Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 3:29
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 36 processors
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./K3BrO.save/
file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized
file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 69 43 12 2609 1261 196
Max 70 44 13 2612 1283 201
Sum 2501 1549 437 93981 45769 7123
bravais-lattice index = 14
lattice parameter (alat) = 9.8511 a.u.
unit-cell volume = 956.0039 (a.u.)^3
number of atoms/cell = 5
number of atomic types = 3
number of electrons = 40.00
number of Kohn-Sham states= 48
kinetic-energy cutoff = 50.0000 Ry
charge density cutoff = 324.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 9.851142 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.000000 1.000000 0.000000 )
a(3) = ( 0.000000 0.000000 1.000000 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.000000 -0.000000 )
b(2) = ( 0.000000 1.000000 -0.000000 )
b(3) = ( 0.000000 0.000000 1.000000 )
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 Br read from file:
/users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 5d639767687de88634f0d235e6526498
Pseudo is Ultrasoft + core correction, Zval = 7.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1213 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for K read from file:
/users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0
Pseudo is Ultrasoft + core correction, Zval = 9.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1165 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
O 6.00 15.99940 O( 1.00)
Br 7.00 79.90400 Br( 1.00)
K 9.00 39.09830 K( 1.00)
48 Sym. Ops., with inversion, found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [0,0,1]
cryst. s( 2) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 1 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 3 180 deg rotation - cart. axis [0,1,0]
cryst. s( 3) = ( -1 0 0 )
( 0 1 0 )
( 0 0 -1 )
cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 4 180 deg rotation - cart. axis [1,0,0]
cryst. s( 4) = ( 1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 5 180 deg rotation - cart. axis [1,1,0]
cryst. s( 5) = ( 0 1 0 )
( 1 0 0 )
( 0 0 -1 )
cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 6 180 deg rotation - cart. axis [1,-1,0]
cryst. s( 6) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 -1 )
cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 90 deg rotation - cart. axis [0,0,-1]
cryst. s( 7) = ( 0 -1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 8 90 deg rotation - cart. axis [0,0,1]
cryst. s( 8) = ( 0 1 0 )
( -1 0 0 )
( 0 0 1 )
cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 9 180 deg rotation - cart. axis [1,0,1]
cryst. s( 9) = ( 0 0 1 )
( 0 -1 0 )
( 1 0 0 )
cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 0 0 -1 )
( 0 -1 0 )
( -1 0 0 )
cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 )
( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 11 90 deg rotation - cart. axis [0,1,0]
cryst. s(11) = ( 0 0 -1 )
( 0 1 0 )
( 1 0 0 )
cart. s(11) = ( -0.0000000 0.0000000 1.0000000 )
( -0.0000000 1.0000000 -0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 12 90 deg rotation - cart. axis [0,-1,0]
cryst. s(12) = ( 0 0 1 )
( 0 1 0 )
( -1 0 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( -1 0 0 )
( 0 0 -1 )
( 0 -1 0 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 1 0 0 )
( 0 0 -1 )
( 0 1 0 )
cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 0 0 )
( 0 0 1 )
( 0 -1 0 )
cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 0 -1 )
( -1 0 0 )
( 0 1 0 )
cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 )
( -0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 0 0 -1 )
( 1 0 0 )
( 0 -1 0 )
cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 )
( -0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 120 deg rotation - cart. axis [1,-1,1]
cryst. s(20) = ( 0 0 1 )
( -1 0 0 )
( 0 -1 0 )
cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 22 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(22) = ( 0 -1 0 )
( 0 0 -1 )
( 1 0 0 )
cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 -1 0 )
( 0 0 1 )
( -1 0 0 )
cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 0 1 0 )
( 0 0 -1 )
( -1 0 0 )
cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(26) = ( 1 0 0 )
( 0 1 0 )
( 0 0 -1 )
cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(27) = ( 1 0 0 )
( 0 -1 0 )
( 0 0 1 )
cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(28) = ( -1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s(28) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 29 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(29) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 1 )
cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 1 0 )
( -1 0 0 )
( 0 0 -1 )
cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( 0 -1 0 )
( 1 0 0 )
( 0 0 -1 )
cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(33) = ( 0 0 -1 )
( 0 1 0 )
( -1 0 0 )
cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 )
( -0.0000000 1.0000000 -0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s(34) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(34) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 0 1 )
