5574 5.6043 5.6773 5.7586
5.9497 6.0302 6.2174 6.3368 6.4948 6.5404 6.7512 6.9000
7.3199 7.4459 7.5616 7.6174 7.6877 7.7367 8.0299 8.1388
8.1804 8.2764 8.4159 8.4750
k = 0.2692 0.1383-0.0881 ( 10969 PWs) bands (ev):
************************************************************************
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0.5062 0.5219 0.5604 0.5760 0.6466 0.6570 0.8880 0.8924
1.3398 1.3790 1.4389 1.4692 1.6718 1.6970 1.7869 1.7912
2.1414 2.1697 2.9321 2.9933 3.1155 3.1907 3.4178 3.4714
4.1139 4.1265 5.0466 5.1981 5.5515 5.6001 5.6753 5.7529
5.9542 6.0275 6.2303 6.3407 6.5059 6.5563 6.7553 6.8917
7.3244 7.4411 7.5631 7.6145 7.6889 7.7447 8.0299 8.1410
8.1773 8.2760 8.4171 8.4848
k = 0.2885 0.1482-0.0944 ( 10970 PWs) bands (ev):
************************************************************************
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0.5034 0.5184 0.5645 0.5801 0.6485 0.6581 0.8860 0.8909
1.3354 1.3766 1.4357 1.4668 1.6682 1.6942 1.7884 1.7925
2.1430 2.1701 2.9311 2.9911 3.1169 3.1899 3.4207 3.4729
4.1132 4.1254 5.0521 5.2017 5.5461 5.5956 5.6745 5.7475
5.9588 6.0240 6.2434 6.3443 6.5170 6.5718 6.7606 6.8839
7.3276 7.4363 7.5647 7.6124 7.6907 7.7520 8.0306 8.1416
8.1750 8.2750 8.4196 8.4955
k = 0.3077 0.1581-0.1007 ( 10973 PWs) bands (ev):
************************************************************************
-123.5487-123.5478-121.5466-121.5425-121.4687-121.4669-110.6147-110.6129
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0.5005 0.5147 0.5690 0.5844 0.6504 0.6592 0.8839 0.8891
1.3316 1.3743 1.4322 1.4640 1.6652 1.6914 1.7900 1.7939
2.1446 2.1701 2.9306 2.9882 3.1191 3.1886 3.4240 3.4737
4.1129 4.1244 5.0584 5.2040 5.5412 5.5909 5.6743 5.7426
5.9630 6.0196 6.2566 6.3479 6.5277 6.5862 6.7668 6.8767
7.3300 7.4312 7.5665 7.6099 7.6928 7.7580 8.0322 8.1406
8.1736 8.2729 8.4231 8.5059
k = 0.3269 0.1680-0.1070 ( 10969 PWs) bands (ev):
************************************************************************
-123.5481-123.5472-121.5468-121.5435-121.4681-121.4669-110.6136-110.6117
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0.4977 0.5111 0.5739 0.5889 0.6526 0.6603 0.8817 0.8872
1.3284 1.3719 1.4284 1.4608 1.6630 1.6886 1.7917 1.7954
2.1462 2.1699 2.9310 2.9851 3.1221 3.1873 3.4278 3.4749
4.1129 4.1237 5.0656 5.2046 5.5374 5.5861 5.6751 5.7380
5.9670 6.0155 6.2697 6.3513 6.5386 6.5994 6.7738 6.8709
7.3315 7.4258 7.5695 7.6079 7.6955 7.7633 8.0350 8.1380
8.1738 8.2706 8.4280 8.5158
k = 0.3462 0.1779-0.1133 ( 10967 PWs) bands (ev):
************************************************************************
-123.5483-123.5459-121.5459-121.5430-121.4686-121.4678-110.6132-110.6106
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0.4951 0.5075 0.5789 0.5935 0.6547 0.6614 0.8794 0.8852
1.3260 1.3694 1.4246 1.4573 1.6615 1.6858 1.7934 1.7968
2.1478 2.1694 2.9315 2.9818 3.1252 3.1852 3.4320 3.4754
4.1131 4.1231 5.0733 5.2037 5.5343 5.5810 5.6766 5.7336
5.9706 6.0110 6.2819 6.3543 6.5492 6.6107 6.7810 6.8659
7.3321 7.4197 7.5731 7.6065 7.6985 7.7664 8.0383 8.1336
8.1750 8.2671 8.4339 8.5238
k = 0.3654 0.1877-0.1196 ( 10971 PWs) bands (ev):
************************************************************************
-123.5483-123.5457-121.5492-121.5463-121.4727-121.4720-110.6137-110.6119
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0.4928 0.5040 0.5841 0.5979 0.6567 0.6623 0.8773 0.8831
1.3242 1.3666 1.4213 1.4535 1.6607 1.6832 1.7951 1.7982
2.1494 2.1687 2.9321 2.9778 3.1287 3.1828 3.4359 3.4752
4.1128 4.1218 5.0817 5.2011 5.5320 5.5756 5.6785 5.7296
5.9735 6.0064 6.2933 6.3570 6.5594 6.6196 6.7884 6.8620
7.3320 7.4126 7.5768 7.6051 7.7021 7.7674 8.0420 8.1284
8.1772 8.2627 8.4404 8.5286
k = 0.3846 0.1976-0.1259 ( 10964 PWs) bands (ev):
************************************************************************
-123.5472-123.5458-121.5474-121.5438-121.4675-121.4661-110.6128-110.6113
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0.4908 0.5008 0.5893 0.6019 0.6586 0.6632 0.8753 0.8809
1.3234 1.3634 1.4187 1.4495 1.6605 1.6807 1.7967 1.7996
2.1510 2.1677 2.9337 2.9742 3.1327 3.1801 3.4405 3.4748
4.1129 4.1208 5.0911 5.1976 5.5309 5.5704 5.6812 5.7258
5.9766 6.0028 6.3043 6.3592 6.5694 6.6265 6.7961 6.8591
7.3323 7.4053 7.5816 7.6049 7.7067 7.7678 8.0463 8.1226
8.1805 8.2579 8.4477 8.5310
k = 0.4038 0.2075-0.1322 ( 10962 PWs) bands (ev):
************************************************************************
-123.5471-123.5465-121.5476-121.5439-121.4676-121.4664-110.6119-110.6107
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0.4892 0.4978 0.5943 0.6055 0.6603 0.6640 0.8736 0.8788
1.3234 1.3595 1.4170 1.4452 1.6609 1.6783 1.7983 1.8007
2.1524 2.1666 2.9355 2.9702 3.1365 3.1770 3.4449 3.4741
4.1132 4.1199 5.1006 5.1923 5.5307 5.5651 5.6842 5.7221
5.9786 5.9990 6.3141 6.3606 6.5791 6.6308 6.8036 6.8569
7.3331 7.3969 7.5859 7.6045 7.7115 7.7663 8.0511 8.1160
8.1844 8.2519 8.4559 8.5293
k = 0.4231 0.2174-0.1385 ( 10962 PWs) bands (ev):
************************************************************************
-123.5478-123.5461-121.5459-121.5436-121.4669-121.4657-110.6117-110.6106
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0.4881 0.4952 0.5990 0.6084 0.6618 0.6646 0.8722 0.8767
1.3243 1.3551 1.4164 1.4407 1.6617 1.6760 1.7996 1.8016
2.1539 2.1653 2.9376 2.9661 3.1407 3.1735 3.4489 3.4726
4.1134 4.1189 5.1106 5.1858 5.5311 5.5596 5.6877 5.7185
5.9804 5.9957 6.3232 6.3610 6.5884 6.6325 6.8113 6.8550
7.3345 7.3877 7.5895 7.6039 7.7171 7.7635 8.0562 8.1087
8.1890 8.2449 8.4641 8.5253
k = 0.4423 0.2273-0.1448 ( 10947 PWs) bands (ev):
************************************************************************
-123.5423-123.5414-121.5439-121.5415-121.4639-121.4626-110.6080-110.6068
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0.4875 0.4929 0.6032 0.6105 0.6630 0.6650 0.8712 0.8749
1.3261 1.3504 1.4170 1.4363 1.6629 1.6738 1.8008 1.8023
2.1554 2.1640 2.9407 2.9623 3.1454 3.1704 3.4533 3.4718
4.1147 4.1189 5.1210 5.1789 5.5328 5.5549 5.6916 5.7151
5.9824 5.9935 6.3320 6.3606 6.5977 6.6325 6.8196 6.8531
7.3380 7.3790 7.5935 7.6041 7.7236 7.7604 8.0625 8.1023
8.1948 8.2385 8.4734 8.5206
k = 0.4615 0.2371-0.1511 ( 10947 PWs) bands (ev):
************************************************************************
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0.4872 0.4910 0.6067 0.6117 0.6639 0.6652 0.8707 0.8733
1.3287 1.3455 1.4186 1.4320 1.6644 1.6717 1.8017 1.8027
2.1568 2.1626 2.9437 2.9583 3.1498 3.1666 3.4569 3.4694
4.1149 4.1178 5.1312 5.1704 5.5350 5.5500 5.6956 5.7114
5.9837 5.9911 6.3394 6.3586 6.6060 6.6301 6.8272 6.8501
7.3421 7.3701 7.5963 7.6034 7.7300 7.7555 8.0685 8.0951
8.2010 8.2307 8.4821 8.5135
k = 0.4808 0.2470-0.1574 ( 10943 PWs) bands (ev):
************************************************************************
-123.5424-123.5416-121.5394-121.5389-121.4600-121.4589-110.6064-110.6061
-25.2025 -25.2020 -21.6288 -21.6275 -21.5385 -21.5370 -19.9201 -19.9201
-19.2477 -19.2477 -18.7912 -18.7911 -18.4460 -18.4457 -17.7568 -17.7568
-17.1927 -17.1927 -16.6704 -16.6704 -16.1902 -16.1902 -14.9974 -14.9971
-14.8416 -14.8415 -13.1297 -13.1289 -11.3212 -11.3210 -11.0476 -11.0475
-10.7095 -10.7089 -9.0409 -9.0389 -8.9753 -8.9724 -8.7169 -8.7146
-8.5250 -8.5229 -7.8381 -7.8376 -7.2573 -7.2558 -6.5570 -6.5560
-4.7776 -4.7771 -4.3645 -4.3630 -4.0280 -4.0264 -3.6937 -3.6929
-3.3702 -3.3658 -3.3242 -3.3222 -3.2162 -3.2142 -2.8435 -2.8429
-2.4986 -2.4973 -2.2089 -2.2082 -2.0052 -2.0039 -1.5231 -1.5213
-0.7173 -0.7157 -0.6102 -0.6091 0.1562 0.1677 0.2476 0.2574
0.4875 0.4894 0.6094 0.6119 0.6646 0.6653 0.8706 0.8720
1.3321 1.3407 1.4211 1.4280 1.6661 1.6698 1.8024 1.8029
2.1583 2.1612 2.9471 2.9544 3.1542 3.1626 3.4607 3.4669
4.1155 4.1169 5.1416 5.1613 5.5379 5.5455 5.6996 5.7075
5.9853 5.9890 6.3459 6.3556 6.6137 6.6260 6.8343 6.8459
7.3476 7.3617 7.5990 7.6025 7.7366 7.7496 8.0747 8.0881
8.2078 8.2229 8.4904 8.5065
k = 0.5000 0.2569-0.1637 ( 10944 PWs) bands (ev):
************************************************************************
-123.5421-123.5421-121.5414-121.5414-121.4607-121.4607-110.6049-110.6049
-25.2030 -25.2030 -21.6288 -21.6288 -21.5406 -21.5406 -19.9201 -19.9201
-19.2477 -19.2477 -18.7911 -18.7911 -18.4451 -18.4451 -17.7568 -17.7568
-17.1927 -17.1927 -16.6704 -16.6704 -16.1902 -16.1902 -14.9983 -14.9983
-14.8416 -14.8416 -13.1302 -13.1302 -11.3211 -11.3211 -11.0481 -11.0481
-10.7098 -10.7098 -9.0397 -9.0397 -8.9740 -8.9740 -8.7155 -8.7155
-8.5239 -8.5239 -7.8379 -7.8379 -7.2573 -7.2573 -6.5565 -6.5565
-4.7774 -4.7774 -4.3636 -4.3636 -4.0275 -4.0275 -3.6932 -3.6932
-3.3678 -3.3678 -3.3231 -3.3231 -3.2152 -3.2152 -2.8434 -2.8434
-2.4979 -2.4979 -2.2086 -2.2086 -2.0047 -2.0047 -1.5224 -1.5224
-0.7164 -0.7164 -0.6095 -0.6095 0.1621 0.1621 0.2524 0.2524
0.4882 0.4882 0.6112 0.6112 0.6650 0.6650 0.8711 0.8711
1.3361 1.3361 1.4242 1.4242 1.6678 1.6678 1.8028 1.8028
2.1597 2.1597 2.9506 2.9506 3.1585 3.1585 3.4640 3.4640
4.1162 4.1162 5.1516 5.1516 5.5412 5.5412 5.7035 5.7035
5.9867 5.9867 6.3511 6.3511 6.6204 6.6204 6.8406 6.8406
7.3541 7.3541 7.6009 7.6009 7.7430 7.7430 8.0811 8.0811
8.2150 8.2150 8.4985 8.4985
k = 0.5000 0.2569-0.1637 ( 10944 PWs) bands (ev):
************************************************************************
-123.5421-123.5421-121.5414-121.5414-121.4607-121.4607-110.6049-110.6049
-25.2030 -25.2030 -21.6288 -21.6288 -21.5406 -21.5406 -19.9201 -19.9201
-19.2477 -19.2477 -18.7911 -18.7911 -18.4451 -18.4451 -17.7568 -17.7568
-17.1927 -17.1927 -16.6704 -16.6704 -16.1902 -16.1902 -14.9983 -14.9983
-14.8416 -14.8416 -13.1302 -13.1302 -11.3211 -11.3211 -11.0481 -11.0481
-10.7098 -10.7098 -9.0397 -9.0397 -8.9740 -8.9740 -8.7155 -8.7155
-8.5239 -8.5239 -7.8379 -7.8379 -7.2573 -7.2573 -6.5565 -6.5565
-4.7774 -4.7774 -4.3636 -4.3636 -4.0275 -4.0275 -3.6932 -3.6932
-3.3678 -3.3678 -3.3231 -3.3231 -3.2152 -3.2152 -2.8434 -2.8434
-2.4979 -2.4979 -2.2086 -2.2086 -2.0047 -2.0047 -1.5224 -1.5224
-0.7164 -0.7164 -0.6095 -0.6095 0.1621 0.1621 0.2524 0.2524
0.4882 0.4882 0.6112 0.6112 0.6650 0.6650 0.8711 0.8711
1.3361 1.3361 1.4242 1.4242 1.6678 1.6678 1.8028 1.8028
2.1597 2.1597 2.9506 2.9506 3.1585 3.1585 3.4640 3.4640
4.1162 4.1162 5.1516 5.1516 5.5412 5.5412 5.7035 5.7035
5.9867 5.9867 6.3511 6.3511 6.6204 6.6204 6.8406 6.8406
7.3541 7.3541 7.6009 7.6009 7.7430 7.7430 8.0811 8.0811
8.2150 8.2150 8.4985 8.4985
k = 0.5055 0.2597-0.1426 ( 10946 PWs) bands (ev):
************************************************************************
-123.5426-123.5423-121.5407-121.5401-121.4610-121.4606-110.6069-110.6063
-25.2038 -25.2035 -21.6298 -21.6295 -21.5412 -21.5409 -19.9201 -19.9201
-19.2477 -19.2477 -18.7912 -18.7911 -18.4473 -18.4461 -17.7568 -17.7568
-17.1927 -17.1927 -16.6704 -16.6703 -16.1902 -16.1902 -14.9984 -14.9981
-14.8417 -14.8415 -13.1303 -13.1300 -11.3212 -11.3210 -11.0482 -11.0480
-10.7103 -10.7101 -9.0405 -9.0393 -8.9757 -8.9740 -8.7171 -8.7156
-8.5249 -8.5229 -7.8381 -7.8378 -7.2583 -7.2572 -6.5566 -6.5564
-4.7776 -4.7771 -4.3641 -4.3632 -4.0290 -4.0258 -3.6936 -3.6927
-3.3696 -3.3661 -3.3244 -3.3220 -3.2155 -3.2149 -2.8437 -2.8431
-2.4981 -2.4976 -2.2085 -2.2083 -2.0056 -2.0042 -1.5230 -1.5220
-0.7168 -0.7161 -0.6099 -0.6092 0.1578 0.1666 0.2481 0.2570
0.4877 0.4888 0.6097 0.6115 0.6645 0.6660 0.8707 0.8711
1.3346 1.3378 1.4222 1.4263 1.6676 1.6683 1.8025 1.8030
2.1578 2.1617 2.9489 2.9522 3.1555 3.1615 3.4633 3.4647
4.1157 4.1167 5.1478 5.1563 5.5369 5.5451 5.6978 5.7095
5.9764 5.9963 6.3461 6.3561 6.6147 6.6247 6.8357 6.8452
7.3493 7.3597 7.5965 7.6055 7.7356 7.7515 8.0755 8.0866
8.2094 8.2206 8.4883 8.5082
k = 0.5109 0.2625-0.1215 ( 10943 PWs) bands (ev):
************************************************************************
-123.5422-123.5415-121.5389-121.5374-121.4596-121.4593-110.6072-110.6067
-25.2022 -25.2011 -21.6294 -21.6280 -21.5384 -21.5372 -19.9201 -19.9201
-19.2477 -19.2477 -18.7912 -18.7911 -18.4458 -18.4454 -17.7568 -17.7568
-17.1927 -17.1927 -16.6704 -16.6703 -16.1902 -16.1901 -14.9976 -14.9972
-14.8417 -14.8413 -13.1301 -13.1292 -11.3213 -11.3210 -11.0463 -11.0461
-10.7097 -10.7094 -9.0401 -9.0370 -8.9769 -8.9731 -8.7183 -8.7153
-8.5258 -8.5218 -7.8381 -7.8376 -7.2569 -7.2561 -6.5566 -6.5562
-4.7779 -4.7769 -4.3646 -4.3628 -4.0303 -4.0240 -3.6938 -3.6919
-3.3714 -3.3645 -3.3257 -3.3209 -3.2156 -3.2144 -2.8442 -2.8428
-2.4983 -2.4974 -2.2082 -2.2079 -2.0070 -2.0042 -1.5237 -1.5217
-0.7170 -0.7157 -0.6103 -0.6088 0.1539 0.1714 0.2440 0.2617
0.4873 0.4893 0.6072 0.6107 0.6643 0.6673 0.8701 0.8707
1.3332 1.3397 1.4204 1.4286 1.6678 1.6691 1.8021 1.8032
2.1560 2.1637 2.9471 2.9538 3.1522 3.1644 3.4630 3.4660
4.1155 4.1176 5.1453 5.1621 5.5322 5.5486 5.6922 5.7156
5.9654 6.0050 6.3411 6.3609 6.6079 6.6280 6.8309 6.8496
7.3456 7.3663 7.5925 7.6103 7.7300 7.7620 8.0704 8.0922
8.2036 8.2257 8.4781 8.5175
k = 0.5164 0.2653-0.1004 ( 10951 PWs) bands (ev):
************************************************************************
-123.5442-123.5426-121.5406-121.5392-121.4619-121.4599-110.6102-110.6097
-25.2056 -25.2041 -21.6332 -21.6318 -21.5429 -21.5420 -19.9201 -19.9201
-19.2478 -19.2477 -18.7912 -18.7912 -18.4497 -18.4490 -17.7569 -17.7569
-17.1928 -17.1927 -16.6704 -16.6703 -16.1902 -16.1901 -15.0002 -14.9997
-14.8418 -14.8414 -13.1322 -13.1309 -11.3214 -11.3210 -11.0481 -11.0477
-10.7120 -10.7118 -9.0424 -9.0387 -8.9796 -8.9750 -8.7221 -8.7161
-8.5267 -8.5208 -7.8385 -7.8375 -7.2597 -7.2580 -6.5568 -6.5561
-4.7781 -4.7767 -4.3653 -4.3626 -4.0313 -4.0219 -3.6938 -3.6910
-3.3733 -3.3631 -3.3271 -3.3200 -3.2156 -3.2138 -2.8447 -2.8427
-2.4985 -2.4971 -2.2077 -2.2072 -2.0089 -2.0047 -1.5246 -1.5217