( 0 -1 0 )
( -1 0 0 )
cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 0 -1 )
( 0 -1 0 )
( 1 0 0 )
cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 )
( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(37) = ( 1 0 0 )
( 0 0 -1 )
( 0 -1 0 )
cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( -1 0 0 )
( 0 0 1 )
( 0 -1 0 )
cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 0 0 )
( 0 0 -1 )
( 0 1 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 0 0 -1 )
( -1 0 0 )
( 0 -1 0 )
cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 )
( -0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 0 1 )
( 1 0 0 )
( 0 -1 0 )
cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( 0 0 1 )
( -1 0 0 )
( 0 1 0 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 0 -1 )
( 1 0 0 )
( 0 1 0 )
cart. s(44) = ( -0.0000000 1.0000000 0.0000000 )
( -0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 -1 0 )
( 0 0 -1 )
( -1 0 0 )
cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 0 1 0 )
( 0 0 1 )
( -1 0 0 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 1 0 )
( 0 0 -1 )
( 1 0 0 )
cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( 0 -1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(48) = ( -0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
double point group O_h (m-3m)
there are 16 classes and 6 irreducible representations
the character table:
E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6
-3C2 -6C2'
G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00
G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00
G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00
G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00
G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00
G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00
3s_h 6S4 -6S4 6s_d
-3s_h -6s_d
G_6+ 0.00 1.41 -1.41 0.00
G_7+ 0.00 -1.41 1.41 0.00
G_8+ 0.00 0.00 0.00 0.00
G_6- 0.00 -1.41 1.41 0.00
G_7- 0.00 1.41 -1.41 0.00
G_8- 0.00 0.00 0.00 0.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
8C3 17 19 20 18 24 21 22 23
120 deg rotation - cart. axis [-1,-1,-1]
-8C3 -17 -19 -20 -18 -24 -21 -22 -23
120 deg rotation - cart. axis [-1,-1,-1] E
3C2 -3C2 2 -2 4 -4 3 -3
180 deg rotation - cart. axis [0,0,1]
6C4 7 8 15 16 12 11
90 deg rotation - cart. axis [0,0,-1]
-6C4 -7 -8 -15 -16 -12 -11
90 deg rotation - cart. axis [0,0,-1] E
6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9
180 deg rotation - cart. axis [1,1,0]
i 25
inversion
-i -25
inversion E
8S6 41 43 44 42 48 45 46 47
inv. 120 deg rotation - cart. axis [-1,-1,-1]
-8S6 -41 -43 -44 -42 -48 -45 -46 -47
inv. 120 deg rotation - cart. axis [-1,-1,-1] E
3s_h-3s_h 26 -26 28 -28 27 -27
inv. 180 deg rotation - cart. axis [0,0,1]
6S4 31 32 39 40 36 35
inv. 90 deg rotation - cart. axis [0,0,-1]
-6S4 -31 -32 -39 -40 -36 -35
inv. 90 deg rotation - cart. axis [0,0,-1] E
6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33
inv. 180 deg rotation - cart. axis [1,1,0]
Cartesian axes
number of k points= 238 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017
k( 2) = ( 0.0000000 0.0161290 -0.0000000), wk = 0.0042017
k( 3) = ( 0.0000000 0.0322581 -0.0000000), wk = 0.0042017
k( 4) = ( 0.0000000 0.0483871 -0.0000000), wk = 0.0042017
k( 5) = ( 0.0000000 0.0645161 -0.0000000), wk = 0.0042017
k( 6) = ( 0.0000000 0.0806452 -0.0000000), wk = 0.0042017
k( 7) = ( 0.0000000 0.0967742 -0.0000000), wk = 0.0042017
k( 8) = ( 0.0000000 0.1129032 -0.0000000), wk = 0.0042017
k( 9) = ( 0.0000000 0.1290323 -0.0000000), wk = 0.0042017
k( 10) = ( 0.0000000 0.1451613 -0.0000000), wk = 0.0042017
k( 11) = ( 0.0000000 0.1612903 -0.0000000), wk = 0.0042017
k( 12) = ( 0.0000000 0.1774194 -0.0000000), wk = 0.0042017
k( 13) = ( 0.0000000 0.1935484 -0.0000000), wk = 0.0042017
k( 14) = ( 0.0000000 0.2096774 -0.0000000), wk = 0.0042017
k( 15) = ( 0.0000000 0.2258064 -0.0000000), wk = 0.0042017
k( 16) = ( 0.0000000 0.2419355 -0.0000000), wk = 0.0042017
k( 17) = ( 0.0000000 0.2580645 -0.0000000), wk = 0.0042017
k( 18) = ( 0.0000000 0.2741936 -0.0000000), wk = 0.0042017
k( 19) = ( 0.0000000 0.2903226 -0.0000000), wk = 0.0042017
k( 20) = ( 0.0000000 0.3064516 -0.0000000), wk = 0.0042017
k( 21) = ( 0.0000000 0.3225807 -0.0000000), wk = 0.0042017
k( 22) = ( 0.0000000 0.3387097 -0.0000000), wk = 0.0042017
k( 23) = ( 0.0000000 0.3548387 -0.0000000), wk = 0.0042017
k( 24) = ( 0.0000000 0.3709677 -0.0000000), wk = 0.0042017
k( 25) = ( 0.0000000 0.3870968 -0.0000000), wk = 0.0042017
k( 26) = ( 0.0000000 0.4032258 -0.0000000), wk = 0.0042017
k( 27) = ( 0.0000000 0.4193548 -0.0000000), wk = 0.0042017
k( 28) = ( 0.0000000 0.4354839 -0.0000000), wk = 0.0042017
k( 29) = ( 0.0000000 0.4516129 -0.0000000), wk = 0.0042017
k( 30) = ( 0.0000000 0.4677419 -0.0000000), wk = 0.0042017
k( 31) = ( 0.0000000 0.4838710 -0.0000000), wk = 0.0042017
k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042017
k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042017
k( 34) = ( 0.0161290 0.5000000 -0.0000000), wk = 0.0042017
k( 35) = ( 0.0322581 0.5000000 -0.0000000), wk = 0.0042017
k( 36) = ( 0.0483871 0.5000000 -0.0000000), wk = 0.0042017
k( 37) = ( 0.0645161 0.5000000 -0.0000000), wk = 0.0042017
k( 38) = ( 0.0806452 0.5000000 -0.0000000), wk = 0.0042017
k( 39) = ( 0.0967742 0.5000000 -0.0000000), wk = 0.0042017
k( 40) = ( 0.1129032 0.5000000 -0.0000000), wk = 0.0042017
k( 41) = ( 0.1290323 0.5000000 -0.0000000), wk = 0.0042017
k( 42) = ( 0.1451613 0.5000000 -0.0000000), wk = 0.0042017
k( 43) = ( 0.1612903 0.5000000 -0.0000000), wk = 0.0042017
k( 44) = ( 0.1774194 0.5000000 -0.0000000), wk = 0.0042017
k( 45) = ( 0.1935484 0.5000000 -0.0000000), wk = 0.0042017
k( 46) = ( 0.2096774 0.5000000 -0.0000000), wk = 0.0042017
k( 47) = ( 0.2258064 0.5000000 -0.0000000), wk = 0.0042017
k( 48) = ( 0.2419355 0.5000000 -0.0000000), wk = 0.0042017
k( 49) = ( 0.2580645 0.5000000 -0.0000000), wk = 0.0042017
k( 50) = ( 0.2741936 0.5000000 -0.0000000), wk = 0.0042017
k( 51) = ( 0.2903226 0.5000000 -0.0000000), wk = 0.0042017
k( 52) = ( 0.3064516 0.5000000 -0.0000000), wk = 0.0042017
k( 53) = ( 0.3225807 0.5000000 -0.0000000), wk = 0.0042017
k( 54) = ( 0.3387097 0.5000000 -0.0000000), wk = 0.0042017
k( 55) = ( 0.3548387 0.5000000 -0.0000000), wk = 0.0042017
k( 56) = ( 0.3709677 0.5000000 -0.0000000), wk = 0.0042017
k( 57) = ( 0.3870968 0.5000000 -0.0000000), wk = 0.0042017
k( 58) = ( 0.4032258 0.5000000 -0.0000000), wk = 0.0042017
k( 59) = ( 0.4193548 0.5000000 -0.0000000), wk = 0.0042017
k( 60) = ( 0.4354839 0.5000000 -0.0000000), wk = 0.0042017
k( 61) = ( 0.4516129 0.5000000 -0.0000000), wk = 0.0042017
k( 62) = ( 0.4677419 0.5000000 -0.0000000), wk = 0.0042017
k( 63) = ( 0.4838710 0.5000000 -0.0000000), wk = 0.0042017
k( 64) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042017
k( 65) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042017
k( 66) = ( 0.4883721 0.4883721 -0.0000000), wk = 0.0042017
k( 67) = ( 0.4767442 0.4767442 -0.0000000), wk = 0.0042017
k( 68) = ( 0.4651163 0.4651163 -0.0000000), wk = 0.0042017
k( 69) = ( 0.4534884 0.4534884 -0.0000000), wk = 0.0042017
k( 70) = ( 0.4418605 0.4418605 -0.0000000), wk = 0.0042017
k( 71) = ( 0.4302326 0.4302326 -0.0000000), wk = 0.0042017
k( 72) = ( 0.4186047 0.4186046 -0.0000000), wk = 0.0042017
k( 73) = ( 0.4069767 0.4069767 -0.0000000), wk = 0.0042017
k( 74) = ( 0.3953488 0.3953488 -0.0000000), wk = 0.0042017
k( 75) = ( 0.3837209 0.3837209 -0.0000000), wk = 0.0042017
k( 76) = ( 0.3720930 0.3720930 -0.0000000), wk = 0.0042017
k( 77) = ( 0.3604651 0.3604651 -0.0000000), wk = 0.0042017
k( 78) = ( 0.3488372 0.3488372 -0.0000000), wk = 0.0042017
k( 79) = ( 0.3372093 0.3372093 -0.0000000), wk = 0.0042017
k( 80) = ( 0.3255814 0.3255814 -0.0000000), wk = 0.0042017
k( 81) = ( 0.3139535 0.3139535 -0.0000000), wk = 0.0042017
k( 82) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0042017
k( 83) = ( 0.2906977 0.2906977 -0.0000000), wk = 0.0042017
k( 84) = ( 0.2790698 0.2790698 -0.0000000), wk = 0.0042017
k( 85) = ( 0.2674419 0.2674419 -0.0000000), wk = 0.0042017
k( 86) = ( 0.2558140 0.2558140 -0.0000000), wk = 0.0042017
k( 87) = ( 0.2441860 0.2441860 -0.0000000), wk = 0.0042017
k( 88) = ( 0.2325581 0.2325581 -0.0000000), wk = 0.0042017
k( 89) = ( 0.2209302 0.2209302 -0.0000000), wk = 0.0042017
k( 90) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0042017
k( 91) = ( 0.1976744 0.1976744 -0.0000000), wk = 0.0042017
k( 92) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0042017
k( 93) = ( 0.1744186 0.1744186 -0.0000000), wk = 0.0042017
k( 94) = ( 0.1627907 0.1627907 -0.0000000), wk = 0.0042017
k( 95) = ( 0.1511628 0.1511628 -0.0000000), wk = 0.0042017
k( 96) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0042017
k( 97) = ( 0.1279070 0.1279070 -0.0000000), wk = 0.0042017
k( 98) = ( 0.1162791 0.1162791 -0.0000000), wk = 0.0042017
k( 99) = ( 0.1046512 0.1046512 -0.0000000), wk = 0.0042017
k( 100) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0042017
k( 101) = ( 0.0813954 0.0813953 -0.0000000), wk = 0.0042017
k( 102) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0042017
k( 103) = ( 0.0581395 0.0581395 -0.0000000), wk = 0.0042017
k( 104) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0042017
k( 105) = ( 0.0348837 0.0348837 -0.0000000), wk = 0.0042017
k( 106) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0042017
k( 107) = ( 0.0116279 0.0116279 -0.0000000), wk = 0.0042017
k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017
k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017
k( 110) = ( 0.0094340 0.0094340 0.0094340), wk = 0.0042017
k( 111) = ( 0.0188679 0.0188679 0.0188679), wk = 0.0042017
k( 112) = ( 0.0283019 0.0283019 0.0283019), wk = 0.0042017
k( 113) = ( 0.0377359 0.0377358 0.0377358), wk = 0.0042017
k( 114) = ( 0.0471698 0.0471698 0.0471698), wk = 0.0042017
k( 115) = ( 0.0566038 0.0566038 0.0566038), wk = 0.0042017
k( 116) = ( 0.0660377 0.0660377 0.0660377), wk = 0.0042017
k( 117) = ( 0.0754717 0.0754717 0.0754717), wk = 0.0042017
k( 118) = ( 0.0849057 0.0849057 0.0849057), wk = 0.0042017
k( 119) = ( 0.0943396 0.0943396 0.0943396), wk = 0.0042017
k( 120) = ( 0.1037736 0.1037736 0.1037736), wk = 0.0042017
k( 121) = ( 0.1132076 0.1132075 0.1132075), wk = 0.0042017
k( 122) = ( 0.1226415 0.1226415 0.1226415), wk = 0.0042017
k( 123) = ( 0.1320755 0.1320755 0.1320755), wk = 0.0042017
k( 124) = ( 0.1415094 0.1415094 0.1415094), wk = 0.0042017
k( 125) = ( 0.1509434 0.1509434 0.1509434), wk = 0.0042017