-0.7173 -0.7152 -0.6108 -0.6085 0.1504 0.1763 0.2402 0.2664
0.4869 0.4898 0.6036 0.6087 0.6645 0.6688 0.8690 0.8700
1.3321 1.3416 1.4188 1.4309 1.6681 1.6700 1.8016 1.8032
2.1543 2.1656 2.9451 2.9548 3.1492 3.1670 3.4621 3.4665
4.1151 4.1181 5.1436 5.1683 5.5267 5.5512 5.6869 5.7215
5.9532 6.0125 6.3360 6.3654 6.6000 6.6297 6.8260 6.8538
7.3424 7.3735 7.5877 7.6148 7.7250 7.7738 8.0658 8.0970
8.1974 8.2303 8.4669 8.5255
k = 0.5219 0.2681-0.0793 ( 10955 PWs) bands (ev):
************************************************************************
-123.5442-123.5427-121.5433-121.5412-121.4628-121.4609-110.6105-110.6093
-25.2076 -25.2059 -21.6360 -21.6334 -21.5477 -21.5471 -19.9201 -19.9201
-19.2478 -19.2478 -18.7912 -18.7912 -18.4513 -18.4493 -17.7569 -17.7569
-17.1928 -17.1927 -16.6704 -16.6703 -16.1902 -16.1901 -15.0014 -15.0007
-14.8419 -14.8413 -13.1330 -13.1315 -11.3216 -11.3211 -11.0501 -11.0496
-10.7132 -10.7127 -9.0441 -9.0393 -8.9805 -8.9752 -8.7229 -8.7158
-8.5272 -8.5195 -7.8387 -7.8375 -7.2620 -7.2592 -6.5569 -6.5560
-4.7783 -4.7764 -4.3660 -4.3625 -4.0320 -4.0197 -3.6935 -3.6899
-3.3752 -3.3618 -3.3284 -3.3191 -3.2155 -3.2132 -2.8452 -2.8426
-2.4986 -2.4968 -2.2070 -2.2062 -2.0111 -2.0057 -1.5257 -1.5218
-0.7176 -0.7148 -0.6112 -0.6081 0.1472 0.1812 0.2369 0.2713
0.4865 0.4903 0.5992 0.6058 0.6650 0.6706 0.8677 0.8691
1.3312 1.3436 1.4174 1.4333 1.6687 1.6712 1.8011 1.8031
2.1527 2.1675 2.9432 2.9558 3.1462 3.1696 3.4616 3.4675
4.1152 4.1190 5.1430 5.1756 5.5205 5.5535 5.6821 5.7273
5.9402 6.0184 6.3309 6.3696 6.5912 6.6302 6.8215 6.8576
7.3402 7.3816 7.5833 7.6194 7.7212 7.7868 8.0614 8.1006
8.1911 8.2343 8.4558 8.5336
k = 0.5273 0.2710-0.0581 ( 10957 PWs) bands (ev):
************************************************************************
-123.5464-123.5426-121.5427-121.5416-121.4643-121.4599-110.6116-110.6089
-25.2092 -25.2043 -21.6387 -21.6327 -21.5511 -21.5470 -19.9201 -19.9201
-19.2478 -19.2478 -18.7912 -18.7912 -18.4534 -18.4491 -17.7569 -17.7569
-17.1929 -17.1928 -16.6704 -16.6702 -16.1902 -16.1901 -15.0019 -15.0008
-14.8421 -14.8412 -13.1345 -13.1305 -11.3218 -11.3212 -11.0506 -11.0497
-10.7144 -10.7132 -9.0457 -9.0379 -8.9827 -8.9753 -8.7258 -8.7143
-8.5276 -8.5183 -7.8389 -7.8375 -7.2642 -7.2587 -6.5570 -6.5559
-4.7785 -4.7762 -4.3667 -4.3624 -4.0325 -4.0175 -3.6930 -3.6887
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-2.4987 -2.4965 -2.2059 -2.2051 -2.0138 -2.0072 -1.5269 -1.5221
-0.7177 -0.7143 -0.6116 -0.6078 0.1444 0.1857 0.2343 0.2762
0.4861 0.4908 0.5941 0.6020 0.6656 0.6725 0.8661 0.8679
1.3306 1.3457 1.4163 1.4356 1.6696 1.6727 1.8004 1.8029
2.1513 2.1693 2.9415 2.9567 3.1434 3.1719 3.4616 3.4689
4.1159 4.1203 5.1436 5.1836 5.5141 5.5554 5.6780 5.7328
5.9271 6.0235 6.3262 6.3737 6.5818 6.6295 6.8171 6.8616
7.3392 7.3907 7.5790 7.6243 7.7186 7.8016 8.0581 8.1030
8.1853 8.2380 8.4450 8.5411
k = 0.5328 0.2738-0.0370 ( 10956 PWs) bands (ev):
************************************************************************
-123.5451-123.5427-121.5420-121.5407-121.4635-121.4605-110.6116-110.6095
-25.2068 -25.2037 -21.6364 -21.6323 -21.5500 -21.5477 -19.9201 -19.9201
-19.2478 -19.2478 -18.7912 -18.7911 -18.4528 -18.4495 -17.7570 -17.7569
-17.1929 -17.1928 -16.6704 -16.6702 -16.1902 -16.1901 -15.0019 -15.0006
-14.8421 -14.8410 -13.1335 -13.1309 -11.3220 -11.3212 -11.0498 -11.0488
-10.7136 -10.7126 -9.0447 -9.0362 -8.9836 -8.9758 -8.7258 -8.7142
-8.5278 -8.5170 -7.8392 -7.8373 -7.2646 -7.2597 -6.5571 -6.5557
-4.7787 -4.7759 -4.3675 -4.3624 -4.0327 -4.0151 -3.6923 -3.6873
-3.3791 -3.3601 -3.3308 -3.3178 -3.2149 -3.2115 -2.8462 -2.8427
-2.4988 -2.4962 -2.2047 -2.2037 -2.0167 -2.0091 -1.5281 -1.5225
-0.7178 -0.7138 -0.6120 -0.6074 0.1420 0.1896 0.2329 0.2812
0.4858 0.4912 0.5884 0.5975 0.6664 0.6743 0.8643 0.8665
1.3303 1.3477 1.4155 1.4379 1.6708 1.6744 1.7997 1.8027
2.1500 2.1710 2.9397 2.9576 3.1407 3.1743 3.4615 3.4704
4.1171 4.1222 5.1454 5.1921 5.5072 5.5569 5.6745 5.7379
5.9144 6.0273 6.3216 6.3777 6.5715 6.6274 6.8134 6.8651
7.3390 7.4006 7.5750 7.6292 7.7170 7.8175 8.0555 8.1038
8.1807 8.2421 8.4347 8.5480
k = 0.5383 0.2766-0.0159 ( 10957 PWs) bands (ev):
************************************************************************
-123.5448-123.5428-121.5430-121.5409-121.4631-121.4612-110.6120-110.6100
-25.2074 -25.2055 -21.6353 -21.6318 -21.5499 -21.5491 -19.9202 -19.9201
-19.2478 -19.2478 -18.7912 -18.7911 -18.4536 -18.4507 -17.7570 -17.7569
-17.1930 -17.1928 -16.6703 -16.6701 -16.1901 -16.1901 -15.0024 -15.0011
-14.8421 -14.8410 -13.1332 -13.1316 -11.3222 -11.3214 -11.0507 -11.0496
-10.7134 -10.7124 -9.0444 -9.0361 -8.9848 -8.9767 -8.7262 -8.7137
-8.5278 -8.5157 -7.8394 -7.8372 -7.2654 -7.2604 -6.5571 -6.5556
-4.7789 -4.7757 -4.3684 -4.3625 -4.0325 -4.0128 -3.6913 -3.6859
-3.3811 -3.3599 -3.3317 -3.3173 -3.2144 -3.2105 -2.8467 -2.8428
-2.4988 -2.4958 -2.2033 -2.2022 -2.0199 -2.0114 -1.5295 -1.5231
-0.7178 -0.7135 -0.6125 -0.6071 0.1399 0.1922 0.2331 0.2862
0.4855 0.4914 0.5821 0.5924 0.6671 0.6762 0.8623 0.8650
1.3302 1.3497 1.4149 1.4401 1.6723 1.6764 1.7988 1.8023
2.1490 2.1725 2.9377 2.9579 3.1380 3.1762 3.4609 3.4715
4.1180 4.1238 5.1482 5.2010 5.4999 5.5580 5.6716 5.7424
5.9017 6.0296 6.3174 6.3814 6.5606 6.6243 6.8100 6.8686
7.3396 7.4110 7.5707 7.6338 7.7164 7.8336 8.0535 8.1032
8.1771 8.2457 8.4252 8.5542
k = 0.5437 0.2794 0.0052 ( 10951 PWs) bands (ev):
************************************************************************
-123.5428-123.5409-121.5421-121.5398-121.4619-121.4605-110.6097-110.6074
-25.2034 -25.2021 -21.6316 -21.6285 -21.5475 -21.5470 -19.9202 -19.9201
-19.2478 -19.2478 -18.7912 -18.7911 -18.4513 -18.4480 -17.7569 -17.7569
-17.1930 -17.1928 -16.6703 -16.6701 -16.1901 -16.1900 -15.0010 -14.9996
-14.8420 -14.8407 -13.1316 -13.1304 -11.3224 -11.3215 -11.0497 -11.0486
-10.7113 -10.7104 -9.0435 -9.0344 -8.9824 -8.9741 -8.7248 -8.7116
-8.5275 -8.5141 -7.8397 -7.8370 -7.2647 -7.2591 -6.5570 -6.5553
-4.7790 -4.7755 -4.3693 -4.3626 -4.0321 -4.0103 -3.6901 -3.6843
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-2.4988 -2.4955 -2.2017 -2.2006 -2.0233 -2.0140 -1.5309 -1.5238
-0.7176 -0.7130 -0.6128 -0.6068 0.1383 0.1933 0.2352 0.2913
0.4852 0.4915 0.5755 0.5868 0.6679 0.6779 0.8602 0.8635
1.3304 1.3515 1.4147 1.4422 1.6740 1.6785 1.7980 1.8019
2.1481 2.1739 2.9363 2.9585 3.1357 3.1780 3.4614 3.4735
4.1198 4.1259 5.1520 5.2103 5.4924 5.5587 5.6695 5.7463
5.8896 6.0307 6.3137 6.3851 6.5494 6.6202 6.8071 6.8720
7.3414 7.4220 7.5668 7.6382 7.7172 7.8497 8.0521 8.1017
8.1746 8.2495 8.4163 8.5593
k = 0.5492 0.2822 0.0263 ( 10949 PWs) bands (ev):
************************************************************************
-123.5412-123.5390-121.5434-121.5410-121.4630-121.4615-110.6092-110.6065
-25.2032 -25.2014 -21.6302 -21.6266 -21.5489 -21.5471 -19.9202 -19.9201
-19.2478 -19.2478 -18.7911 -18.7911 -18.4510 -18.4467 -17.7569 -17.7568
-17.1930 -17.1929 -16.6703 -16.6701 -16.1901 -16.1900 -15.0017 -15.0002
-14.8420 -14.8406 -13.1321 -13.1305 -11.3227 -11.3216 -11.0491 -11.0480
-10.7096 -10.7086 -9.0430 -9.0331 -8.9813 -8.9724 -8.7239 -8.7103
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8.1733 8.2532 8.4087 8.5631
k = 0.5547 0.2850 0.0474 ( 10956 PWs) bands (ev):
************************************************************************
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8.1726 8.2563 8.4011 8.5646
k = 0.5601 0.2878 0.0685 ( 10960 PWs) bands (ev):
************************************************************************
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8.1727 8.2590 8.3949 8.5635
k = 0.5656 0.2906 0.0896 ( 10970 PWs) bands (ev):
************************************************************************
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8.1733 8.2612 8.3896 8.5580
k = 0.5711 0.2934 0.1107 ( 10965 PWs) bands (ev):
************************************************************************
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8.1765 8.2637 8.3864 8.5504
k = 0.5765 0.2962 0.1318 ( 10967 PWs) bands (ev):
************************************************************************
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8.1807 8.2657 8.3847 8.5397
k = 0.5820 0.2990 0.1529 ( 10977 PWs) bands (ev):
************************************************************************
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8.1861 8.2668 8.3842 8.5275
k = 0.5875 0.3018 0.1740 ( 10978 PWs) bands (ev):
************************************************************************
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8.1936 8.2673 8.3852 8.5153
k = 0.5929 0.3047 0.1951 ( 10968 PWs) bands (ev):
************************************************************************
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7.3860 7.4924 7.5466 7.6481 7.7504 7.8484 8.0624 8.1335
8.2013 8.2676 8.3885 8.5036
k = 0.5929 0.3047 0.1951 ( 10968 PWs) bands (ev):
************************************************************************
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1.3437 1.3622 1.4216 1.4503 1.6959 1.7011 1.7869 1.7938
2.1500 2.1748 2.9267 2.9551 3.1236 3.1807 3.4615 3.4862
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7.3860 7.4924 7.5466 7.6481 7.7504 7.8484 8.0624 8.1335
8.2013 8.2676 8.3885 8.5035
k = 0.5826 0.2993 0.2133 ( 10974 PWs) bands (ev):
************************************************************************
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8.2035 8.2628 8.3912 8.4905
k = 0.5723 0.2940 0.2315 ( 10979 PWs) bands (ev):
************************************************************************
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7.4025 7.4939 7.5586 7.6475 7.7573 7.8258 8.0658 8.1282
8.2063 8.2578 8.3939 8.4779
k = 0.5619 0.2887 0.2497 ( 10977 PWs) bands (ev):
************************************************************************
-123.5474-123.5463-121.5473-121.5462-121.4678-121.4664-110.6165-110.6158
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0.4579 0.4719 0.5147 0.5257 0.6766 0.6864 0.8389 0.8466
1.3619 1.3715 1.4158 1.4345 1.6976 1.7021 1.7862 1.7913
2.1527 2.1711 2.9304 2.9493 3.1315 3.1711 3.4706 3.4873
4.1370 4.1395 5.2169 5.2632 5.4463 5.5160 5.6768 5.7363
5.8585 5.9640 6.3111 6.3868 6.4673 6.5526 6.8172 6.8955
7.4116 7.4928 7.5668 7.6463 7.7604 7.8157 8.0692 8.1255
8.2094 8.2532 8.3972 8.4666
k = 0.5516 0.2834 0.2679 ( 10975 PWs) bands (ev):
************************************************************************
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0.4545 0.4684 0.5135 0.5239 0.6785 0.6869 0.8373 0.8441
1.3670 1.3755 1.4136 1.4299 1.6980 1.7019 1.7862 1.7905
2.1539 2.1696 2.9321 2.9479 3.1348 3.1681 3.4740 3.4881
4.1387 4.1407 5.2200 5.2601 5.4494 5.5095 5.6793 5.7309
5.8657 5.9563 6.3170 6.3827 6.4729 6.5471 6.8244 6.8919
7.4205 7.4904 7.5754 7.6440 7.7626 7.8065 8.0733 8.1223
8.2121 8.2489 8.4005 8.4559
k = 0.5413 0.2781 0.2861 ( 10977 PWs) bands (ev):
************************************************************************
-123.5471-123.5463-121.5458-121.5444-121.4674-121.4668-110.6166-110.6159
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0.4520 0.4650 0.5127 0.5220 0.6803 0.6872 0.8362 0.8418
1.3712 1.3798 1.4113 1.4258 1.6983 1.7015 1.7862 1.7898
2.1553 2.1681 2.9336 2.9463 3.1380 3.1650 3.4766 3.4881
4.1395 4.1411 5.2231 5.2564 5.4532 5.5027 5.6825 5.7252
5.8738 5.9484 6.3232 6.3771 6.4801 6.5410 6.8317 6.8869
7.4293 7.4865 7.5842 7.6408 7.7648 7.7983 8.0780 8.1186
8.2146 8.2441 8.4041 8.4468
k = 0.5310 0.2728 0.3042 ( 10988 PWs) bands (ev):
************************************************************************
-123.5501-123.5491-121.5496-121.5490-121.4717-121.4706-110.6187-110.6178
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0.4506 0.4616 0.5124 0.5201 0.6819 0.6872 0.8354 0.8398
1.3749 1.3836 1.4093 1.4220 1.6985 1.7011 1.7864 1.7890
2.1566 2.1664 2.9349 2.9445 3.1409 3.1613 3.4786 3.4871
4.1400 4.1412 5.2264 5.2520 5.4573 5.4954 5.6861 5.7190
5.8824 5.9394 6.3294 6.3706 6.4875 6.5343 6.8390 6.8811
7.4377 7.4813 7.5925 7.6361 7.7667 7.7909 8.0831 8.1144
8.2173 8.2393 8.4074 8.4383
k = 0.5206 0.2675 0.3224 ( 11008 PWs) bands (ev):
************************************************************************
-123.5545-123.5534-121.5558-121.5546-121.4765-121.4759-110.6244-110.6241
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0.4503 0.4583 0.5126 0.5181 0.6833 0.6869 0.8351 0.8381
1.3783 1.3858 1.4084 1.4183 1.6988 1.7005 1.7865 1.7883
2.1581 2.1647 2.9357 2.9421 3.1436 3.1572 3.4797 3.4854
4.1391 4.1399 5.2298 5.2472 5.4619 5.4872 5.6905 5.7126
5.8915 5.9299 6.3358 6.3635 6.4952 6.5267 6.8454 6.8740
7.4458 7.4751 7.6005 7.6298 7.7682 7.7841 8.0883 8.1096
8.2195 8.2344 8.4104 8.4307
k = 0.5103 0.2622 0.3406 ( 11015 PWs) bands (ev):
************************************************************************
-123.5558-123.5547-121.5574-121.5569-121.4799-121.4795-110.6264-110.6261
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0.4511 0.4554 0.5134 0.5163 0.6846 0.6864 0.8352 0.8367
1.3815 1.3860 1.4093 1.4149 1.6991 1.7000 1.7868 1.7877
2.1596 2.1629 2.9370 2.9402 3.1466 3.1535 3.4811 3.4840
4.1390 4.1394 5.2337 5.2425 5.4673 5.4800 5.6953 5.7065
5.9010 5.9203 6.3425 6.3564 6.5032 6.5190 6.8525 6.8670
7.4535 7.4684 7.6083 7.6233 7.7706 7.7784 8.0937 8.1045
8.2225 8.2300 8.4143 8.4241
k = 0.5000 0.2569 0.3588 ( 11020 PWs) bands (ev):
************************************************************************
-123.5575-123.5575-121.5555-121.5555-121.4801-121.4801-110.6282-110.6282
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0.4529 0.4529 0.5147 0.5147 0.6856 0.6856 0.8358 0.8358
1.3843 1.3843 1.4117 1.4117 1.6995 1.6995 1.7872 1.7872
2.1612 2.1612 2.9384 2.9384 3.1498 3.1498 3.4824 3.4824
4.1390 4.1390 5.2379 5.2379 5.4734 5.4734 5.7007 5.7007
5.9107 5.9107 6.3493 6.3493 6.5110 6.5110 6.8596 6.8596
7.4610 7.4610 7.6159 7.6159 7.7741 7.7741 8.0989 8.0989
8.2258 8.2258 8.4187 8.4187
k = 0.5000 0.2569 0.3588 ( 11020 PWs) bands (ev):
************************************************************************
-123.5575-123.5575-121.5555-121.5555-121.4801-121.4801-110.6282-110.6282
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0.4529 0.4529 0.5147 0.5147 0.6856 0.6856 0.8358 0.8358
1.3843 1.3843 1.4117 1.4117 1.6995 1.6995 1.7872 1.7872
2.1612 2.1612 2.9384 2.9384 3.1498 3.1498 3.4824 3.4824
4.1390 4.1390 5.2379 5.2379 5.4734 5.4734 5.7007 5.7007
5.9107 5.9107 6.3493 6.3493 6.5110 6.5110 6.8596 6.8596
7.4610 7.4610 7.6159 7.6159 7.7741 7.7741 8.0989 8.0989
8.2258 8.2258 8.4187 8.4187
k = 0.5102 0.2371 0.3588 ( 11016 PWs) bands (ev):
************************************************************************
-123.5554-123.5548-121.5567-121.5555-121.4795-121.4788-110.6272-110.6266
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0.4523 0.4536 0.5126 0.5172 0.6845 0.6860 0.8344 0.8374
1.3827 1.3865 1.4100 1.4151 1.6987 1.7005 1.7863 1.7880
2.1605 2.1621 2.9322 2.9447 3.1439 3.1562 3.4801 3.4845
4.1357 4.1418 5.2322 5.2453 5.4671 5.4796 5.6914 5.7105
5.9011 5.9213 6.3413 6.3570 6.5031 6.5185 6.8555 6.8641
7.4582 7.4644 7.6143 7.6177 7.7652 7.7839 8.0953 8.1019
8.2230 8.2299 8.4141 8.4240
k = 0.5204 0.2172 0.3588 ( 11004 PWs) bands (ev):
************************************************************************
-123.5515-123.5502-121.5545-121.5535-121.4780-121.4775-110.6248-110.6236
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0.4518 0.4545 0.5109 0.5199 0.6828 0.6858 0.8333 0.8393
1.3817 1.3894 1.4099 1.4204 1.6981 1.7017 1.7853 1.7886
2.1600 2.1630 2.9263 2.9511 3.1381 3.1626 3.4781 3.4867
4.1325 4.1447 5.2282 5.2543 5.4613 5.4859 5.6829 5.7205
5.8930 5.9331 6.3327 6.3641 6.4944 6.5252 6.8518 6.8688
7.4563 7.4687 7.6127 7.6197 7.7574 7.7948 8.0912 8.1040
8.2209 8.2347 8.4100 8.4295
k = 0.5306 0.1974 0.3588 ( 11004 PWs) bands (ev):
************************************************************************
-123.5533-123.5529-121.5541-121.5532-121.4774-121.4766-110.6235-110.6230
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0.4513 0.4554 0.5096 0.5228 0.6805 0.6850 0.8325 0.8414
1.3812 1.3925 1.4115 1.4276 1.6976 1.7028 1.7842 1.7889
2.1594 2.1638 2.9201 2.9571 3.1318 3.1685 3.4752 3.4878
4.1282 4.1461 5.2254 5.2641 5.4552 5.4915 5.6749 5.7302
5.8862 5.9455 6.3232 6.3699 6.4850 6.5305 6.8478 6.8725
7.4543 7.4724 7.6105 7.6209 7.7500 7.8057 8.0861 8.1045
8.2191 8.2396 8.4057 8.4345
k = 0.5408 0.1775 0.3588 ( 11002 PWs) bands (ev):
************************************************************************
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8.2181 8.2450 8.4020 8.4398
k = 0.5510 0.1577 0.3588 ( 10998 PWs) bands (ev):
************************************************************************
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8.2176 8.2507 8.3985 8.4450
k = 0.5612 0.1378 0.3588 ( 10988 PWs) bands (ev):
************************************************************************
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8.2183 8.2575 8.3958 8.4507
k = 0.5714 0.1180 0.3588 ( 10988 PWs) bands (ev):
************************************************************************
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8.2190 8.2642 8.3934 8.4560
k = 0.5816 0.0981 0.3588 ( 10988 PWs) bands (ev):
************************************************************************
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8.2198 8.2713 8.3914 8.4606
k = 0.5918 0.0783 0.3588 ( 10990 PWs) bands (ev):
************************************************************************
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8.2207 8.2791 8.3899 8.4649
k = 0.6020 0.0585 0.3588 ( 10984 PWs) bands (ev):
************************************************************************
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1.3801 1.4070 1.4771 1.5198 1.6968 1.7060 1.7852 1.7880
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7.4491 7.4971 7.5910 7.6178 7.7178 7.8790 8.0458 8.0872
8.2223 8.2882 8.3893 8.4695
k = 0.6122 0.0386 0.3588 ( 10980 PWs) bands (ev):
************************************************************************
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8.2239 8.2980 8.3893 8.4729
k = 0.6224 0.0188 0.3588 ( 10992 PWs) bands (ev):
************************************************************************
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4.0797 4.1240 5.2588 5.3575 5.4388 5.5228 5.6454 5.7545
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7.4459 7.4999 7.5823 7.6125 7.7142 7.8907 8.0333 8.0864
8.2249 8.3081 8.3889 8.4753
k = 0.6326-0.0011 0.3588 ( 10992 PWs) bands (ev):
************************************************************************
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1.3804 1.4109 1.5191 1.5660 1.6902 1.7082 1.7848 1.7986
2.1576 2.1712 2.8677 2.9893 3.0952 3.2088 3.4407 3.4781
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7.4433 7.5004 7.5774 7.6096 7.7135 7.8941 8.0275 8.0881
8.2271 8.3198 8.3894 8.4775
k = 0.6428-0.0209 0.3588 ( 10992 PWs) bands (ev):
************************************************************************
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7.4394 7.5009 7.5722 7.6072 7.7132 7.8958 8.0221 8.0905
8.2295 8.3318 8.3901 8.4787
k = 0.6529-0.0408 0.3588 ( 10996 PWs) bands (ev):
************************************************************************
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k = 0.6631-0.0606 0.3588 ( 11004 PWs) bands (ev):
************************************************************************
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************************************************************************
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************************************************************************
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************************************************************************
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************************************************************************
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************************************************************************
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************************************************************************
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************************************************************************
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k = 0.2655-0.5166 0.5225 ( 10974 PWs) bands (ev):
************************************************************************
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k = 0.2552-0.4968 0.5225 ( 10964 PWs) bands (ev):
************************************************************************
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k = 0.2450-0.4769 0.5225 ( 10962 PWs) bands (ev):
************************************************************************
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k = 0.2348-0.4570 0.5225 ( 10968 PWs) bands (ev):
************************************************************************
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************************************************************************
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k = 0.2144-0.4173 0.5225 ( 10968 PWs) bands (ev):
************************************************************************
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k = 0.2042-0.3974 0.5225 ( 10960 PWs) bands (ev):
************************************************************************
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k = 0.1940-0.3775 0.5225 ( 10954 PWs) bands (ev):
************************************************************************
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k = 0.1838-0.3577 0.5225 ( 10950 PWs) bands (ev):
************************************************************************
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************************************************************************
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k = 0.1634-0.3179 0.5225 ( 10948 PWs) bands (ev):
************************************************************************
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k = 0.1531-0.2981 0.5225 ( 10954 PWs) bands (ev):
************************************************************************
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k = 0.1429-0.2782 0.5225 ( 10954 PWs) bands (ev):
************************************************************************
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k = 0.1327-0.2583 0.5225 ( 10946 PWs) bands (ev):
************************************************************************
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k = 0.1225-0.2384 0.5225 ( 10938 PWs) bands (ev):
************************************************************************
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k = 0.1123-0.2186 0.5225 ( 10942 PWs) bands (ev):
************************************************************************
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8.2527 8.3527 8.4410 8.4890
k = 0.1021-0.1987 0.5225 ( 10952 PWs) bands (ev):
************************************************************************
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8.2378 8.3408 8.4411 8.4845
k = 0.0919-0.1788 0.5225 ( 10946 PWs) bands (ev):
************************************************************************
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7.4711 7.5236 7.5885 7.6579 7.7213 7.8296 7.9695 8.1536
8.2251 8.3288 8.4423 8.4809
k = 0.0817-0.1590 0.5225 ( 10948 PWs) bands (ev):
************************************************************************
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7.4805 7.5286 7.5915 7.6565 7.7232 7.8204 7.9739 8.1501
8.2152 8.3163 8.4430 8.4774
k = 0.0715-0.1391 0.5225 ( 10934 PWs) bands (ev):
************************************************************************
-123.5389-123.5371-121.5336-121.5322-121.4566-121.4555-110.6068-110.6038
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7.4901 7.5335 7.5956 7.6553 7.7259 7.8115 7.9799 8.1428
8.2102 8.3048 8.4445 8.4746
k = 0.0613-0.1192 0.5225 ( 10936 PWs) bands (ev):
************************************************************************
-123.5413-123.5394-121.5324-121.5307-121.4579-121.4567-110.6074-110.6045
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7.4987 7.5369 7.5992 7.6525 7.7285 7.8022 7.9865 8.1311
8.2087 8.2927 8.4455 8.4715
k = 0.0510-0.0994 0.5225 ( 10940 PWs) bands (ev):
************************************************************************
-123.5408-123.5399-121.5334-121.5332-121.4588-121.4584-110.6074-110.6058
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1.3466 1.3526 1.5342 1.5529 1.7167 1.7240 1.7657 1.7795
2.1402 2.1555 2.9338 2.9731 3.1101 3.1856 3.4164 3.4394
4.1114 4.1386 5.2130 5.2682 5.5955 5.6365 5.7490 5.7677
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7.5064 7.5394 7.6027 7.6491 7.7315 7.7930 7.9940 8.1174
8.2101 8.2813 8.4463 8.4682
k = 0.0408-0.0795 0.5225 ( 10946 PWs) bands (ev):
************************************************************************
-123.5431-123.5424-121.5343-121.5334-121.4597-121.4592-110.6083-110.6072
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1.3412 1.3464 1.5346 1.5495 1.7175 1.7233 1.7666 1.7777
2.1412 2.1537 2.9376 2.9702 3.1166 3.1788 3.4184 3.4372
4.1168 4.1391 5.2133 5.2584 5.6000 5.6340 5.7523 5.7659
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7.5134 7.5406 7.6064 7.6450 7.7347 7.7841 8.0025 8.1027
8.2132 8.2704 8.4475 8.4652
k = 0.0306-0.0596 0.5225 ( 10960 PWs) bands (ev):
************************************************************************
-123.5475-123.5470-121.5351-121.5350-121.4619-121.4615-110.6122-110.6112
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1.3369 1.3411 1.5353 1.5464 1.7184 1.7227 1.7675 1.7759
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4.1209 4.1380 5.2146 5.2491 5.6045 5.6307 5.7551 5.7642
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7.5194 7.5402 7.6101 7.6400 7.7382 7.7752 8.0116 8.0873
8.2170 8.2598 8.4484 8.4618
k = 0.0204-0.0397 0.5225 ( 10964 PWs) bands (ev):
************************************************************************
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1.3339 1.3369 1.5363 1.5437 1.7193 1.7221 1.7686 1.7742
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4.1254 4.1371 5.2174 5.2408 5.6092 5.6271 5.7572 5.7629
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7.5251 7.5393 7.6148 7.6355 7.7425 7.7672 8.0221 8.0729
8.2221 8.2507 8.4502 8.4590
k = 0.0102-0.0199 0.5225 ( 10958 PWs) bands (ev):
************************************************************************
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7.5303 7.5375 7.6204 7.6309 7.7478 7.7602 8.0338 8.0592
8.2285 8.2428 8.4525 8.4568
k = 0.0000 0.0000 0.5225 ( 10956 PWs) bands (ev):
************************************************************************
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8.2353 8.2353 8.4549 8.4549
k = 0.0000 0.0000 0.5225 ( 10956 PWs) bands (ev):