k( 126) = ( 0.1603774 0.1603774 0.1603774), wk = 0.0042017
k( 127) = ( 0.1698113 0.1698113 0.1698113), wk = 0.0042017
k( 128) = ( 0.1792453 0.1792453 0.1792453), wk = 0.0042017
k( 129) = ( 0.1886792 0.1886792 0.1886792), wk = 0.0042017
k( 130) = ( 0.1981132 0.1981132 0.1981132), wk = 0.0042017
k( 131) = ( 0.2075472 0.2075472 0.2075472), wk = 0.0042017
k( 132) = ( 0.2169811 0.2169811 0.2169811), wk = 0.0042017
k( 133) = ( 0.2264151 0.2264151 0.2264151), wk = 0.0042017
k( 134) = ( 0.2358491 0.2358491 0.2358491), wk = 0.0042017
k( 135) = ( 0.2452830 0.2452830 0.2452830), wk = 0.0042017
k( 136) = ( 0.2547170 0.2547170 0.2547170), wk = 0.0042017
k( 137) = ( 0.2641509 0.2641509 0.2641509), wk = 0.0042017
k( 138) = ( 0.2735849 0.2735849 0.2735849), wk = 0.0042017
k( 139) = ( 0.2830189 0.2830189 0.2830189), wk = 0.0042017
k( 140) = ( 0.2924528 0.2924528 0.2924528), wk = 0.0042017
k( 141) = ( 0.3018868 0.3018868 0.3018868), wk = 0.0042017
k( 142) = ( 0.3113207 0.3113207 0.3113207), wk = 0.0042017
k( 143) = ( 0.3207547 0.3207547 0.3207547), wk = 0.0042017
k( 144) = ( 0.3301887 0.3301887 0.3301887), wk = 0.0042017
k( 145) = ( 0.3396226 0.3396226 0.3396226), wk = 0.0042017
k( 146) = ( 0.3490566 0.3490566 0.3490566), wk = 0.0042017
k( 147) = ( 0.3584906 0.3584906 0.3584906), wk = 0.0042017
k( 148) = ( 0.3679245 0.3679245 0.3679245), wk = 0.0042017
k( 149) = ( 0.3773585 0.3773585 0.3773585), wk = 0.0042017
k( 150) = ( 0.3867925 0.3867924 0.3867924), wk = 0.0042017
k( 151) = ( 0.3962264 0.3962264 0.3962264), wk = 0.0042017
k( 152) = ( 0.4056604 0.4056604 0.4056604), wk = 0.0042017
k( 153) = ( 0.4150943 0.4150943 0.4150943), wk = 0.0042017
k( 154) = ( 0.4245283 0.4245283 0.4245283), wk = 0.0042017
k( 155) = ( 0.4339623 0.4339623 0.4339623), wk = 0.0042017
k( 156) = ( 0.4433962 0.4433962 0.4433962), wk = 0.0042017
k( 157) = ( 0.4528302 0.4528302 0.4528302), wk = 0.0042017
k( 158) = ( 0.4622641 0.4622641 0.4622641), wk = 0.0042017
k( 159) = ( 0.4716981 0.4716981 0.4716981), wk = 0.0042017
k( 160) = ( 0.4811321 0.4811321 0.4811321), wk = 0.0042017
k( 161) = ( 0.4905660 0.4905660 0.4905660), wk = 0.0042017
k( 162) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042017
k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042017
k( 164) = ( 0.4883721 0.5000000 0.4883721), wk = 0.0042017
k( 165) = ( 0.4767442 0.5000000 0.4767442), wk = 0.0042017
k( 166) = ( 0.4651163 0.5000000 0.4651163), wk = 0.0042017
k( 167) = ( 0.4534884 0.5000000 0.4534884), wk = 0.0042017
k( 168) = ( 0.4418605 0.5000000 0.4418605), wk = 0.0042017
k( 169) = ( 0.4302326 0.5000000 0.4302326), wk = 0.0042017
k( 170) = ( 0.4186047 0.5000000 0.4186046), wk = 0.0042017
k( 171) = ( 0.4069767 0.5000000 0.4069767), wk = 0.0042017
k( 172) = ( 0.3953488 0.5000000 0.3953488), wk = 0.0042017
k( 173) = ( 0.3837209 0.5000000 0.3837209), wk = 0.0042017
k( 174) = ( 0.3720930 0.5000000 0.3720930), wk = 0.0042017
k( 175) = ( 0.3604651 0.5000000 0.3604651), wk = 0.0042017
k( 176) = ( 0.3488372 0.5000000 0.3488372), wk = 0.0042017
k( 177) = ( 0.3372093 0.5000000 0.3372093), wk = 0.0042017
k( 178) = ( 0.3255814 0.5000000 0.3255814), wk = 0.0042017
k( 179) = ( 0.3139535 0.5000000 0.3139535), wk = 0.0042017
k( 180) = ( 0.3023256 0.5000000 0.3023256), wk = 0.0042017
k( 181) = ( 0.2906977 0.5000000 0.2906977), wk = 0.0042017
k( 182) = ( 0.2790698 0.5000000 0.2790698), wk = 0.0042017
k( 183) = ( 0.2674419 0.5000000 0.2674419), wk = 0.0042017
k( 184) = ( 0.2558140 0.5000000 0.2558139), wk = 0.0042017
k( 185) = ( 0.2441860 0.5000000 0.2441860), wk = 0.0042017
k( 186) = ( 0.2325581 0.5000000 0.2325581), wk = 0.0042017
k( 187) = ( 0.2209302 0.5000000 0.2209302), wk = 0.0042017
k( 188) = ( 0.2093023 0.5000000 0.2093023), wk = 0.0042017
k( 189) = ( 0.1976744 0.5000000 0.1976744), wk = 0.0042017
k( 190) = ( 0.1860465 0.5000000 0.1860465), wk = 0.0042017
k( 191) = ( 0.1744186 0.5000000 0.1744186), wk = 0.0042017
k( 192) = ( 0.1627907 0.5000000 0.1627907), wk = 0.0042017
k( 193) = ( 0.1511628 0.5000000 0.1511628), wk = 0.0042017
k( 194) = ( 0.1395349 0.5000000 0.1395349), wk = 0.0042017
k( 195) = ( 0.1279070 0.5000000 0.1279070), wk = 0.0042017
k( 196) = ( 0.1162791 0.5000000 0.1162791), wk = 0.0042017
k( 197) = ( 0.1046512 0.5000000 0.1046512), wk = 0.0042017
k( 198) = ( 0.0930233 0.5000000 0.0930233), wk = 0.0042017
k( 199) = ( 0.0813954 0.5000000 0.0813953), wk = 0.0042017
k( 200) = ( 0.0697674 0.5000000 0.0697674), wk = 0.0042017
k( 201) = ( 0.0581395 0.5000000 0.0581395), wk = 0.0042017
k( 202) = ( 0.0465116 0.5000000 0.0465116), wk = 0.0042017
k( 203) = ( 0.0348837 0.5000000 0.0348837), wk = 0.0042017
k( 204) = ( 0.0232558 0.5000000 0.0232558), wk = 0.0042017
k( 205) = ( 0.0116279 0.5000000 0.0116279), wk = 0.0042017
k( 206) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042017
k( 207) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042017
k( 208) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0042017
k( 209) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0042017
k( 210) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0042017
k( 211) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0042017
k( 212) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0042017
k( 213) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0042017
k( 214) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0042017
k( 215) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0042017
k( 216) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0042017
k( 217) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0042017
k( 218) = ( 0.5000000 0.5000000 0.1774193), wk = 0.0042017
k( 219) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0042017
k( 220) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0042017
k( 221) = ( 0.5000000 0.5000000 0.2258064), wk = 0.0042017
k( 222) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0042017
k( 223) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0042017
k( 224) = ( 0.5000000 0.5000000 0.2741935), wk = 0.0042017
k( 225) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0042017
k( 226) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0042017
k( 227) = ( 0.5000000 0.5000000 0.3225806), wk = 0.0042017
k( 228) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0042017
k( 229) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0042017
k( 230) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0042017
k( 231) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0042017
k( 232) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0042017
k( 233) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0042017
k( 234) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0042017
k( 235) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0042017
k( 236) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0042017
k( 237) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0042017
k( 238) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042017
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017
k( 2) = ( 0.0000000 0.0161290 0.0000000), wk = 0.0042017
k( 3) = ( 0.0000000 0.0322581 0.0000000), wk = 0.0042017
k( 4) = ( 0.0000000 0.0483871 0.0000000), wk = 0.0042017
k( 5) = ( 0.0000000 0.0645161 0.0000000), wk = 0.0042017
k( 6) = ( 0.0000000 0.0806452 0.0000000), wk = 0.0042017
k( 7) = ( 0.0000000 0.0967742 0.0000000), wk = 0.0042017
k( 8) = ( 0.0000000 0.1129032 0.0000000), wk = 0.0042017
k( 9) = ( 0.0000000 0.1290323 0.0000000), wk = 0.0042017
k( 10) = ( 0.0000000 0.1451613 0.0000000), wk = 0.0042017
k( 11) = ( 0.0000000 0.1612903 0.0000000), wk = 0.0042017
k( 12) = ( 0.0000000 0.1774194 0.0000000), wk = 0.0042017
k( 13) = ( 0.0000000 0.1935484 0.0000000), wk = 0.0042017
k( 14) = ( 0.0000000 0.2096774 0.0000000), wk = 0.0042017
k( 15) = ( 0.0000000 0.2258064 0.0000000), wk = 0.0042017
k( 16) = ( 0.0000000 0.2419355 0.0000000), wk = 0.0042017
k( 17) = ( 0.0000000 0.2580645 0.0000000), wk = 0.0042017
k( 18) = ( 0.0000000 0.2741936 0.0000000), wk = 0.0042017
k( 19) = ( 0.0000000 0.2903226 0.0000000), wk = 0.0042017
k( 20) = ( 0.0000000 0.3064516 0.0000000), wk = 0.0042017
k( 21) = ( 0.0000000 0.3225807 0.0000000), wk = 0.0042017
k( 22) = ( 0.0000000 0.3387097 0.0000000), wk = 0.0042017
k( 23) = ( 0.0000000 0.3548387 0.0000000), wk = 0.0042017
k( 24) = ( 0.0000000 0.3709677 0.0000000), wk = 0.0042017
k( 25) = ( 0.0000000 0.3870968 0.0000000), wk = 0.0042017
k( 26) = ( 0.0000000 0.4032258 0.0000000), wk = 0.0042017
k( 27) = ( 0.0000000 0.4193548 0.0000000), wk = 0.0042017
k( 28) = ( 0.0000000 0.4354839 0.0000000), wk = 0.0042017
k( 29) = ( 0.0000000 0.4516129 0.0000000), wk = 0.0042017
k( 30) = ( 0.0000000 0.4677419 0.0000000), wk = 0.0042017
k( 31) = ( 0.0000000 0.4838710 0.0000000), wk = 0.0042017
k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0042017
k( 33) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0042017
k( 34) = ( 0.0161290 0.5000000 0.0000000), wk = 0.0042017
k( 35) = ( 0.0322581 0.5000000 0.0000000), wk = 0.0042017
k( 36) = ( 0.0483871 0.5000000 0.0000000), wk = 0.0042017
k( 37) = ( 0.0645161 0.5000000 0.0000000), wk = 0.0042017
k( 38) = ( 0.0806452 0.5000000 0.0000000), wk = 0.0042017
k( 39) = ( 0.0967742 0.5000000 0.0000000), wk = 0.0042017
k( 40) = ( 0.1129032 0.5000000 0.0000000), wk = 0.0042017
k( 41) = ( 0.1290323 0.5000000 0.0000000), wk = 0.0042017
k( 42) = ( 0.1451613 0.5000000 0.0000000), wk = 0.0042017
k( 43) = ( 0.1612903 0.5000000 0.0000000), wk = 0.0042017
k( 44) = ( 0.1774194 0.5000000 0.0000000), wk = 0.0042017
k( 45) = ( 0.1935484 0.5000000 0.0000000), wk = 0.0042017
k( 46) = ( 0.2096774 0.5000000 0.0000000), wk = 0.0042017
k( 47) = ( 0.2258064 0.5000000 0.0000000), wk = 0.0042017
k( 48) = ( 0.2419355 0.5000000 0.0000000), wk = 0.0042017
k( 49) = ( 0.2580645 0.5000000 0.0000000), wk = 0.0042017
k( 50) = ( 0.2741936 0.5000000 0.0000000), wk = 0.0042017
k( 51) = ( 0.2903226 0.5000000 0.0000000), wk = 0.0042017
k( 52) = ( 0.3064516 0.5000000 -0.0000000), wk = 0.0042017
k( 53) = ( 0.3225807 0.5000000 -0.0000000), wk = 0.0042017
k( 54) = ( 0.3387097 0.5000000 0.0000000), wk = 0.0042017
k( 55) = ( 0.3548387 0.5000000 0.0000000), wk = 0.0042017
k( 56) = ( 0.3709677 0.5000000 0.0000000), wk = 0.0042017
k( 57) = ( 0.3870968 0.5000000 -0.0000000), wk = 0.0042017
k( 58) = ( 0.4032258 0.5000000 0.0000000), wk = 0.0042017
k( 59) = ( 0.4193548 0.5000000 0.0000000), wk = 0.0042017
k( 60) = ( 0.4354839 0.5000000 0.0000000), wk = 0.0042017
k( 61) = ( 0.4516129 0.5000000 0.0000000), wk = 0.0042017