************************************************************************
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8.2353 8.2353 8.4549 8.4549
k = 0.0204 0.0105 0.5225 ( 10965 PWs) bands (ev):
************************************************************************
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8.2322 8.2378 8.4500 8.4591
k = 0.0407 0.0209 0.5225 ( 10958 PWs) bands (ev):
************************************************************************
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8.2301 8.2412 8.4463 8.4642
k = 0.0611 0.0314 0.5225 ( 10957 PWs) bands (ev):
************************************************************************
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8.2279 8.2442 8.4422 8.4693
k = 0.0814 0.0418 0.5225 ( 10963 PWs) bands (ev):
************************************************************************
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8.2257 8.2469 8.4379 8.4739
k = 0.1018 0.0523 0.5225 ( 10950 PWs) bands (ev):
************************************************************************
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7.5018 7.5354 7.5892 7.6399 7.7219 7.7982 8.0283 8.1025
8.2246 8.2506 8.4343 8.4796
k = 0.1221 0.0627 0.5225 ( 10954 PWs) bands (ev):
************************************************************************
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7.4919 7.5295 7.5814 7.6409 7.7199 7.8037 8.0314 8.1144
8.2228 8.2534 8.4300 8.4840
k = 0.1425 0.0732 0.5225 ( 10954 PWs) bands (ev):
************************************************************************
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1.3203 1.3403 1.5101 1.5320 1.7153 1.7211 1.7688 1.7798
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7.4808 7.5222 7.5748 7.6418 7.7191 7.8086 8.0363 8.1256
8.2213 8.2564 8.4258 8.4888
k = 0.1628 0.0837 0.5225 ( 10961 PWs) bands (ev):
************************************************************************
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1.3190 1.3412 1.5032 1.5283 1.7141 1.7205 1.7696 1.7809
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4.1321 4.1374 5.2057 5.2677 5.5240 5.6258 5.7238 5.7743
5.8316 5.8844 6.1511 6.2177 6.4200 6.5306 6.7063 6.8370
7.4685 7.5145 7.5692 7.6420 7.7188 7.8127 8.0424 8.1356
8.2196 8.2594 8.4209 8.4931
k = 0.1832 0.0941 0.5225 ( 10961 PWs) bands (ev):
************************************************************************
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7.4558 7.5071 7.5644 7.6420 7.7193 7.8168 8.0496 8.1443
8.2185 8.2627 8.4164 8.4977
k = 0.2035 0.1046 0.5225 ( 10957 PWs) bands (ev):
************************************************************************
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7.4435 7.5008 7.5602 7.6424 7.7209 7.8212 8.0573 8.1515
8.2177 8.2668 8.4119 8.5026
k = 0.2239 0.1150 0.5225 ( 10964 PWs) bands (ev):
************************************************************************
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8.2170 8.2706 8.4068 8.5071
k = 0.2442 0.1255 0.5225 ( 10972 PWs) bands (ev):
************************************************************************
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1.3176 1.3456 1.4727 1.5078 1.7088 1.7161 1.7747 1.7859
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7.4200 7.4900 7.5522 7.6413 7.7252 7.8293 8.0705 8.1589
8.2161 8.2741 8.4017 8.5114
k = 0.2646 0.1360 0.5225 ( 10977 PWs) bands (ev):
************************************************************************
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8.2159 8.2774 8.3971 8.5149
k = 0.2850 0.1464 0.5225 ( 10965 PWs) bands (ev):
************************************************************************
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7.4023 7.4839 7.5475 7.6415 7.7315 7.8370 8.0786 8.1588
8.2162 8.2803 8.3939 8.5188
k = 0.3053 0.1569 0.5225 ( 10970 PWs) bands (ev):
************************************************************************
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1.3226 1.3506 1.4501 1.4875 1.7044 1.7108 1.7797 1.7898
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7.3956 7.4823 7.5456 7.6415 7.7348 7.8400 8.0798 8.1563
8.2156 8.2813 8.3908 8.5200
k = 0.3257 0.1673 0.5225 ( 10965 PWs) bands (ev):
************************************************************************
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1.3256 1.3527 1.4433 1.4800 1.7029 1.7088 1.7813 1.7909
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7.3906 7.4823 7.5450 7.6423 7.7384 7.8426 8.0792 8.1530
8.2146 8.2812 8.3892 8.5198
k = 0.3460 0.1778 0.5225 ( 10968 PWs) bands (ev):
************************************************************************
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1.3293 1.3549 1.4369 1.4725 1.7013 1.7068 1.7829 1.7919
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7.3873 7.4834 7.5448 7.6432 7.7420 7.8448 8.0766 8.1488
8.2130 8.2795 8.3883 8.5172
k = 0.3664 0.1882 0.5225 ( 10966 PWs) bands (ev):
************************************************************************
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1.3336 1.3572 1.4311 1.4649 1.6996 1.7048 1.7844 1.7927
2.1502 2.1751 2.9232 2.9598 3.1164 3.1861 3.4513 3.4853
4.1344 4.1379 5.2133 5.2756 5.4433 5.5371 5.6795 5.7580
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7.3858 7.4857 7.5453 7.6448 7.7456 7.8465 8.0727 8.1442
8.2105 8.2766 8.3881 8.5133
k = 0.3867 0.1987 0.5225 ( 10967 PWs) bands (ev):
************************************************************************
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1.3384 1.3597 1.4261 1.4575 1.6978 1.7029 1.7857 1.7934
2.1501 2.1750 2.9248 2.9576 3.1197 3.1836 3.4567 3.4862
4.1348 4.1383 5.2125 5.2710 5.4430 5.5344 5.6763 5.7537
5.8454 5.9771 6.2884 6.3717 6.4647 6.5644 6.7894 6.9020
7.3852 7.4886 7.5457 7.6465 7.7483 7.8473 8.0675 8.1390
8.2063 8.2724 8.3883 8.5082
k = 0.4071 0.2092 0.5225 ( 10968 PWs) bands (ev):
************************************************************************
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0.4719 0.4833 0.5188 0.5306 0.6706 0.6835 0.8457 0.8550
1.3437 1.3622 1.4216 1.4503 1.6959 1.7011 1.7869 1.7938
2.1500 2.1748 2.9267 2.9551 3.1236 3.1807 3.4615 3.4862
4.1344 4.1381 5.2097 5.2677 5.4431 5.5335 5.6736 5.7492
5.8453 5.9824 6.2960 6.3857 6.4644 6.5653 6.7975 6.9000
7.3860 7.4924 7.5466 7.6481 7.7504 7.8484 8.0624 8.1335
8.2013 8.2676 8.3885 8.5035
k = 0.5000 0.2569-0.1637 ( 10944 PWs) bands (ev):
************************************************************************
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1.3361 1.3361 1.4242 1.4242 1.6678 1.6678 1.8028 1.8028
2.1597 2.1597 2.9506 2.9506 3.1585 3.1585 3.4640 3.4640
4.1162 4.1162 5.1516 5.1516 5.5412 5.5412 5.7035 5.7035
5.9867 5.9867 6.3511 6.3511 6.6204 6.6204 6.8406 6.8406
7.3541 7.3541 7.6009 7.6009 7.7430 7.7430 8.0811 8.0811
8.2150 8.2150 8.4985 8.4985
k = 0.5105 0.2365-0.1637 ( 10946 PWs) bands (ev):
************************************************************************
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0.4877 0.4887 0.6101 0.6119 0.6641 0.6656 0.8704 0.8721
1.3350 1.3380 1.4217 1.4283 1.6668 1.6686 1.8022 1.8034
2.1586 2.1608 2.9444 2.9565 3.1536 3.1629 3.4604 3.4674
4.1104 4.1209 5.1459 5.1591 5.5339 5.5493 5.6949 5.7127
5.9786 5.9948 6.3429 6.3587 6.6152 6.6248 6.8334 6.8469
7.3506 7.3581 7.5987 7.6027 7.7398 7.7455 8.0774 8.0847
8.2100 8.2201 8.4944 8.5026
k = 0.5210 0.2161-0.1637 ( 10938 PWs) bands (ev):
************************************************************************
-123.5392-123.5387-121.5385-121.5382-121.4585-121.4575-110.6061-110.6052
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0.4873 0.4892 0.6086 0.6123 0.6628 0.6659 0.8700 0.8733
1.3349 1.3407 1.4207 1.4340 1.6656 1.6693 1.8017 1.8040
2.1576 2.1619 2.9385 2.9625 3.1488 3.1674 3.4574 3.4712
4.1047 4.1256 5.1425 5.1688 5.5278 5.5580 5.6869 5.7224
5.9710 6.0032 6.3340 6.3655 6.6102 6.6291 6.8264 6.8527
7.3486 7.3632 7.5964 7.6044 7.7370 7.7487 8.0737 8.0890
8.2051 8.2255 8.4916 8.5074
k = 0.5315 0.1956-0.1637 ( 10952 PWs) bands (ev):
************************************************************************
-123.5429-123.5414-121.5426-121.5394-121.4622-121.4597-110.6102-110.6087
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0.4867 0.4895 0.6068 0.6124 0.6612 0.6658 0.8698 0.8749
1.3354 1.3437 1.4212 1.4413 1.6641 1.6696 1.8011 1.8045
2.1565 2.1629 2.9322 2.9677 3.1433 3.1709 3.4536 3.4738
4.0975 4.1281 5.1401 5.1791 5.5219 5.5663 5.6793 5.7321
5.9626 6.0103 6.3239 6.3709 6.6047 6.6323 6.8185 6.8569
7.3465 7.3682 7.5929 7.6049 7.7324 7.7500 8.0693 8.0917
8.1991 8.2300 8.4878 8.5106
k = 0.5420 0.1752-0.1637 ( 10952 PWs) bands (ev):
************************************************************************
-123.5435-123.5410-121.5427-121.5392-121.4631-121.4605-110.6095-110.6077
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0.4863 0.4899 0.6048 0.6122 0.6594 0.6653 0.8700 0.8766
1.3367 1.3471 1.4235 1.4503 1.6625 1.6698 1.8004 1.8051
2.1555 2.1638 2.9262 2.9729 3.1381 3.1741 3.4501 3.4769
4.0913 4.1310 5.1402 5.1912 5.5173 5.5747 5.6730 5.7420
5.9545 6.0172 6.3137 6.3758 6.5995 6.6349 6.8113 6.8605
7.3464 7.3744 7.5892 7.6052 7.7278 7.7510 8.0649 8.0949
8.1936 8.2351 8.4853 8.5144
k = 0.5525 0.1548-0.1637 ( 10948 PWs) bands (ev):
************************************************************************
-123.5420-123.5401-121.5409-121.5383-121.4624-121.4605-110.6088-110.6078
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0.4859 0.4902 0.6025 0.6116 0.6572 0.6645 0.8705 0.8787
1.3383 1.3505 1.4278 1.4610 1.6608 1.6700 1.7997 1.8057
2.1547 2.1646 2.9204 2.9778 3.1332 3.1772 3.4468 3.4802
4.0850 4.1331 5.1427 5.2051 5.5138 5.5828 5.6681 5.7520
5.9475 6.0239 6.3033 6.3802 6.5945 6.6370 6.8044 6.8633
7.3472 7.3810 7.5849 7.6053 7.7237 7.7525 8.0608 8.0984
8.1884 8.2406 8.4833 8.5184
k = 0.5630 0.1344-0.1637 ( 10942 PWs) bands (ev):
************************************************************************
-123.5406-123.5387-121.5401-121.5372-121.4622-121.4598-110.6068-110.6061
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0.4856 0.4904 0.5999 0.6108 0.6548 0.6633 0.8713 0.8809
1.3401 1.3539 1.4340 1.4734 1.6591 1.6701 1.7989 1.8063
2.1539 2.1653 2.9148 2.9822 3.1282 3.1797 3.4439 3.4833
4.0789 4.1342 5.1472 5.2200 5.5112 5.5898 5.6648 5.7615
5.9408 6.0293 6.2932 6.3838 6.5896 6.6380 6.7978 6.8652
7.3487 7.3881 7.5801 7.6048 7.7190 7.7540 8.0565 8.1016
8.1830 8.2462 8.4813 8.5229
k = 0.5735 0.1139-0.1637 ( 10946 PWs) bands (ev):
************************************************************************
-123.5435-123.5413-121.5395-121.5375-121.4624-121.4606-110.6071-110.6068
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0.4853 0.4905 0.5971 0.6096 0.6522 0.6617 0.8725 0.8833
1.3417 1.3569 1.4422 1.4869 1.6574 1.6703 1.7980 1.8068
2.1533 2.1658 2.9090 2.9857 3.1231 3.1814 3.4404 3.4858
4.0724 4.1339 5.1532 5.2353 5.5091 5.5948 5.6638 5.7703
5.9347 6.0336 6.2836 6.3868 6.5844 6.6379 6.7913 6.8660
7.3506 7.3949 7.5739 7.6034 7.7140 7.7549 8.0520 8.1045
8.1773 8.2514 8.4779 8.5271
k = 0.5840 0.0935-0.1637 ( 10948 PWs) bands (ev):
************************************************************************
-123.5423-123.5412-121.5411-121.5405-121.4637-121.4628-110.6083-110.6071
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0.4852 0.4905 0.5942 0.6081 0.6494 0.6597 0.8739 0.8858
1.3430 1.3597 1.4523 1.5014 1.6558 1.6705 1.7970 1.8072
2.1529 2.1662 2.9036 2.9885 3.1190 3.1830 3.4372 3.4882
4.0663 4.1329 5.1613 5.2515 5.5075 5.5979 5.6652 5.7781
5.9297 6.0364 6.2753 6.3896 6.5792 6.6369 6.7856 6.8665
7.3530 7.4019 7.5670 7.6014 7.7094 7.7564 8.0473 8.1074
8.1720 8.2570 8.4739 8.5320
k = 0.5944 0.0731-0.1637 ( 10952 PWs) bands (ev):
************************************************************************
-123.5429-123.5418-121.5422-121.5418-121.4655-121.4641-110.6097-110.6072
-25.2096 -25.2091 -21.6368 -21.6362 -21.5483 -21.5473 -19.9202 -19.9191
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0.4851 0.4905 0.5912 0.6064 0.6465 0.6574 0.8756 0.8885
1.3439 1.3622 1.4641 1.5164 1.6545 1.6710 1.7959 1.8075
2.1526 2.1664 2.8985 2.9903 3.1152 3.1839 3.4341 3.4901
4.0606 4.1310 5.1707 5.2679 5.5063 5.5991 5.6689 5.7844
5.9257 6.0373 6.2689 6.3921 6.5739 6.6349 6.7801 6.8667
7.3553 7.4082 7.5590 7.5988 7.7045 7.7580 8.0424 8.1099
8.1668 8.2623 8.4685 8.5379
k = 0.6049 0.0527-0.1637 ( 10958 PWs) bands (ev):
************************************************************************
-123.5455-123.5438-121.5436-121.5429-121.4668-121.4659-110.6102-110.6088
-25.2136 -25.2120 -21.6407 -21.6396 -21.5525 -21.5502 -19.9202 -19.9190
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0.4851 0.4903 0.5882 0.6044 0.6435 0.6548 0.8775 0.8912
1.3445 1.3644 1.4773 1.5316 1.6537 1.6720 1.7947 1.8075
2.1525 2.1664 2.8937 2.9911 3.1122 3.1845 3.4311 3.4916
4.0554 4.1283 5.1816 5.2845 5.5049 5.5987 5.6741 5.7887
5.9229 6.0365 6.2648 6.3944 6.5685 6.6319 6.7752 6.8668
7.3573 7.4139 7.5502 7.5955 7.6998 7.7599 8.0377 8.1122
8.1620 8.2678 8.4616 8.5445
k = 0.6154 0.0322-0.1637 ( 10962 PWs) bands (ev):
************************************************************************
-123.5456-123.5445-121.5451-121.5439-121.4675-121.4665-110.6116-110.6093
-25.2155 -25.2145 -21.6445 -21.6433 -21.5533 -21.5525 -19.9201 -19.9190
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0.4851 0.4900 0.5853 0.6021 0.6406 0.6519 0.8797 0.8939
1.3449 1.3664 1.4914 1.5462 1.6536 1.6735 1.7934 1.8074
2.1525 2.1663 2.8892 2.9911 3.1104 3.1849 3.4285 3.4929
4.0509 4.1251 5.1942 5.3015 5.5033 5.5976 5.6805 5.7910
5.9216 6.0342 6.2632 6.3967 6.5630 6.6276 6.7710 6.8672
7.3587 7.4192 7.5406 7.5922 7.6954 7.7629 8.0332 8.1145
8.1576 8.2729 8.4544 8.5522
k = 0.6259 0.0118-0.1637 ( 10958 PWs) bands (ev):
************************************************************************
-123.5447-123.5441-121.5445-121.5424-121.4675-121.4657-110.6110-110.6077
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0.4852 0.4895 0.5825 0.5995 0.6378 0.6489 0.8821 0.8967
1.3452 1.3682 1.5060 1.5599 1.6544 1.6757 1.7923 1.8070
2.1528 2.1660 2.8857 2.9905 3.1098 3.1852 3.4272 3.4945
4.0479 4.1221 5.2082 5.3187 5.5014 5.5960 5.6875 5.7913
5.9221 6.0311 6.2643 6.3991 6.5576 6.6223 6.7674 6.8686
7.3593 7.4240 7.5308 7.5896 7.6914 7.7672 8.0294 8.1171
8.1540 8.2781 8.4471 8.5606
k = 0.6364-0.0086-0.1637 ( 10966 PWs) bands (ev):
************************************************************************
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1.3453 1.3699 1.5206 1.5720 1.6562 1.6788 1.7912 1.8063
2.1531 2.1655 2.8821 2.9884 3.1098 3.1848 3.4253 3.4949
4.0447 4.1179 5.2225 5.3351 5.4984 5.5939 5.6942 5.7896
5.9228 6.0271 6.2676 6.4012 6.5517 6.6153 6.7641 6.8705
7.3579 7.4272 7.5203 7.5873 7.6864 7.7716 8.0258 8.1188
8.1502 8.2823 8.4390 8.5687
k = 0.6469-0.0290-0.1637 ( 10962 PWs) bands (ev):
************************************************************************
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1.3453 1.3714 1.5346 1.5823 1.6594 1.6829 1.7903 1.8054
2.1535 2.1649 2.8792 2.9857 3.1109 3.1844 3.4243 3.4952
4.0433 4.1143 5.2381 5.3517 5.4948 5.5915 5.7009 5.7866
5.9246 6.0235 6.2729 6.4035 6.5460 6.6074 6.7616 6.8741
7.3551 7.4293 7.5106 7.5862 7.6820 7.7769 8.0229 8.1205
8.1474 8.2864 8.4316 8.5770
k = 0.6574-0.0495-0.1637 ( 10970 PWs) bands (ev):
************************************************************************
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1.3454 1.3729 1.5476 1.5904 1.6640 1.6880 1.7896 1.8041
2.1540 2.1642 2.8766 2.9819 3.1124 3.1832 3.4233 3.4945
4.0417 4.1092 5.2536 5.3676 5.4899 5.5883 5.7063 5.7823
5.9262 6.0202 6.2793 6.4057 6.5398 6.5980 6.7587 6.8783
7.3500 7.4285 7.5019 7.5858 7.6770 7.7823 8.0204 8.1216
8.1449 8.2895 8.4241 8.5827
k = 0.6679-0.0699-0.1637 ( 10970 PWs) bands (ev):
************************************************************************
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1.3456 1.3745 1.5592 1.5965 1.6699 1.6938 1.7894 1.8025
2.1545 2.1633 2.8746 2.9779 3.1147 3.1819 3.4231 3.4936
4.0416 4.1051 5.2696 5.3829 5.4846 5.5849 5.7110 5.7783
5.9285 6.0181 6.2865 6.4079 6.5335 6.5878 6.7560 6.8843
7.3438 7.4251 7.4961 7.5866 7.6725 7.7886 8.0190 8.1224
8.1432 8.2924 8.4179 8.5861
k = 0.6784-0.0903-0.1637 ( 10970 PWs) bands (ev):
************************************************************************
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1.3459 1.3760 1.5690 1.6012 1.6769 1.6998 1.7898 1.8007
2.1549 2.1624 2.8733 2.9733 3.1178 3.1806 3.4233 3.4922
4.0415 4.1000 5.2853 5.3977 5.4787 5.5808 5.7141 5.7748
5.9313 6.0167 6.2940 6.4103 6.5266 6.5770 6.7533 6.8918
7.3366 7.4184 7.4940 7.5876 7.6681 7.7945 8.0181 8.1222
8.1423 8.2949 8.4122 8.5862
k = 0.3216-0.6259-0.0000 ( 10970 PWs) bands (ev):
************************************************************************
-123.5447-123.5431-121.5460-121.5444-121.4697-121.4678-110.6145-110.6123
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1.3459 1.3760 1.5690 1.6012 1.6769 1.6998 1.7898 1.8007
2.1549 2.1624 2.8733 2.9733 3.1178 3.1806 3.4233 3.4922
4.0415 4.1000 5.2853 5.3977 5.4787 5.5808 5.7141 5.7748
5.9313 6.0167 6.2940 6.4103 6.5266 6.5770 6.7533 6.8918
7.3366 7.4184 7.4940 7.5876 7.6681 7.7945 8.0181 8.1222
8.1423 8.2949 8.4122 8.5861
k = 0.3112-0.6057-0.0000 ( 10966 PWs) bands (ev):
************************************************************************
-123.5422-123.5410-121.5448-121.5439-121.4689-121.4671-110.6137-110.6116
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1.3464 1.3775 1.5770 1.6046 1.6844 1.7057 1.7907 1.7988
2.1552 2.1614 2.8722 2.9685 3.1210 3.1788 3.4240 3.4902
4.0428 4.0954 5.3000 5.4114 5.4719 5.5763 5.7153 5.7726
5.9345 6.0157 6.3009 6.4126 6.5190 6.5664 6.7504 6.9005
7.3289 7.4088 7.4946 7.5885 7.6645 7.8003 8.0179 8.1216
8.1425 8.2969 8.4082 8.5824
k = 0.3008-0.5855-0.0000 ( 10970 PWs) bands (ev):
************************************************************************
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1.3472 1.3791 1.5834 1.6072 1.6919 1.7110 1.7917 1.7971
2.1551 2.1607 2.8717 2.9638 3.1243 3.1766 3.4250 3.4876
4.0444 4.0909 5.3132 5.4233 5.4649 5.5721 5.7147 5.7712
5.9382 6.0148 6.3066 6.4147 6.5100 6.5566 6.7466 6.9099
7.3212 7.3970 7.4971 7.5884 7.6620 7.8053 8.0181 8.1194
8.1433 8.2982 8.4037 8.5762
k = 0.2905-0.5653-0.0000 ( 10960 PWs) bands (ev):
************************************************************************
-123.5425-123.5412-121.5416-121.5411-121.4659-121.4650-110.6115-110.6101
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0.4802 0.4874 0.5694 0.5767 0.6246 0.6277 0.9030 0.9135
1.3482 1.3808 1.5885 1.6092 1.6986 1.7160 1.7919 1.7970
2.1545 2.1603 2.8722 2.9593 3.1283 3.1749 3.4271 3.4850
4.0478 4.0875 5.3244 5.4334 5.4587 5.5694 5.7132 5.7714
5.9430 6.0141 6.3110 6.4173 6.4995 6.5486 6.7425 6.9208
7.3150 7.3849 7.5011 7.5881 7.6616 7.8105 8.0192 8.1176
8.1457 8.3002 8.4008 8.5688
k = 0.2801-0.5451-0.0000 ( 10958 PWs) bands (ev):
************************************************************************
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0.4789 0.4878 0.5681 0.5752 0.6238 0.6270 0.9048 0.9149
1.3496 1.3827 1.5926 1.6107 1.7036 1.7210 1.7904 1.7989
2.1533 2.1602 2.8729 2.9547 3.1322 3.1728 3.4293 3.4817
4.0514 4.0840 5.3324 5.4367 5.4573 5.5686 5.7104 5.7723
5.9482 6.0128 6.3129 6.4192 6.4870 6.5424 6.7375 6.9316
7.3101 7.3728 7.5046 7.5864 7.6621 7.8143 8.0201 8.1151
8.1479 8.3015 8.3978 8.5600
k = 0.2697-0.5249-0.0000 ( 10964 PWs) bands (ev):
************************************************************************
-123.5434-123.5422-121.5428-121.5418-121.4674-121.4660-110.6120-110.6105
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0.4778 0.4885 0.5666 0.5742 0.6232 0.6268 0.9061 0.9162
1.3512 1.3846 1.5958 1.6117 1.7061 1.7260 1.7886 1.8014
2.1518 2.1603 2.8736 2.9500 3.1359 3.1704 3.4311 3.4775
4.0545 4.0797 5.3362 5.4295 5.4645 5.5702 5.7070 5.7737
5.9541 6.0109 6.3122 6.4200 6.4731 6.5378 6.7314 6.9420
7.3068 7.3613 7.5076 7.5842 7.6635 7.8169 8.0208 8.1123
8.1507 8.3026 8.3940 8.5497
k = 0.2594-0.5048-0.0000 ( 10962 PWs) bands (ev):
************************************************************************
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k = 0.2490-0.4846-0.0000 ( 10958 PWs) bands (ev):
************************************************************************
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8.1583 8.3055 8.3874 8.5287
k = 0.2386-0.4644-0.0000 ( 10960 PWs) bands (ev):
************************************************************************
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8.1625 8.3070 8.3835 8.5177
k = 0.2282-0.4442-0.0000 ( 10952 PWs) bands (ev):
************************************************************************
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7.3119 7.3380 7.5093 7.5811 7.6784 7.8150 8.0236 8.1065
8.1673 8.3086 8.3805 8.5071
k = 0.2179-0.4240-0.0000 ( 10956 PWs) bands (ev):
************************************************************************
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7.3124 7.3439 7.5071 7.5816 7.6824 7.8106 8.0238 8.1065
8.1719 8.3093 8.3766 8.4964
k = 0.2075-0.4038-0.0000 ( 10964 PWs) bands (ev):
************************************************************************
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7.3117 7.3543 7.5044 7.5819 7.6861 7.8047 8.0237 8.1070
8.1766 8.3086 8.3731 8.4857
k = 0.1971-0.3836-0.0000 ( 10976 PWs) bands (ev):
************************************************************************
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1.3731 1.4023 1.5870 1.6226 1.6797 1.7328 1.7893 1.8099
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5.9795 6.0005 6.2411 6.3664 6.3957 6.5377 6.6954 6.9801
7.3110 7.3675 7.5018 7.5819 7.6890 7.7974 8.0235 8.1075
8.1809 8.3069 8.3706 8.4761
k = 0.1867-0.3634-0.0000 ( 10962 PWs) bands (ev):
************************************************************************
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1.3776 1.4053 1.5805 1.6235 1.6728 1.7312 1.7893 1.8097
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4.0626 4.0950 5.2587 5.2963 5.5796 5.6416 5.6849 5.7964
5.9745 6.0057 6.2252 6.3537 6.3882 6.5371 6.6962 6.9787
7.3119 7.3838 7.5010 7.5826 7.6926 7.7905 8.0242 8.1094
8.1860 8.3049 8.3702 8.4680
k = 0.1764-0.3432-0.0000 ( 10958 PWs) bands (ev):
************************************************************************
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1.3824 1.4083 1.5728 1.6219 1.6672 1.7296 1.7888 1.8093
2.1367 2.1603 2.9053 2.9301 3.1411 3.1773 3.4319 3.4568
4.0626 4.1003 5.2423 5.2788 5.5932 5.6490 5.6846 5.8001
5.9694 6.0104 6.2085 6.3410 6.3810 6.5352 6.6982 6.9756
7.3127 7.4011 7.5005 7.5827 7.6949 7.7820 8.0249 8.1114
8.1907 8.3013 8.3708 8.4607
k = 0.1660-0.3230-0.0000 ( 10946 PWs) bands (ev):
************************************************************************
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1.3873 1.4112 1.5641 1.6168 1.6642 1.7281 1.7880 1.8088
2.1356 2.1599 2.9107 2.9314 3.1391 3.1802 3.4280 3.4585
4.0640 4.1060 5.2259 5.2616 5.6051 5.6540 5.6867 5.8034
5.9650 6.0145 6.1924 6.3287 6.3741 6.5325 6.7023 6.9714
7.3137 7.4193 7.5011 7.5827 7.6964 7.7741 8.0259 8.1136
8.1952 8.2974 8.3727 8.4543
k = 0.1556-0.3029-0.0000 ( 10944 PWs) bands (ev):
************************************************************************
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4.0655 4.1110 5.2091 5.2444 5.6142 5.6567 5.6909 5.8058
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7.3139 7.4368 7.5018 7.5819 7.6961 7.7654 8.0269 8.1151
8.1992 8.2923 8.3752 8.4488
k = 0.1452-0.2827-0.0000 ( 10945 PWs) bands (ev):
************************************************************************
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7.3139 7.4533 7.5033 7.5808 7.6942 7.7575 8.0279 8.1161
8.2025 8.2870 8.3780 8.4442
k = 0.1349-0.2625-0.0000 ( 10941 PWs) bands (ev):
************************************************************************
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8.2057 8.2821 8.3816 8.4405
k = 0.1245-0.2423-0.0000 ( 10953 PWs) bands (ev):
************************************************************************
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8.2081 8.2766 8.3848 8.4371
k = 0.1141-0.2221-0.0000 ( 10951 PWs) bands (ev):
************************************************************************
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8.2103 8.2722 8.3888 8.4347
k = 0.1037-0.2019-0.0000 ( 10951 PWs) bands (ev):
************************************************************************
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8.2125 8.2683 8.3928 8.4332
k = 0.0934-0.1817-0.0000 ( 10953 PWs) bands (ev):
************************************************************************
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7.3147 7.4731 7.5432 7.5838 7.6689 7.7307 8.0380 8.1123
8.2144 8.2646 8.3969 8.4323
k = 0.0830-0.1615-0.0000 ( 10957 PWs) bands (ev):
************************************************************************
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1.4104 1.4312 1.4820 1.5070 1.6914 1.7226 1.7807 1.7995
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7.3162 7.4649 7.5523 7.5886 7.6642 7.7264 8.0406 8.1094
8.2161 8.2609 8.4006 8.4318
k = 0.0726-0.1413-0.0000 ( 10969 PWs) bands (ev):
************************************************************************
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4.0952 4.1372 5.0969 5.1240 5.6101 5.6607 5.7463 5.8014
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7.3185 7.4546 7.5590 7.5935 7.6601 7.7216 8.0433 8.1058
8.2175 8.2570 8.4040 8.4311
k = 0.0622-0.1211-0.0000 ( 10961 PWs) bands (ev):
************************************************************************
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7.3225 7.4438 7.5656 7.5986 7.6595 7.7175 8.0471 8.1022
8.2197 8.2540 8.4081 8.4314
k = 0.0519-0.1010-0.0000 ( 10949 PWs) bands (ev):
************************************************************************
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1.3997 1.4304 1.4617 1.4828 1.7043 1.7224 1.7805 1.7942
2.1349 2.1478 2.9544 2.9717 3.1334 3.1747 3.4142 3.4462
4.1067 4.1393 5.0815 5.1022 5.6091 5.6507 5.7594 5.7990
5.9230 5.9719 6.1761 6.2432 6.3536 6.4566 6.7992 6.8991
7.3279 7.4321 7.5715 7.6023 7.6612 7.7137 8.0510 8.0984
8.2222 8.2513 8.4121 8.4317
k = 0.0415-0.0808-0.0000 ( 10951 PWs) bands (ev):
************************************************************************
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1.3965 1.4237 1.4610 1.4790 1.7079 1.7221 1.7809 1.7923
2.1358 2.1463 2.9581 2.9732 3.1361 3.1706 3.4164 3.4429
4.1120 4.1388 5.0759 5.0929 5.6098 5.6447 5.7653 5.7972
5.9224 5.9631 6.1847 6.2385 6.3603 6.4461 6.8097 6.8905
7.3338 7.4194 7.5765 7.6032 7.6646 7.7087 8.0551 8.0940
8.2243 8.2477 8.4157 8.4313
k = 0.0311-0.0606-0.0000 ( 10961 PWs) bands (ev):
************************************************************************
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1.3944 1.4157 1.4622 1.4761 1.7111 1.7216 1.7815 1.7904