k( 62) = ( 0.4677419 0.5000000 -0.0000000), wk = 0.0042017
k( 63) = ( 0.4838710 0.5000000 0.0000000), wk = 0.0042017
k( 64) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042017
k( 65) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042017
k( 66) = ( 0.4883721 0.4883721 0.0000000), wk = 0.0042017
k( 67) = ( 0.4767442 0.4767442 0.0000000), wk = 0.0042017
k( 68) = ( 0.4651163 0.4651163 0.0000000), wk = 0.0042017
k( 69) = ( 0.4534884 0.4534884 0.0000000), wk = 0.0042017
k( 70) = ( 0.4418605 0.4418605 0.0000000), wk = 0.0042017
k( 71) = ( 0.4302326 0.4302326 0.0000000), wk = 0.0042017
k( 72) = ( 0.4186047 0.4186047 0.0000000), wk = 0.0042017
k( 73) = ( 0.4069767 0.4069767 0.0000000), wk = 0.0042017
k( 74) = ( 0.3953488 0.3953488 0.0000000), wk = 0.0042017
k( 75) = ( 0.3837209 0.3837209 0.0000000), wk = 0.0042017
k( 76) = ( 0.3720930 0.3720930 0.0000000), wk = 0.0042017
k( 77) = ( 0.3604651 0.3604651 0.0000000), wk = 0.0042017
k( 78) = ( 0.3488372 0.3488372 0.0000000), wk = 0.0042017
k( 79) = ( 0.3372093 0.3372093 0.0000000), wk = 0.0042017
k( 80) = ( 0.3255814 0.3255814 0.0000000), wk = 0.0042017
k( 81) = ( 0.3139535 0.3139535 0.0000000), wk = 0.0042017
k( 82) = ( 0.3023256 0.3023256 0.0000000), wk = 0.0042017
k( 83) = ( 0.2906977 0.2906977 0.0000000), wk = 0.0042017
k( 84) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0042017
k( 85) = ( 0.2674419 0.2674419 0.0000000), wk = 0.0042017
k( 86) = ( 0.2558140 0.2558140 0.0000000), wk = 0.0042017
k( 87) = ( 0.2441860 0.2441860 0.0000000), wk = 0.0042017
k( 88) = ( 0.2325581 0.2325581 0.0000000), wk = 0.0042017
k( 89) = ( 0.2209302 0.2209302 0.0000000), wk = 0.0042017
k( 90) = ( 0.2093023 0.2093023 0.0000000), wk = 0.0042017
k( 91) = ( 0.1976744 0.1976744 0.0000000), wk = 0.0042017
k( 92) = ( 0.1860465 0.1860465 0.0000000), wk = 0.0042017
k( 93) = ( 0.1744186 0.1744186 0.0000000), wk = 0.0042017
k( 94) = ( 0.1627907 0.1627907 0.0000000), wk = 0.0042017
k( 95) = ( 0.1511628 0.1511628 0.0000000), wk = 0.0042017
k( 96) = ( 0.1395349 0.1395349 0.0000000), wk = 0.0042017
k( 97) = ( 0.1279070 0.1279070 0.0000000), wk = 0.0042017
k( 98) = ( 0.1162791 0.1162791 0.0000000), wk = 0.0042017
k( 99) = ( 0.1046512 0.1046512 0.0000000), wk = 0.0042017
k( 100) = ( 0.0930233 0.0930233 0.0000000), wk = 0.0042017
k( 101) = ( 0.0813954 0.0813954 0.0000000), wk = 0.0042017
k( 102) = ( 0.0697674 0.0697674 0.0000000), wk = 0.0042017
k( 103) = ( 0.0581395 0.0581395 0.0000000), wk = 0.0042017
k( 104) = ( 0.0465116 0.0465116 0.0000000), wk = 0.0042017
k( 105) = ( 0.0348837 0.0348837 0.0000000), wk = 0.0042017
k( 106) = ( 0.0232558 0.0232558 0.0000000), wk = 0.0042017
k( 107) = ( 0.0116279 0.0116279 0.0000000), wk = 0.0042017
k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017
k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017
k( 110) = ( 0.0094340 0.0094340 0.0094340), wk = 0.0042017
k( 111) = ( 0.0188679 0.0188679 0.0188679), wk = 0.0042017
k( 112) = ( 0.0283019 0.0283019 0.0283019), wk = 0.0042017
k( 113) = ( 0.0377359 0.0377359 0.0377359), wk = 0.0042017
k( 114) = ( 0.0471698 0.0471698 0.0471698), wk = 0.0042017
k( 115) = ( 0.0566038 0.0566038 0.0566038), wk = 0.0042017
k( 116) = ( 0.0660377 0.0660377 0.0660377), wk = 0.0042017
k( 117) = ( 0.0754717 0.0754717 0.0754717), wk = 0.0042017
k( 118) = ( 0.0849057 0.0849057 0.0849057), wk = 0.0042017
k( 119) = ( 0.0943396 0.0943396 0.0943396), wk = 0.0042017
k( 120) = ( 0.1037736 0.1037736 0.1037736), wk = 0.0042017
k( 121) = ( 0.1132076 0.1132076 0.1132076), wk = 0.0042017
k( 122) = ( 0.1226415 0.1226415 0.1226415), wk = 0.0042017
k( 123) = ( 0.1320755 0.1320755 0.1320755), wk = 0.0042017
k( 124) = ( 0.1415094 0.1415094 0.1415094), wk = 0.0042017
k( 125) = ( 0.1509434 0.1509434 0.1509434), wk = 0.0042017
k( 126) = ( 0.1603774 0.1603774 0.1603774), wk = 0.0042017
k( 127) = ( 0.1698113 0.1698113 0.1698113), wk = 0.0042017
k( 128) = ( 0.1792453 0.1792453 0.1792453), wk = 0.0042017
k( 129) = ( 0.1886792 0.1886792 0.1886792), wk = 0.0042017
k( 130) = ( 0.1981132 0.1981132 0.1981132), wk = 0.0042017
k( 131) = ( 0.2075472 0.2075472 0.2075472), wk = 0.0042017
k( 132) = ( 0.2169811 0.2169811 0.2169811), wk = 0.0042017
k( 133) = ( 0.2264151 0.2264151 0.2264151), wk = 0.0042017
k( 134) = ( 0.2358491 0.2358491 0.2358491), wk = 0.0042017
k( 135) = ( 0.2452830 0.2452830 0.2452830), wk = 0.0042017
k( 136) = ( 0.2547170 0.2547170 0.2547170), wk = 0.0042017
k( 137) = ( 0.2641509 0.2641509 0.2641509), wk = 0.0042017
k( 138) = ( 0.2735849 0.2735849 0.2735849), wk = 0.0042017
k( 139) = ( 0.2830189 0.2830189 0.2830189), wk = 0.0042017
k( 140) = ( 0.2924528 0.2924528 0.2924528), wk = 0.0042017
k( 141) = ( 0.3018868 0.3018868 0.3018868), wk = 0.0042017
k( 142) = ( 0.3113207 0.3113207 0.3113207), wk = 0.0042017
k( 143) = ( 0.3207547 0.3207547 0.3207547), wk = 0.0042017
k( 144) = ( 0.3301887 0.3301887 0.3301887), wk = 0.0042017
k( 145) = ( 0.3396226 0.3396226 0.3396226), wk = 0.0042017
k( 146) = ( 0.3490566 0.3490566 0.3490566), wk = 0.0042017
k( 147) = ( 0.3584906 0.3584906 0.3584906), wk = 0.0042017
k( 148) = ( 0.3679245 0.3679245 0.3679245), wk = 0.0042017
k( 149) = ( 0.3773585 0.3773585 0.3773585), wk = 0.0042017
k( 150) = ( 0.3867925 0.3867925 0.3867925), wk = 0.0042017