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4.1165 4.1372 5.0718 5.0849 5.6113 5.6384 5.7705 5.7947
5.9230 5.9545 6.1924 6.2330 6.3684 6.4347 6.8201 6.8809
7.3409 7.4060 7.5804 7.6021 7.6685 7.7033 8.0593 8.0889
8.2263 8.2439 8.4187 8.4303
k = 0.0207-0.0404-0.0000 ( 10951 PWs) bands (ev):
************************************************************************
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1.3937 1.4082 1.4644 1.4736 1.7140 1.7209 1.7824 1.7885
2.1379 2.1433 2.9648 2.9732 3.1434 3.1616 3.4218 3.4360
4.1219 4.1360 5.0699 5.0787 5.6140 5.6324 5.7757 5.7919
5.9254 5.9470 6.2009 6.2280 6.3784 6.4237 6.8311 6.8716
7.3496 7.3935 7.5852 7.6001 7.6743 7.6981 8.0642 8.0841
8.2290 8.2409 8.4221 8.4299
k = 0.0104-0.0202-0.0000 ( 10945 PWs) bands (ev):
************************************************************************
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1.3948 1.4021 1.4667 1.4713 1.7164 1.7198 1.7837 1.7867
2.1392 2.1418 2.9677 2.9722 3.1478 3.1570 3.4254 3.4325
4.1263 4.1334 5.0697 5.0742 5.6176 5.6270 5.7804 5.7886
5.9293 5.9402 6.2085 6.2221 6.3892 6.4122 6.8419 6.8623
7.3595 7.3816 7.5897 7.5973 7.6806 7.6927 8.0692 8.0792
8.2319 8.2379 8.4249 8.4289
k = 0.0000 0.0000 0.0000 ( 10945 PWs) bands (ev):
************************************************************************
-123.5430-123.5430-121.5310-121.5310-121.4574-121.4574-110.6091-110.6091
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0.5316 0.5316 0.5510 0.5510 0.6470 0.6470 0.8973 0.8973
1.3975 1.3975 1.4690 1.4690 1.7183 1.7183 1.7851 1.7851
2.1405 2.1405 2.9703 2.9703 3.1523 3.1523 3.4289 3.4289
4.1301 4.1301 5.0711 5.0711 5.6219 5.6219 5.7848 5.7848
5.9342 5.9342 6.2156 6.2156 6.4005 6.4005 6.8522 6.8522
7.3701 7.3701 7.5937 7.5937 7.6867 7.6867 8.0742 8.0742
8.2348 8.2348 8.4271 8.4271
k = 0.0000 0.0000 0.0000 ( 10945 PWs) bands (ev):
************************************************************************
-123.5430-123.5430-121.5310-121.5310-121.4574-121.4574-110.6091-110.6091
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0.5316 0.5316 0.5510 0.5510 0.6470 0.6470 0.8973 0.8973
1.3975 1.3975 1.4690 1.4690 1.7183 1.7183 1.7851 1.7851
2.1405 2.1405 2.9703 2.9703 3.1523 3.1523 3.4289 3.4289
4.1301 4.1301 5.0711 5.0711 5.6219 5.6219 5.7848 5.7848
5.9342 5.9342 6.2156 6.2156 6.4005 6.4005 6.8522 6.8522
7.3701 7.3701 7.5937 7.5937 7.6867 7.6867 8.0742 8.0742
8.2348 8.2348 8.4271 8.4271
k = 0.0185-0.0133-0.0030 ( 10948 PWs) bands (ev):
************************************************************************
-123.5442-123.5438-121.5330-121.5309-121.4591-121.4576-110.6104-110.6087
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1.3940 1.4023 1.4659 1.4723 1.7162 1.7193 1.7835 1.7868
2.1390 2.1423 2.9663 2.9734 3.1471 3.1574 3.4245 3.4332
4.1265 4.1329 5.0692 5.0742 5.6174 5.6273 5.7800 5.7884
5.9278 5.9421 6.2111 6.2193 6.3915 6.4096 6.8364 6.8675
7.3565 7.3845 7.5875 7.5995 7.6798 7.6930 8.0682 8.0799
8.2302 8.2396 8.4249 8.4290
k = 0.0370-0.0265-0.0061 ( 10952 PWs) bands (ev):
************************************************************************
-123.5446-123.5442-121.5342-121.5322-121.4612-121.4596-110.6110-110.6092
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0.5308 0.5320 0.5486 0.5524 0.6461 0.6490 0.8956 0.8992
1.3919 1.4082 1.4631 1.4756 1.7131 1.7193 1.7822 1.7885
2.1378 2.1446 2.9620 2.9758 3.1419 3.1623 3.4205 3.4377
4.1229 4.1356 5.0688 5.0788 5.6137 5.6333 5.7744 5.7911
5.9231 5.9512 6.2058 6.2226 6.3827 6.4185 6.8208 6.8826
7.3441 7.3997 7.5816 7.6053 7.6729 7.6991 8.0624 8.0855
8.2262 8.2449 8.4223 8.4304
k = 0.0556-0.0398-0.0091 ( 10956 PWs) bands (ev):
************************************************************************
-123.5446-123.5434-121.5358-121.5348-121.4631-121.4619-110.6112-110.6092
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1.3911 1.4146 1.4612 1.4789 1.7089 1.7184 1.7810 1.7901
2.1371 2.1471 2.9574 2.9773 3.1370 3.1670 3.4169 3.4422
4.1188 4.1375 5.0699 5.0849 5.6108 5.6402 5.7680 5.7928
5.9203 5.9617 6.1997 6.2257 6.3746 6.4272 6.8053 6.8975
7.3334 7.4157 7.5755 7.6110 7.6661 7.7044 8.0565 8.0910
8.2225 8.2502 8.4194 8.4319
k = 0.0741-0.0531-0.0121 ( 10959 PWs) bands (ev):
************************************************************************
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0.5301 0.5308 0.5463 0.5527 0.6468 0.6518 0.8940 0.9013
1.3916 1.4205 1.4611 1.4825 1.7038 1.7167 1.7800 1.7917
2.1369 2.1500 2.9525 2.9781 3.1323 3.1714 3.4134 3.4466
4.1144 4.1390 5.0726 5.0924 5.6089 5.6476 5.7609 5.7936
5.9195 5.9734 6.1929 6.2290 6.3675 6.4353 6.7903 6.9118
7.3247 7.4321 7.5694 7.6160 7.6603 7.7097 8.0510 8.0961
8.2196 8.2561 8.4164 8.4337
k = 0.0926-0.0663-0.0152 ( 10952 PWs) bands (ev):
************************************************************************
-123.5423-123.5414-121.5350-121.5341-121.4613-121.4604-110.6110-110.6099
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0.5285 0.5303 0.5455 0.5529 0.6476 0.6533 0.8934 0.9024
1.3932 1.4246 1.4641 1.4864 1.6979 1.7143 1.7792 1.7929
2.1372 2.1531 2.9473 2.9781 3.1283 3.1755 3.4110 3.4514
4.1104 4.1404 5.0768 5.1014 5.6078 5.6554 5.7534 5.7938
5.9206 5.9860 6.1856 6.2329 6.3615 6.4427 6.7760 6.9257
7.3179 7.4481 7.5632 7.6199 7.6565 7.7152 8.0459 8.1011
8.2174 8.2626 8.4131 8.4360
k = 0.1111-0.0796-0.0182 ( 10951 PWs) bands (ev):
************************************************************************
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0.5260 0.5300 0.5446 0.5536 0.6486 0.6547 0.8929 0.9036
1.3954 1.4256 1.4707 1.4911 1.6912 1.7114 1.7785 1.7939
2.1379 2.1564 2.9421 2.9771 3.1244 3.1787 3.4089 3.4558
4.1061 4.1410 5.0821 5.1115 5.6073 5.6632 5.7454 5.7934
5.9234 5.9988 6.1773 6.2372 6.3566 6.4496 6.7616 6.9383
7.3129 7.4638 7.5568 7.6209 7.6560 7.7201 8.0411 8.1052
8.2156 8.2689 8.4095 8.4383
k = 0.1296-0.0928-0.0212 ( 10956 PWs) bands (ev):
************************************************************************
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0.5229 0.5294 0.5435 0.5549 0.6498 0.6561 0.8925 0.9049
1.3979 1.4243 1.4797 1.4972 1.6838 1.7082 1.7778 1.7944
2.1391 2.1599 2.9363 2.9750 3.1213 3.1815 3.4073 3.4600
4.1012 4.1406 5.0885 5.1226 5.6071 5.6702 5.7372 5.7928
5.9273 6.0116 6.1684 6.2424 6.3527 6.4555 6.7475 6.9493
7.3097 7.4776 7.5494 7.6182 7.6586 7.7249 8.0366 8.1088
8.2135 8.2750 8.4053 8.4411
k = 0.1481-0.1061-0.0242 ( 10960 PWs) bands (ev):
************************************************************************
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-2.4979 -2.4782 -2.2229 -2.2190 -1.9688 -1.9592 -1.4950 -1.4922
-0.7774 -0.7299 -0.6812 -0.6124 0.1347 0.1457 0.1976 0.2263
0.5194 0.5283 0.5427 0.5568 0.6510 0.6573 0.8923 0.9062
1.4004 1.4220 1.4888 1.5059 1.6760 1.7049 1.7771 1.7946
2.1407 2.1635 2.9306 2.9718 3.1190 3.1840 3.4065 3.4640
4.0967 4.1399 5.0966 5.1352 5.6072 5.6763 5.7293 5.7924
5.9327 6.0243 6.1599 6.2483 6.3498 6.4609 6.7338 6.9588
7.3085 7.4895 7.5420 7.6142 7.6648 7.7300 8.0326 8.1124
8.2119 8.2813 8.4006 8.4442
k = 0.1667-0.1194-0.0273 ( 10958 PWs) bands (ev):
************************************************************************
-123.5452-123.5435-121.5358-121.5342-121.4659-121.4647-110.6117-110.6115
-25.2088 -25.2073 -21.6441 -21.6437 -21.5492 -21.5478 -19.9215 -19.9206
-19.2479 -19.2479 -18.7943 -18.7924 -18.4544 -18.4540 -17.7555 -17.7554
-17.1932 -17.1921 -16.6704 -16.6703 -16.1903 -16.1884 -15.0046 -14.9975
-14.8426 -14.8414 -13.1353 -13.1298 -11.3278 -11.3258 -11.0493 -11.0483
-10.7112 -10.7098 -9.0409 -9.0365 -8.9776 -8.9715 -8.7206 -8.7122
-8.5227 -8.5179 -7.8335 -7.8301 -7.2845 -7.2677 -6.5658 -6.5636
-4.7802 -4.7687 -4.3884 -4.3828 -3.9773 -3.9719 -3.7200 -3.7076
-3.4076 -3.3703 -3.3482 -3.3281 -3.2222 -3.2050 -2.8186 -2.8105
-2.5014 -2.4802 -2.2231 -2.2188 -1.9692 -1.9591 -1.4965 -1.4934
-0.7839 -0.7352 -0.6842 -0.6123 0.1383 0.1505 0.1953 0.2269
0.5157 0.5264 0.5425 0.5590 0.6522 0.6584 0.8922 0.9076
1.4022 1.4194 1.4969 1.5177 1.6678 1.7016 1.7763 1.7945
2.1428 2.1673 2.9250 2.9679 3.1174 3.1860 3.4063 3.4682
4.0926 4.1391 5.1062 5.1490 5.6072 5.6802 5.7224 5.7927
5.9386 6.0355 6.1525 6.2553 6.3482 6.4660 6.7213 6.9672
7.3094 7.4984 7.5340 7.6102 7.6728 7.7357 8.0295 8.1156
8.2103 8.2880 8.3962 8.4484
k = 0.1852-0.1326-0.0303 ( 10951 PWs) bands (ev):
************************************************************************
-123.5419-123.5400-121.5336-121.5325-121.4637-121.4631-110.6105-110.6101
-25.2043 -25.2027 -21.6398 -21.6394 -21.5460 -21.5449 -19.9214 -19.9204
-19.2479 -19.2478 -18.7946 -18.7926 -18.4511 -18.4501 -17.7556 -17.7554
-17.1932 -17.1921 -16.6703 -16.6702 -16.1904 -16.1884 -15.0026 -14.9952
-14.8425 -14.8412 -13.1337 -13.1277 -11.3276 -11.3255 -11.0478 -11.0470
-10.7084 -10.7069 -9.0390 -9.0354 -8.9753 -8.9702 -8.7182 -8.7090
-8.5234 -8.5181 -7.8318 -7.8283 -7.2855 -7.2678 -6.5645 -6.5623
-4.7817 -4.7695 -4.3883 -4.3818 -3.9799 -3.9744 -3.7200 -3.7073
-3.4072 -3.3685 -3.3453 -3.3247 -3.2208 -3.2023 -2.8212 -2.8125
-2.5050 -2.4826 -2.2234 -2.2186 -1.9696 -1.9590 -1.4980 -1.4947
-0.7909 -0.7430 -0.6848 -0.6121 0.1421 0.1555 0.1933 0.2275
0.5118 0.5238 0.5429 0.5616 0.6533 0.6594 0.8923 0.9090
1.4028 1.4173 1.5043 1.5315 1.6593 1.6986 1.7755 1.7940
2.1453 2.1712 2.9198 2.9633 3.1165 3.1875 3.4068 3.4721
4.0890 4.1383 5.1171 5.1638 5.6065 5.6807 5.7173 5.7945
5.9451 6.0448 6.1475 6.2632 6.3480 6.4708 6.7098 6.9740
7.3125 7.5036 7.5265 7.6076 7.6816 7.7421 8.0270 8.1188
8.2087 8.2943 8.3921 8.4538
k = 0.2037-0.1459-0.0333 ( 10945 PWs) bands (ev):
************************************************************************
-123.5388-123.5366-121.5329-121.5320-121.4630-121.4618-110.6093-110.6090
-25.2015 -25.1989 -21.6354 -21.6347 -21.5437 -21.5417 -19.9212 -19.9203
-19.2478 -19.2478 -18.7949 -18.7928 -18.4482 -18.4476 -17.7556 -17.7555
-17.1932 -17.1920 -16.6702 -16.6701 -16.1906 -16.1885 -15.0018 -14.9941
-14.8425 -14.8412 -13.1328 -13.1264 -11.3274 -11.3253 -11.0468 -11.0459
-10.7057 -10.7043 -9.0373 -9.0348 -8.9735 -8.9680 -8.7156 -8.7064
-8.5239 -8.5184 -7.8302 -7.8263 -7.2860 -7.2668 -6.5632 -6.5609
-4.7832 -4.7705 -4.3880 -4.3808 -3.9825 -3.9771 -3.7198 -3.7070
-3.4064 -3.3668 -3.3422 -3.3213 -3.2194 -3.1998 -2.8238 -2.8146
-2.5085 -2.4851 -2.2238 -2.2185 -1.9699 -1.9590 -1.4996 -1.4960
-0.7984 -0.7526 -0.6837 -0.6120 0.1456 0.1609 0.1916 0.2280
0.5078 0.5205 0.5439 0.5643 0.6541 0.6603 0.8927 0.9105
1.4019 1.4162 1.5116 1.5461 1.6508 1.6962 1.7746 1.7932
2.1482 2.1750 2.9142 2.9580 3.1162 3.1884 3.4078 3.4752
4.0856 4.1368 5.1287 5.1796 5.6051 5.6777 5.7147 5.7978
5.9517 6.0509 6.1457 6.2714 6.3491 6.4756 6.6994 6.9792
7.3173 7.5030 7.5211 7.6068 7.6906 7.7494 8.0255 8.1218
8.2067 8.3004 8.3887 8.4601
k = 0.2222-0.1592-0.0364 ( 10948 PWs) bands (ev):
************************************************************************
-123.5386-123.5355-121.5342-121.5333-121.4654-121.4638-110.6101-110.6099
-25.2048 -25.2021 -21.6377 -21.6365 -21.5452 -21.5435 -19.9211 -19.9201
-19.2478 -19.2478 -18.7951 -18.7930 -18.4477 -18.4471 -17.7557 -17.7556
-17.1933 -17.1920 -16.6701 -16.6700 -16.1907 -16.1886 -15.0034 -14.9955
-14.8426 -14.8413 -13.1343 -13.1276 -11.3273 -11.3250 -11.0481 -11.0471
-10.7058 -10.7043 -9.0391 -9.0359 -8.9737 -8.9684 -8.7156 -8.7071
-8.5246 -8.5190 -7.8286 -7.8243 -7.2873 -7.2677 -6.5619 -6.5595
-4.7846 -4.7715 -4.3877 -4.3797 -3.9853 -3.9800 -3.7196 -3.7068
-3.4052 -3.3650 -3.3390 -3.3179 -3.2182 -3.1978 -2.8263 -2.8167
-2.5119 -2.4879 -2.2243 -2.2186 -1.9700 -1.9591 -1.5012 -1.4975
-0.8064 -0.7633 -0.6817 -0.6119 0.1488 0.1663 0.1902 0.2287
0.5037 0.5167 0.5454 0.5671 0.6548 0.6610 0.8932 0.9120
1.3997 1.4156 1.5188 1.5608 1.6424 1.6945 1.7736 1.7922
2.1513 2.1787 2.9084 2.9516 3.1163 3.1885 3.4086 3.4775
4.0819 4.1342 5.1412 5.1959 5.6022 5.6712 5.7137 5.8028
5.9579 6.0525 6.1483 6.2794 6.3515 6.4801 6.6897 6.9825
7.3232 7.4956 7.5176 7.6075 7.6991 7.7573 8.0244 8.1244
8.2039 8.3051 8.3856 8.4670
k = 0.2407-0.1724-0.0394 ( 10944 PWs) bands (ev):
************************************************************************
-123.5356-123.5317-121.5330-121.5318-121.4636-121.4618-110.6102-110.6090
-25.2012 -25.1981 -21.6344 -21.6323 -21.5435 -21.5412 -19.9209 -19.9199
-19.2478 -19.2477 -18.7954 -18.7933 -18.4470 -18.4456 -17.7558 -17.7557
-17.1933 -17.1920 -16.6700 -16.6699 -16.1908 -16.1887 -15.0022 -14.9941
-14.8426 -14.8412 -13.1332 -13.1261 -11.3271 -11.3248 -11.0475 -11.0464
-10.7053 -10.7038 -9.0381 -9.0351 -8.9727 -8.9669 -8.7144 -8.7060
-8.5253 -8.5194 -7.8269 -7.8224 -7.2884 -7.2684 -6.5605 -6.5582
-4.7860 -4.7727 -4.3873 -4.3787 -3.9882 -3.9830 -3.7193 -3.7067
-3.4035 -3.3632 -3.3356 -3.3146 -3.2172 -3.1961 -2.8287 -2.8187
-2.5151 -2.4908 -2.2249 -2.2188 -1.9701 -1.9593 -1.5028 -1.4990
-0.8146 -0.7745 -0.6787 -0.6114 0.1516 0.1718 0.1894 0.2295
0.4997 0.5126 0.5474 0.5699 0.6552 0.6615 0.8939 0.9134
1.3969 1.4151 1.5258 1.5748 1.6344 1.6938 1.7727 1.7911
2.1548 2.1824 2.9033 2.9453 3.1171 3.1885 3.4105 3.4797
4.0793 4.1322 5.1545 5.2129 5.5977 5.6633 5.7139 5.8094
5.9634 6.0502 6.1555 6.2871 6.3560 6.4847 6.6816 6.9840
7.3298 7.4854 7.5150 7.6091 7.7070 7.7665 8.0242 8.1273
8.2008 8.3083 8.3845 8.4751
k = 0.2593-0.1857-0.0424 ( 10947 PWs) bands (ev):
************************************************************************
-123.5373-123.5343-121.5332-121.5323-121.4656-121.4635-110.6115-110.6109
-25.2028 -25.2005 -21.6347 -21.6337 -21.5440 -21.5427 -19.9207 -19.9197
-19.2477 -19.2477 -18.7957 -18.7936 -18.4473 -18.4457 -17.7559 -17.7558
-17.1933 -17.1920 -16.6700 -16.6698 -16.1910 -16.1888 -15.0030 -14.9949
-14.8425 -14.8413 -13.1344 -13.1277 -11.3268 -11.3246 -11.0484 -11.0473
-10.7074 -10.7059 -9.0397 -9.0356 -8.9746 -8.9681 -8.7175 -8.7076
-8.5260 -8.5201 -7.8253 -7.8204 -7.2910 -7.2702 -6.5592 -6.5569
-4.7873 -4.7740 -4.3868 -4.3776 -3.9912 -3.9861 -3.7188 -3.7067
-3.4014 -3.3612 -3.3323 -3.3113 -3.2164 -3.1950 -2.8308 -2.8206
-2.5182 -2.4939 -2.2256 -2.2191 -1.9702 -1.9596 -1.5045 -1.5005
-0.8229 -0.7859 -0.6754 -0.6111 0.1536 0.1769 0.1895 0.2306
0.4957 0.5084 0.5496 0.5727 0.6553 0.6619 0.8947 0.9147
1.3940 1.4144 1.5322 1.5872 1.6276 1.6942 1.7717 1.7900
2.1585 2.1860 2.8980 2.9384 3.1180 3.1876 3.4127 3.4812
4.0766 4.1292 5.1684 5.2302 5.5912 5.6545 5.7146 5.8170
5.9678 6.0442 6.1661 6.2941 6.3619 6.4896 6.6746 6.9838
7.3364 7.4736 7.5117 7.6112 7.7142 7.7762 8.0246 8.1302
8.1969 8.3092 8.3853 8.4843
k = 0.2778-0.1989-0.0455 ( 10940 PWs) bands (ev):
************************************************************************
-123.5354-123.5322-121.5317-121.5303-121.4616-121.4608-110.6104-110.6104
-25.1989 -25.1966 -21.6307 -21.6285 -21.5406 -21.5400 -19.9205 -19.9195
-19.2477 -19.2477 -18.7960 -18.7938 -18.4431 -18.4422 -17.7560 -17.7559
-17.1933 -17.1920 -16.6699 -16.6697 -16.1910 -16.1889 -15.0005 -14.9924
-14.8424 -14.8411 -13.1323 -13.1253 -11.3266 -11.3244 -11.0457 -11.0446
-10.7043 -10.7026 -9.0378 -9.0323 -8.9729 -8.9665 -8.7146 -8.7043
-8.5264 -8.5206 -7.8236 -7.8185 -7.2910 -7.2708 -6.5578 -6.5555
-4.7885 -4.7753 -4.3861 -4.3765 -3.9941 -3.9892 -3.7182 -3.7066
-3.3988 -3.3590 -3.3290 -3.3082 -3.2158 -3.1944 -2.8327 -2.8223
-2.5210 -2.4969 -2.2263 -2.2196 -1.9701 -1.9599 -1.5060 -1.5020
-0.8313 -0.7973 -0.6715 -0.6106 0.1551 0.1807 0.1912 0.2321
0.4917 0.5041 0.5522 0.5755 0.6552 0.6621 0.8958 0.9159
1.3912 1.4134 1.5376 1.5957 1.6242 1.6958 1.7710 1.7891
2.1624 2.1894 2.8933 2.9315 3.1194 3.1865 3.4155 3.4824
4.0748 4.1264 5.1836 5.2481 5.5835 5.6456 5.7168 5.8256
5.9709 6.0362 6.1794 6.3006 6.3691 6.4950 6.6705 6.9827
7.3428 7.4615 7.5090 7.6143 7.7211 7.7866 8.0258 8.1341
8.1926 8.3083 8.3892 8.4946
k = 0.2963-0.2122-0.0485 ( 10939 PWs) bands (ev):
************************************************************************
-123.5360-123.5323-121.5320-121.5300-121.4611-121.4598-110.6094-110.6092
-25.1994 -25.1974 -21.6306 -21.6275 -21.5402 -21.5392 -19.9203 -19.9193
-19.2477 -19.2476 -18.7962 -18.7941 -18.4427 -18.4414 -17.7561 -17.7560
-17.1932 -17.1920 -16.6698 -16.6696 -16.1911 -16.1891 -15.0003 -14.9924
-14.8424 -14.8411 -13.1318 -13.1253 -11.3263 -11.3242 -11.0456 -11.0445
-10.7037 -10.7021 -9.0373 -9.0328 -8.9718 -8.9659 -8.7140 -8.7029
-8.5269 -8.5211 -7.8219 -7.8167 -7.2916 -7.2716 -6.5565 -6.5542
-4.7896 -4.7767 -4.3854 -4.3755 -3.9970 -3.9923 -3.7176 -3.7067
-3.3959 -3.3568 -3.3259 -3.3054 -3.2155 -3.1942 -2.8344 -2.8239
-2.5236 -2.5001 -2.2270 -2.2202 -1.9700 -1.9603 -1.5075 -1.5036
-0.8394 -0.8085 -0.6675 -0.6103 0.1559 0.1823 0.1952 0.2339
0.4879 0.4998 0.5551 0.5781 0.6550 0.6622 0.8970 0.9170
1.3887 1.4121 1.5419 1.5968 1.6274 1.6984 1.7704 1.7885
2.1664 2.1925 2.8885 2.9246 3.1210 3.1848 3.4180 3.4828
4.0728 4.1228 5.1989 5.2659 5.5739 5.6361 5.7196 5.8344
5.9724 6.0270 6.1944 6.3066 6.3769 6.5000 6.6684 6.9797
7.3477 7.4484 7.5065 7.6164 7.7278 7.7970 8.0274 8.1379
8.1876 8.3050 8.3949 8.5053
k = 0.3148-0.2255-0.0515 ( 10940 PWs) bands (ev):
************************************************************************
-123.5382-123.5345-121.5321-121.5301-121.4612-121.4593-110.6094-110.6087
-25.2010 -25.1975 -21.6306 -21.6283 -21.5403 -21.5383 -19.9201 -19.9192
-19.2477 -19.2476 -18.7964 -18.7944 -18.4424 -18.4415 -17.7562 -17.7561
-17.1932 -17.1921 -16.6697 -16.6696 -16.1912 -16.1892 -15.0004 -14.9930
-14.8424 -14.8412 -13.1322 -13.1254 -11.3261 -11.3240 -11.0456 -11.0445
-10.7040 -10.7025 -9.0375 -9.0330 -8.9728 -8.9663 -8.7132 -8.7045
-8.5273 -8.5218 -7.8203 -7.8150 -7.2923 -7.2737 -6.5553 -6.5530
-4.7905 -4.7782 -4.3845 -4.3746 -4.0000 -3.9954 -3.7169 -3.7067
-3.3926 -3.3544 -3.3230 -3.3029 -3.2154 -3.1946 -2.8357 -2.8253
-2.5259 -2.5033 -2.2278 -2.2209 -1.9698 -1.9608 -1.5090 -1.5051
-0.8473 -0.8193 -0.6632 -0.6101 0.1563 0.1823 0.2008 0.2361
0.4843 0.4955 0.5582 0.5806 0.6546 0.6620 0.8983 0.9179
1.3865 1.4105 1.5449 1.5925 1.6354 1.7015 1.7703 1.7883
2.1704 2.1954 2.8841 2.9176 3.1228 3.1827 3.4210 3.4826
4.0715 4.1192 5.2145 5.2834 5.5632 5.6263 5.7236 5.8431
5.9716 6.0174 6.2101 6.3124 6.3849 6.5047 6.6692 6.9752
7.3512 7.4355 7.5060 7.6176 7.7339 7.8068 8.0296 8.1417
8.1824 8.2996 8.4030 8.5168
k = 0.3333-0.2387-0.0546 ( 10941 PWs) bands (ev):
************************************************************************
-123.5387-123.5362-121.5330-121.5317-121.4617-121.4607-110.6107-110.6093
-25.2012 -25.1989 -21.6324 -21.6310 -21.5392 -21.5380 -19.9199 -19.9190
-19.2476 -19.2476 -18.7966 -18.7948 -18.4435 -18.4418 -17.7563 -17.7562
-17.1932 -17.1921 -16.6696 -16.6695 -16.1912 -16.1894 -15.0009 -14.9939
-14.8424 -14.8412 -13.1325 -13.1264 -11.3258 -11.3239 -11.0457 -11.0445
-10.7037 -10.7023 -9.0375 -9.0324 -8.9730 -8.9663 -8.7126 -8.7048
-8.5277 -8.5224 -7.8188 -7.8135 -7.2930 -7.2752 -6.5541 -6.5518
-4.7913 -4.7797 -4.3836 -4.3737 -4.0028 -3.9984 -3.7161 -3.7068
-3.3889 -3.3521 -3.3202 -3.3007 -3.2155 -3.1954 -2.8367 -2.8265
-2.5278 -2.5064 -2.2285 -2.2217 -1.9696 -1.9613 -1.5103 -1.5066
-0.8547 -0.8296 -0.6589 -0.6100 0.1565 0.1815 0.2067 0.2386
0.4809 0.4913 0.5614 0.5828 0.6540 0.6616 0.8998 0.9186
1.3848 1.4086 1.5468 1.5865 1.6445 1.7047 1.7708 1.7886
2.1745 2.1981 2.8803 2.9109 3.1250 3.1804 3.4243 3.4820
4.0710 4.1158 5.2302 5.3006 5.5519 5.6161 5.7289 5.8512
5.9685 6.0082 6.2263 6.3181 6.3927 6.5081 6.6737 6.9693
7.3528 7.4229 7.5069 7.6180 7.7406 7.8157 8.0323 8.1449
8.1778 8.2930 8.4127 8.5285
k = 0.3519-0.2520-0.0576 ( 10942 PWs) bands (ev):
************************************************************************
-123.5405-123.5379-121.5332-121.5319-121.4621-121.4609-110.6098-110.6079
-25.2019 -25.1995 -21.6327 -21.6315 -21.5397 -21.5372 -19.9197 -19.9189
-19.2476 -19.2476 -18.7968 -18.7951 -18.4439 -18.4412 -17.7564 -17.7563
-17.1931 -17.1921 -16.6695 -16.6694 -16.1912 -16.1895 -15.0009 -14.9945
-14.8423 -14.8413 -13.1329 -13.1273 -11.3256 -11.3237 -11.0462 -11.0450
-10.7049 -10.7036 -9.0376 -9.0341 -8.9727 -8.9666 -8.7128 -8.7056
-8.5281 -8.5231 -7.8173 -7.8122 -7.2928 -7.2760 -6.5529 -6.5507
-4.7920 -4.7812 -4.3826 -4.3730 -4.0054 -4.0013 -3.7153 -3.7069
-3.3849 -3.3499 -3.3177 -3.2990 -3.2157 -3.1967 -2.8374 -2.8276
-2.5294 -2.5095 -2.2291 -2.2225 -1.9693 -1.9618 -1.5115 -1.5080
-0.8615 -0.8393 -0.6544 -0.6102 0.1566 0.1802 0.2128 0.2411
0.4777 0.4873 0.5648 0.5849 0.6535 0.6610 0.9013 0.9190
1.3834 1.4066 1.5476 1.5803 1.6532 1.7074 1.7721 1.7894
2.1786 2.2003 2.8767 2.9045 3.1274 3.1779 3.4278 3.4810
4.0710 4.1122 5.2461 5.3171 5.5403 5.6055 5.7353 5.8587
5.9632 6.0002 6.2425 6.3236 6.4002 6.5097 6.6822 6.9616
7.3526 7.4105 7.5096 7.6171 7.7479 7.8232 8.0356 8.1461
8.1748 8.2857 8.4234 8.5399
k = 0.3704-0.2653-0.0606 ( 10944 PWs) bands (ev):
************************************************************************
-123.5393-123.5373-121.5338-121.5326-121.4620-121.4607-110.6102-110.6085
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7.3506 7.3983 7.5145 7.6152 7.7554 7.8290 8.0392 8.1440
8.1754 8.2775 8.4350 8.5506
k = 0.3889-0.2785-0.0637 ( 10949 PWs) bands (ev):
************************************************************************
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1.3821 1.4021 1.5474 1.5688 1.6682 1.7097 1.7772 1.7922
2.1862 2.2036 2.8713 2.8926 3.1328 3.1721 3.4352 3.4775
4.0716 4.1044 5.2780 5.3466 5.5183 5.5831 5.7508 5.8682
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7.3474 7.3869 7.5207 7.6116 7.7636 7.8329 8.0437 8.1382
8.1789 8.2690 8.4471 8.5598
k = 0.4074-0.2918-0.0667 ( 10950 PWs) bands (ev):
************************************************************************
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1.3822 1.3997 1.5470 1.5639 1.6744 1.7091 1.7807 1.7939
2.1898 2.2047 2.8695 2.8871 3.1358 3.1690 3.4392 3.4751
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7.3440 7.3765 7.5283 7.6075 7.7727 7.8346 8.0491 8.1307
8.1842 8.2607 8.4597 8.5659
k = 0.4259-0.3051-0.0697 ( 10949 PWs) bands (ev):
************************************************************************
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7.3410 7.3670 7.5367 7.6020 7.7816 7.8345 8.0551 8.1222
8.1907 8.2524 8.4730 8.5662
k = 0.4444-0.3183-0.0727 ( 10954 PWs) bands (ev):
************************************************************************
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1.3836 1.3949 1.5464 1.5559 1.6847 1.7056 1.7881 1.7965
2.1960 2.2053 2.8676 2.8784 3.1419 3.1622 3.4469 3.4693
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5.9395 5.9695 6.3112 6.3417 6.4381 6.4898 6.7700 6.8960
7.3387 7.3581 7.5454 7.5957 7.7909 7.8326 8.0618 8.1133
8.1974 8.2438 8.4866 8.5614
k = 0.4630-0.3316-0.0758 ( 10960 PWs) bands (ev):
************************************************************************
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1.3848 1.3926 1.5466 1.5528 1.6890 1.7029 1.7913 1.7970
2.1987 2.2049 2.8676 2.8748 3.1451 3.1587 3.4507 3.4657
4.0780 4.0898 5.3362 5.3715 5.5025 5.5367 5.7941 5.8462
5.9422 5.9635 6.3209 6.3412 6.4467 6.4820 6.7920 6.8774
7.3381 7.3509 7.5543 7.5884 7.7998 7.8287 8.0694 8.1040
8.2044 8.2354 8.5001 8.5517
k = 0.4815-0.3448-0.0788 ( 10952 PWs) bands (ev):
************************************************************************
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1.3864 1.3904 1.5473 1.5504 1.6930 1.6999 1.7939 1.7968
2.2009 2.2041 2.8685 2.8722 3.1488 3.1556 3.4548 3.4624
4.0806 4.0866 5.3489 5.3673 5.5078 5.5260 5.8074 5.8340
5.9467 5.9578 6.3289 6.3390 6.4558 6.4737 6.8149 6.8579
7.3391 7.3454 7.5638 7.5813 7.8092 7.8237 8.0778 8.0953
8.2122 8.2277 8.5142 8.5405
k = 0.5000-0.3581-0.0818 ( 10954 PWs) bands (ev):
************************************************************************
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1.3883 1.3883 1.5485 1.5485 1.6965 1.6965 1.7958 1.7958
2.2027 2.2027 2.8700 2.8700 3.1522 3.1522 3.4588 3.4588
4.0835 4.0835 5.3596 5.3596 5.5160 5.5160 5.8208 5.8208
5.9521 5.9521 6.3349 6.3349 6.4647 6.4647 6.8365 6.8365
7.3415 7.3415 7.5726 7.5726 7.8169 7.8169 8.0863 8.0863
8.2199 8.2199 8.5276 8.5276
k = 0.5000-0.3581 0.4406 ( 10964 PWs) bands (ev):
************************************************************************
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1.4250 1.4250 1.6113 1.6113 1.6928 1.6928 1.7955 1.7955
2.1936 2.1936 2.8546 2.8546 3.1499 3.1499 3.4374 3.4374
4.0655 4.0655 5.3714 5.3714 5.5723 5.5723 5.7128 5.7128
6.1122 6.1122 6.2038 6.2038 6.4047 6.4047 6.8576 6.8576
7.4489 7.4489 7.5623 7.5623 7.8505 7.8505 8.1020 8.1020
8.2355 8.2355 8.4225 8.4225
k = 0.4848-0.3473 0.4273 ( 10966 PWs) bands (ev):
************************************************************************
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0.4200 0.4224 0.5932 0.5953 0.6524 0.6546 0.8155 0.8168
1.4236 1.4265 1.6100 1.6123 1.6897 1.6956 1.7935 1.7972
2.1915 2.1954 2.8513 2.8582 3.1423 3.1573 3.4341 3.4401
4.0631 4.0678 5.3631 5.3782 5.5666 5.5789 5.7052 5.7209
6.1046 6.1176 6.1991 6.2092 6.3886 6.4205 6.8454 6.8697
7.4457 7.4516 7.5576 7.5669 7.8429 7.8575 8.0964 8.1068
8.2279 8.2433 8.4151 8.4298
k = 0.4697-0.3364 0.4139 ( 10967 PWs) bands (ev):
************************************************************************
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1.4224 1.4281 1.6083 1.6131 1.6863 1.6979 1.7916 1.7988
2.1891 2.1968 2.8487 2.8625 3.1346 3.1644 3.4310 3.4433
4.0612 4.0705 5.3539 5.3833 5.5617 5.5860 5.6987 5.7297
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7.4426 7.4543 7.5529 7.5712 7.8351 7.8638 8.0906 8.1108
8.2204 8.2513 8.4077 8.4366
k = 0.4545-0.3255 0.4006 ( 10966 PWs) bands (ev):
************************************************************************
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k = 0.4394-0.3147 0.3872 ( 10964 PWs) bands (ev):
************************************************************************
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k = 0.4242-0.3038 0.3739 ( 10965 PWs) bands (ev):
************************************************************************
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8.1969 8.2786 8.3857 8.4556
k = 0.4091-0.2930 0.3605 ( 10970 PWs) bands (ev):
************************************************************************
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k = 0.3939-0.2821 0.3472 ( 10973 PWs) bands (ev):
************************************************************************
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8.1793 8.2988 8.3722 8.4667
k = 0.3788-0.2713 0.3338 ( 10972 PWs) bands (ev):
************************************************************************
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8.1707 8.3094 8.3665 8.4718
k = 0.3636-0.2604 0.3205 ( 10973 PWs) bands (ev):
************************************************************************
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8.1635 8.3195 8.3615 8.4763
k = 0.3485-0.2496 0.3071 ( 10962 PWs) bands (ev):
************************************************************************
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8.1592 8.3296 8.3574 8.4810
k = 0.3333-0.2387 0.2938 ( 10959 PWs) bands (ev):
************************************************************************
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8.1572 8.3383 8.3539 8.4846