k( 151) = ( 0.3962264 0.3962264 0.3962264), wk = 0.0042017
k( 152) = ( 0.4056604 0.4056604 0.4056604), wk = 0.0042017
k( 153) = ( 0.4150943 0.4150943 0.4150943), wk = 0.0042017
k( 154) = ( 0.4245283 0.4245283 0.4245283), wk = 0.0042017
k( 155) = ( 0.4339623 0.4339623 0.4339623), wk = 0.0042017
k( 156) = ( 0.4433962 0.4433962 0.4433962), wk = 0.0042017
k( 157) = ( 0.4528302 0.4528302 0.4528302), wk = 0.0042017
k( 158) = ( 0.4622641 0.4622641 0.4622641), wk = 0.0042017
k( 159) = ( 0.4716981 0.4716981 0.4716981), wk = 0.0042017
k( 160) = ( 0.4811321 0.4811321 0.4811321), wk = 0.0042017
k( 161) = ( 0.4905660 0.4905660 0.4905660), wk = 0.0042017
k( 162) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042017
k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042017
k( 164) = ( 0.4883721 0.5000000 0.4883721), wk = 0.0042017
k( 165) = ( 0.4767442 0.5000000 0.4767442), wk = 0.0042017
k( 166) = ( 0.4651163 0.5000000 0.4651163), wk = 0.0042017
k( 167) = ( 0.4534884 0.5000000 0.4534884), wk = 0.0042017
k( 168) = ( 0.4418605 0.5000000 0.4418605), wk = 0.0042017
k( 169) = ( 0.4302326 0.5000000 0.4302326), wk = 0.0042017
k( 170) = ( 0.4186047 0.5000000 0.4186047), wk = 0.0042017
k( 171) = ( 0.4069767 0.5000000 0.4069767), wk = 0.0042017
k( 172) = ( 0.3953488 0.5000000 0.3953488), wk = 0.0042017
k( 173) = ( 0.3837209 0.5000000 0.3837209), wk = 0.0042017
k( 174) = ( 0.3720930 0.5000000 0.3720930), wk = 0.0042017
k( 175) = ( 0.3604651 0.5000000 0.3604651), wk = 0.0042017
k( 176) = ( 0.3488372 0.5000000 0.3488372), wk = 0.0042017
k( 177) = ( 0.3372093 0.5000000 0.3372093), wk = 0.0042017
k( 178) = ( 0.3255814 0.5000000 0.3255814), wk = 0.0042017
k( 179) = ( 0.3139535 0.5000000 0.3139535), wk = 0.0042017
k( 180) = ( 0.3023256 0.5000000 0.3023256), wk = 0.0042017
k( 181) = ( 0.2906977 0.5000000 0.2906977), wk = 0.0042017
k( 182) = ( 0.2790698 0.5000000 0.2790698), wk = 0.0042017
k( 183) = ( 0.2674419 0.5000000 0.2674419), wk = 0.0042017
k( 184) = ( 0.2558140 0.5000000 0.2558140), wk = 0.0042017
k( 185) = ( 0.2441860 0.5000000 0.2441860), wk = 0.0042017
k( 186) = ( 0.2325581 0.5000000 0.2325581), wk = 0.0042017
k( 187) = ( 0.2209302 0.5000000 0.2209302), wk = 0.0042017
k( 188) = ( 0.2093023 0.5000000 0.2093023), wk = 0.0042017
k( 189) = ( 0.1976744 0.5000000 0.1976744), wk = 0.0042017
k( 190) = ( 0.1860465 0.5000000 0.1860465), wk = 0.0042017
k( 191) = ( 0.1744186 0.5000000 0.1744186), wk = 0.0042017
k( 192) = ( 0.1627907 0.5000000 0.1627907), wk = 0.0042017
k( 193) = ( 0.1511628 0.5000000 0.1511628), wk = 0.0042017
k( 194) = ( 0.1395349 0.5000000 0.1395349), wk = 0.0042017
k( 195) = ( 0.1279070 0.5000000 0.1279070), wk = 0.0042017
k( 196) = ( 0.1162791 0.5000000 0.1162791), wk = 0.0042017
k( 197) = ( 0.1046512 0.5000000 0.1046512), wk = 0.0042017
k( 198) = ( 0.0930233 0.5000000 0.0930233), wk = 0.0042017
k( 199) = ( 0.0813954 0.5000000 0.0813954), wk = 0.0042017
k( 200) = ( 0.0697674 0.5000000 0.0697674), wk = 0.0042017
k( 201) = ( 0.0581395 0.5000000 0.0581395), wk = 0.0042017
k( 202) = ( 0.0465116 0.5000000 0.0465116), wk = 0.0042017
k( 203) = ( 0.0348837 0.5000000 0.0348837), wk = 0.0042017
k( 204) = ( 0.0232558 0.5000000 0.0232558), wk = 0.0042017
k( 205) = ( 0.0116279 0.5000000 0.0116279), wk = 0.0042017
k( 206) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0042017
k( 207) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042017
k( 208) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0042017
k( 209) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0042017
k( 210) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0042017
k( 211) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0042017
k( 212) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0042017
k( 213) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0042017
k( 214) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0042017
k( 215) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0042017
k( 216) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0042017
k( 217) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0042017
k( 218) = ( 0.5000000 0.5000000 0.1774194), wk = 0.0042017
k( 219) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0042017
k( 220) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0042017
k( 221) = ( 0.5000000 0.5000000 0.2258064), wk = 0.0042017
k( 222) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0042017
k( 223) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0042017
k( 224) = ( 0.5000000 0.5000000 0.2741936), wk = 0.0042017
k( 225) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0042017
k( 226) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0042017
k( 227) = ( 0.5000000 0.5000000 0.3225807), wk = 0.0042017
k( 228) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0042017
k( 229) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0042017
k( 230) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0042017
k( 231) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0042017
k( 232) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0042017
k( 233) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0042017
k( 234) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0042017
k( 235) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0042017