k = 0.3182-0.2279 0.2804 ( 10956 PWs) bands (ev):
************************************************************************
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8.1572 8.3444 8.3527 8.4870
k = 0.3030-0.2170 0.2671 ( 10956 PWs) bands (ev):
************************************************************************
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7.4151 7.4845 7.5096 7.6002 7.7486 7.8429 8.0632 8.1071
8.1583 8.3456 8.3556 8.4890
k = 0.2879-0.2062 0.2537 ( 10965 PWs) bands (ev):
************************************************************************
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7.4106 7.4863 7.5083 7.6002 7.7403 7.8342 8.0615 8.1029
8.1593 8.3446 8.3594 8.4898
k = 0.2727-0.1953 0.2403 ( 10962 PWs) bands (ev):
************************************************************************
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************************************************************************
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************************************************************************
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************************************************************************
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************************************************************************
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k = 0.1970-0.1411 0.1736 ( 10955 PWs) bands (ev):
************************************************************************
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k = 0.1818-0.1302 0.1602 ( 10956 PWs) bands (ev):
************************************************************************
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k = 0.1667-0.1194 0.1469 ( 10956 PWs) bands (ev):
************************************************************************
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k = 0.1515-0.1085 0.1335 ( 10961 PWs) bands (ev):
************************************************************************
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k = 0.1364-0.0977 0.1202 ( 10957 PWs) bands (ev):
************************************************************************
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k = 0.1212-0.0868 0.1068 ( 10959 PWs) bands (ev):
************************************************************************
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k = 0.1061-0.0760 0.0935 ( 10962 PWs) bands (ev):
************************************************************************
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-3.4210 -3.3898 -3.3544 -3.3379 -3.2267 -3.2179 -2.8014 -2.7955
-2.4935 -2.4760 -2.2269 -2.2231 -1.9695 -1.9571 -1.4936 -1.4910
-0.7621 -0.7258 -0.6665 -0.6128 0.1262 0.1418 0.2140 0.2250
0.5162 0.5268 0.5396 0.5460 0.6496 0.6578 0.8855 0.8968
1.4085 1.4297 1.4649 1.4806 1.7041 1.7213 1.7775 1.7906
2.1335 2.1566 2.9400 2.9742 3.1209 3.1746 3.4119 3.4544
4.1073 4.1429 5.0918 5.1132 5.6178 5.6652 5.7546 5.8028
5.9008 5.9851 6.1507 6.2445 6.3398 6.4670 6.8065 6.8979
7.3463 7.4316 7.5787 7.5866 7.6610 7.7464 8.0451 8.1018
8.1923 8.2982 8.3890 8.4627
k = 0.0909-0.0651 0.0801 ( 10952 PWs) bands (ev):
************************************************************************
-123.5422-123.5402-121.5343-121.5322-121.4614-121.4588-110.6111-110.6092
-25.2049 -25.2020 -21.6417 -21.6398 -21.5480 -21.5449 -19.9219 -19.9213
-19.2481 -19.2480 -18.7930 -18.7919 -18.4564 -18.4527 -17.7552 -17.7551
-17.1931 -17.1923 -16.6707 -16.6705 -16.1894 -16.1883 -15.0010 -14.9969
-14.8421 -14.8412 -13.1319 -13.1276 -11.3284 -11.3268 -11.0462 -11.0452
-10.7059 -10.7053 -9.0379 -9.0334 -8.9735 -8.9692 -8.7161 -8.7116
-8.5191 -8.5146 -7.8385 -7.8368 -7.2749 -7.2667 -6.5694 -6.5681
-4.7740 -4.7671 -4.3904 -4.3834 -3.9684 -3.9620 -3.7097 -3.7038
-3.4176 -3.3882 -3.3547 -3.3395 -3.2273 -3.2196 -2.8017 -2.7966
-2.4901 -2.4747 -2.2261 -2.2225 -1.9688 -1.9577 -1.4923 -1.4900
-0.7586 -0.7272 -0.6599 -0.6134 0.1244 0.1378 0.2139 0.2233
0.5202 0.5295 0.5403 0.5474 0.6483 0.6561 0.8879 0.8978
1.4042 1.4244 1.4643 1.4780 1.7070 1.7213 1.7785 1.7900
2.1338 2.1539 2.9455 2.9758 3.1259 3.1721 3.4135 3.4513
4.1110 4.1424 5.0855 5.1040 5.6173 5.6572 5.7591 5.7998
5.9038 5.9789 6.1614 6.2420 6.3467 6.4588 6.8125 6.8929
7.3460 7.4226 7.5848 7.5877 7.6597 7.7385 8.0485 8.0992
8.1971 8.2889 8.3940 8.4584
k = 0.0758-0.0543 0.0668 ( 10954 PWs) bands (ev):
************************************************************************
-123.5431-123.5416-121.5345-121.5331-121.4614-121.4592-110.6104-110.6094
-25.2046 -25.2018 -21.6436 -21.6422 -21.5494 -21.5462 -19.9219 -19.9215
-19.2481 -19.2480 -18.7928 -18.7919 -18.4560 -18.4535 -17.7551 -17.7551
-17.1930 -17.1924 -16.6707 -16.6706 -16.1893 -16.1884 -15.0020 -14.9983
-14.8422 -14.8414 -13.1327 -13.1290 -11.3283 -11.3270 -11.0470 -11.0461
-10.7073 -10.7067 -9.0391 -9.0348 -8.9735 -8.9712 -8.7164 -8.7125
-8.5190 -8.5152 -7.8391 -7.8377 -7.2753 -7.2677 -6.5699 -6.5688
-4.7730 -4.7671 -4.3901 -4.3842 -3.9673 -3.9618 -3.7114 -3.7065
-3.4139 -3.3870 -3.3550 -3.3413 -3.2277 -3.2212 -2.8020 -2.7977
-2.4870 -2.4739 -2.2253 -2.2220 -1.9680 -1.9585 -1.4912 -1.4893
-0.7554 -0.7291 -0.6533 -0.6144 0.1228 0.1341 0.2139 0.2218
0.5234 0.5313 0.5416 0.5489 0.6472 0.6544 0.8900 0.8985
1.4005 1.4188 1.4644 1.4760 1.7096 1.7211 1.7796 1.7894
2.1343 2.1513 2.9504 2.9764 3.1306 3.1692 3.4151 3.4476
4.1143 4.1412 5.0799 5.0956 5.6165 5.6495 5.7636 5.7973
5.9071 5.9717 6.1715 6.2387 6.3542 6.4496 6.8182 6.8866
7.3468 7.4130 7.5868 7.5902 7.6596 7.7299 8.0520 8.0958
8.2019 8.2792 8.3987 8.4537
k = 0.0606-0.0434 0.0534 ( 10957 PWs) bands (ev):
************************************************************************
-123.5461-123.5455-121.5347-121.5331-121.4613-121.4595-110.6129-110.6117
-25.2072 -25.2040 -21.6439 -21.6432 -21.5518 -21.5479 -19.9220 -19.9216
-19.2481 -19.2480 -18.7927 -18.7919 -18.4575 -18.4559 -17.7551 -17.7551
-17.1929 -17.1924 -16.6707 -16.6706 -16.1892 -16.1884 -15.0024 -14.9994
-14.8421 -14.8415 -13.1336 -13.1299 -11.3282 -11.3271 -11.0466 -11.0459
-10.7079 -10.7074 -9.0394 -9.0345 -8.9744 -8.9722 -8.7177 -8.7136
-8.5188 -8.5158 -7.8396 -7.8385 -7.2753 -7.2683 -6.5703 -6.5695
-4.7720 -4.7673 -4.3897 -4.3849 -3.9662 -3.9618 -3.7128 -3.7088
-3.4099 -3.3866 -3.3552 -3.3432 -3.2279 -3.2227 -2.8023 -2.7988
-2.4840 -2.4734 -2.2245 -2.2217 -1.9671 -1.9593 -1.4902 -1.4887
-0.7524 -0.7313 -0.6471 -0.6159 0.1216 0.1307 0.2142 0.2205
0.5259 0.5324 0.5433 0.5504 0.6463 0.6527 0.8919 0.8988
1.3978 1.4132 1.4649 1.4743 1.7119 1.7209 1.7807 1.7887
2.1351 2.1488 2.9550 2.9763 3.1352 3.1660 3.4170 3.4435
4.1173 4.1393 5.0754 5.0881 5.6161 5.6423 5.7683 5.7950
5.9111 5.9640 6.1816 6.2353 6.3623 6.4402 6.8244 6.8800
7.3489 7.4035 7.5878 7.5933 7.6617 7.7214 8.0557 8.0921
8.2072 8.2698 8.4038 8.4487
k = 0.0455-0.0326 0.0401 ( 10957 PWs) bands (ev):
************************************************************************
-123.5456-123.5451-121.5351-121.5332-121.4627-121.4604-110.6114-110.6100
-25.2073 -25.2037 -21.6443 -21.6435 -21.5531 -21.5490 -19.9220 -19.9217
-19.2481 -19.2480 -18.7925 -18.7919 -18.4568 -18.4551 -17.7550 -17.7550
-17.1928 -17.1925 -16.6708 -16.6707 -16.1891 -16.1885 -15.0028 -15.0004
-14.8421 -14.8417 -13.1344 -13.1306 -11.3281 -11.3273 -11.0468 -11.0462
-10.7083 -10.7079 -9.0394 -9.0344 -8.9742 -8.9723 -8.7176 -8.7141
-8.5185 -8.5162 -7.8399 -7.8391 -7.2744 -7.2686 -6.5706 -6.5700
-4.7711 -4.7675 -4.3893 -4.3857 -3.9652 -3.9619 -3.7138 -3.7108
-3.4057 -3.3870 -3.3548 -3.3451 -3.2279 -3.2239 -2.8024 -2.7998
-2.4814 -2.4733 -2.2238 -2.2216 -1.9662 -1.9602 -1.4894 -1.4882
-0.7495 -0.7337 -0.6412 -0.6178 0.1209 0.1278 0.2146 0.2193
0.5279 0.5328 0.5455 0.5514 0.6459 0.6510 0.8936 0.8989
1.3961 1.4080 1.4657 1.4729 1.7139 1.7205 1.7818 1.7879
2.1361 2.1465 2.9593 2.9757 3.1397 3.1629 3.4193 3.4397
4.1208 4.1375 5.0722 5.0817 5.6162 5.6359 5.7728 5.7928
5.9158 5.9561 6.1911 6.2312 6.3712 6.4304 6.8310 6.8729
7.3523 7.3943 7.5890 7.5948 7.6655 7.7125 8.0599 8.0877
8.2130 8.2603 8.4093 8.4435
k = 0.0303-0.0217 0.0267 ( 10952 PWs) bands (ev):
************************************************************************
-123.5438-123.5434-121.5343-121.5321-121.4595-121.4575-110.6107-110.6091
-25.2050 -25.2014 -21.6409 -21.6404 -21.5514 -21.5471 -19.9219 -19.9218
-19.2481 -19.2480 -18.7923 -18.7919 -18.4563 -18.4537 -17.7550 -17.7550
-17.1928 -17.1925 -16.6708 -16.6707 -16.1890 -16.1886 -15.0006 -14.9990
-14.8420 -14.8417 -13.1321 -13.1285 -11.3280 -11.3274 -11.0453 -11.0448
-10.7054 -10.7052 -9.0372 -9.0328 -8.9712 -8.9705 -8.7138 -8.7115
-8.5181 -8.5165 -7.8401 -7.8395 -7.2729 -7.2681 -6.5707 -6.5703
-4.7703 -4.7679 -4.3888 -4.3864 -3.9643 -3.9621 -3.7144 -3.7124
-3.4016 -3.3885 -3.3540 -3.3471 -3.2277 -3.2250 -2.8024 -2.8006
-2.4791 -2.4737 -2.2231 -2.2216 -1.9652 -1.9612 -1.4888 -1.4880
-0.7466 -0.7361 -0.6358 -0.6202 0.1208 0.1254 0.2151 0.2183
0.5294 0.5327 0.5477 0.5520 0.6458 0.6494 0.8951 0.8986
1.3955 1.4036 1.4667 1.4715 1.7156 1.7200 1.7829 1.7870
2.1373 2.1443 2.9633 2.9745 3.1441 3.1596 3.4220 3.4359
4.1239 4.1353 5.0704 5.0769 5.6172 5.6303 5.7772 5.7905
5.9213 5.9484 6.2003 6.2269 6.3807 6.4206 6.8383 6.8663
7.3575 7.3857 7.5906 7.5952 7.6714 7.7039 8.0645 8.0831
8.2197 8.2513 8.4152 8.4382
k = 0.0152-0.0109 0.0134 ( 10951 PWs) bands (ev):
************************************************************************
-123.5448-123.5442-121.5334-121.5317-121.4592-121.4575-110.6111-110.6103
-25.2048 -25.2017 -21.6421 -21.6408 -21.5506 -21.5475 -19.9219 -19.9218
-19.2480 -19.2480 -18.7922 -18.7920 -18.4555 -18.4538 -17.7550 -17.7549
-17.1927 -17.1926 -16.6708 -16.6707 -16.1889 -16.1887 -15.0001 -14.9992
-14.8419 -14.8418 -13.1320 -13.1290 -11.3279 -11.3276 -11.0435 -11.0432
-10.7057 -10.7056 -9.0354 -9.0324 -8.9709 -8.9705 -8.7138 -8.7127
-8.5178 -8.5169 -7.8402 -7.8399 -7.2720 -7.2693 -6.5708 -6.5706
-4.7696 -4.7683 -4.3883 -4.3870 -3.9636 -3.9624 -3.7146 -3.7136
-3.3976 -3.3908 -3.3526 -3.3491 -3.2273 -3.2260 -2.8022 -2.8014
-2.4772 -2.4744 -2.2225 -2.2218 -1.9643 -1.9622 -1.4883 -1.4879
-0.7439 -0.7387 -0.6311 -0.6232 0.1211 0.1234 0.2157 0.2173
0.5306 0.5323 0.5496 0.5518 0.6462 0.6481 0.8963 0.8981
1.3959 1.4001 1.4678 1.4702 1.7171 1.7192 1.7840 1.7861
2.1388 2.1423 2.9669 2.9726 3.1483 3.1560 3.4252 3.4322
4.1269 4.1326 5.0699 5.0732 5.6191 5.6256 5.7811 5.7878
5.9274 5.9411 6.2082 6.2215 6.3904 6.4105 6.8449 6.8592
7.3632 7.3775 7.5920 7.5947 7.6784 7.6951 8.0692 8.0785
8.2270 8.2427 8.4210 8.4324
k = 0.0000 0.0000 0.0000 ( 10945 PWs) bands (ev):
************************************************************************
-123.5430-123.5430-121.5310-121.5310-121.4574-121.4574-110.6091-110.6091
-25.2001 -25.2001 -21.6371 -21.6371 -21.5456 -21.5456 -19.9219 -19.9219
-19.2480 -19.2480 -18.7920 -18.7920 -18.4515 -18.4515 -17.7549 -17.7549
-17.1926 -17.1926 -16.6708 -16.6708 -16.1888 -16.1888 -14.9984 -14.9984
-14.8418 -14.8418 -13.1295 -13.1295 -11.3277 -11.3277 -11.0414 -11.0414
-10.7042 -10.7042 -9.0328 -9.0328 -8.9692 -8.9692 -8.7123 -8.7123
-8.5173 -8.5173 -7.8400 -7.8400 -7.2688 -7.2688 -6.5706 -6.5706
-4.7689 -4.7689 -4.3876 -4.3876 -3.9629 -3.9629 -3.7143 -3.7143
-3.3939 -3.3939 -3.3509 -3.3509 -3.2267 -3.2267 -2.8019 -2.8019
-2.4756 -2.4756 -2.2221 -2.2221 -1.9632 -1.9632 -1.4880 -1.4880
-0.7412 -0.7412 -0.6268 -0.6268 0.1220 0.1220 0.2165 0.2165
0.5316 0.5316 0.5510 0.5510 0.6470 0.6470 0.8973 0.8973
1.3975 1.3975 1.4690 1.4690 1.7183 1.7183 1.7851 1.7851
2.1405 2.1405 2.9703 2.9703 3.1523 3.1523 3.4289 3.4289
4.1301 4.1301 5.0711 5.0711 5.6219 5.6219 5.7848 5.7848
5.9342 5.9342 6.2156 6.2156 6.4005 6.4005 6.8522 6.8522
7.3701 7.3701 7.5937 7.5937 7.6867 7.6867 8.0742 8.0742
8.2348 8.2348 8.4271 8.4271
Writing output data file Tl2C3O4.save
init_run : 1.68s CPU 1.06s WALL ( 1 calls)
electrons : 3400.08s CPU 3208.22s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.07s CPU 0.07s WALL ( 1 calls)
potinit : 0.22s CPU 0.14s WALL ( 1 calls)
Called by electrons:
c_bands : 3400.06s CPU 3208.20s WALL ( 1 calls)
v_of_rho : 0.04s CPU 0.02s WALL ( 1 calls)
v_h : 0.02s CPU 0.01s WALL ( 1 calls)
v_xc : 0.02s CPU 0.02s WALL ( 1 calls)
newd : 0.30s CPU 0.18s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.32s CPU 0.32s WALL ( 239 calls)
cegterg : 3247.26s CPU 3114.06s WALL ( 1193 calls)
Called by sum_band:
Called by *egterg:
h_psi : 1572.14s CPU 1378.80s WALL ( 21586 calls)
s_psi : 95.32s CPU 93.06s WALL ( 21586 calls)
g_psi : 1.94s CPU 2.02s WALL ( 20154 calls)
cdiaghg : 1354.43s CPU 1356.76s WALL ( 20393 calls)
cegterg:over : 160.84s CPU 161.02s WALL ( 20154 calls)
cegterg:upda : 97.11s CPU 97.09s WALL ( 20154 calls)
cegterg:last : 59.62s CPU 59.46s WALL ( 2866 calls)
cdiaghg:chol : 54.80s CPU 55.66s WALL ( 20393 calls)
cdiaghg:inve : 45.22s CPU 45.36s WALL ( 20393 calls)
cdiaghg:para : 97.86s CPU 100.54s WALL ( 40786 calls)
Called by h_psi:
h_psi:vloc : 1378.64s CPU 1189.23s WALL ( 21586 calls)
h_psi:vnl : 190.98s CPU 187.03s WALL ( 21586 calls)
add_vuspsi : 92.34s CPU 89.65s WALL ( 21586 calls)
General routines
calbec : 98.54s CPU 97.31s WALL ( 21586 calls)
fft : 0.10s CPU 0.06s WALL ( 19 calls)
ffts : 0.03s CPU 0.02s WALL ( 4 calls)
fftw : 1328.46s CPU 1138.35s WALL ( 4944340 calls)
interpolate : 0.05s CPU 0.02s WALL ( 4 calls)
davcio : 0.43s CPU 3.37s WALL ( 478 calls)
Parallel routines
fft_scatter : 792.32s CPU 812.19s WALL ( 4944363 calls)
PWSCF : 58m27.08s CPU 55m52.54s WALL
This run was terminated on: 4: 7:56 21Mar2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=