k( 236) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0042017
k( 237) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0042017
k( 238) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042017
Dense grid: 93981 G-vectors FFT dimensions: ( 60, 60, 60)
Smooth grid: 45769 G-vectors FFT dimensions: ( 45, 45, 45)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.24 Mb ( 332, 48)
NL pseudopotentials 0.33 Mb ( 166, 130)
Each V/rho on FFT grid 0.11 Mb ( 7200)
Each G-vector array 0.02 Mb ( 2611)
G-vector shells 0.00 Mb ( 517)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.97 Mb ( 332, 192)
Each subspace H/S matrix 0.04 Mb ( 48, 48)
Each <psi_i|beta_j> matrix 0.19 Mb ( 130, 2, 48)
Check: negative/imaginary core charge= -0.000001 0.000000
The potential is recalculated from file :
./K3BrO.save/charge-density.dat
Starting wfc are 64 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 4.3 secs
Computing kpt #: 2
total cpu time spent up to now is 5.0 secs
Computing kpt #: 3
total cpu time spent up to now is 5.7 secs
Computing kpt #: 4
total cpu time spent up to now is 6.4 secs
Computing kpt #: 5
total cpu time spent up to now is 7.2 secs
Computing kpt #: 6
total cpu time spent up to now is 7.9 secs
Computing kpt #: 7
total cpu time spent up to now is 8.5 secs
Computing kpt #: 8
total cpu time spent up to now is 9.2 secs
Computing kpt #: 9
total cpu time spent up to now is 9.8 secs
Computing kpt #: 10
total cpu time spent up to now is 10.5 secs
Computing kpt #: 11
total cpu time spent up to now is 11.1 secs
Computing kpt #: 12
total cpu time spent up to now is 11.7 secs
Computing kpt #: 13
total cpu time spent up to now is 12.3 secs
Computing kpt #: 14
total cpu time spent up to now is 12.9 secs
Computing kpt #: 15
total cpu time spent up to now is 13.5 secs
Computing kpt #: 16
total cpu time spent up to now is 14.1 secs
Computing kpt #: 17
total cpu time spent up to now is 14.8 secs
Computing kpt #: 18
total cpu time spent up to now is 15.5 secs
Computing kpt #: 19
total cpu time spent up to now is 16.2 secs
Computing kpt #: 20
total cpu time spent up to now is 16.8 secs
Computing kpt #: 21
total cpu time spent up to now is 17.4 secs
Computing kpt #: 22
total cpu time spent up to now is 18.0 secs
Computing kpt #: 23
total cpu time spent up to now is 18.7 secs
Computing kpt #: 24
total cpu time spent up to now is 19.5 secs
Computing kpt #: 25
total cpu time spent up to now is 20.1 secs
Computing kpt #: 26
total cpu time spent up to now is 20.8 secs
Computing kpt #: 27
total cpu time spent up to now is 21.5 secs
Computing kpt #: 28
total cpu time spent up to now is 22.1 secs
Computing kpt #: 29
total cpu time spent up to now is 22.8 secs
Computing kpt #: 30
total cpu time spent up to now is 23.5 secs
Computing kpt #: 31
total cpu time spent up to now is 24.2 secs
Computing kpt #: 32
total cpu time spent up to now is 25.0 secs
Computing kpt #: 33
total cpu time spent up to now is 25.8 secs
Computing kpt #: 34
total cpu time spent up to now is 26.6 secs
Computing kpt #: 35
total cpu time spent up to now is 27.3 secs
Computing kpt #: 36
total cpu time spent up to now is 28.0 secs
Computing kpt #: 37
total cpu time spent up to now is 28.8 secs
Computing kpt #: 38
total cpu time spent up to now is 29.6 secs
Computing kpt #: 39
total cpu time spent up to now is 30.3 secs
Computing kpt #: 40
total cpu time spent up to now is 31.1 secs
Computing kpt #: 41
total cpu time spent up to now is 31.9 secs
Computing kpt #: 42
total cpu time spent up to now is 32.8 secs
Computing kpt #: 43
total cpu time spent up to now is 33.6 secs
Computing kpt #: 44
total cpu time spent up to now is 34.5 secs
Computing kpt #: 45
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 36.0 secs
Computing kpt #: 46
total cpu time spent up to now is 36.8 secs
Computing kpt #: 47
total cpu time spent up to now is 37.3 secs
Computing kpt #: 48
total cpu time spent up to now is 37.9 secs
Computing kpt #: 49
total cpu time spent up to now is 38.5 secs
Computing kpt #: 50
total cpu time spent up to now is 39.1 secs
Computing kpt #: 51
total cpu time spent up to now is 39.6 secs
Computing kpt #: 52
total cpu time spent up to now is 40.2 secs
Computing kpt #: 53
total cpu time spent up to now is 40.7 secs
Computing kpt #: 54
total cpu time spent up to now is 41.3 secs
Computing kpt #: 55
total cpu time spent up to now is 41.8 secs
Computing kpt #: 56
total cpu time spent up to now is 42.4 secs
Computing kpt #: 57
total cpu time spent up to now is 42.9 secs
Computing kpt #: 58
total cpu time spent up to now is 43.5 secs
Computing kpt #: 59
total cpu time spent up to now is 44.0 secs
Computing kpt #: 60
total cpu time spent up to now is 44.5 secs
Computing kpt #: 61
total cpu time spent up to now is 45.0 secs
Computing kpt #: 62
total cpu time spent up to now is 45.6 secs
Computing kpt #: 63
total cpu time spent up to now is 46.1 secs
Computing kpt #: 64
total cpu time spent up to now is 46.7 secs
Computing kpt #: 65
total cpu time spent up to now is 47.2 secs
Computing kpt #: 66
total cpu time spent up to now is 47.7 secs
Computing kpt #: 67
total cpu time spent up to now is 48.3 secs
Computing kpt #: 68
total cpu time spent up to now is 49.1 secs
Computing kpt #: 69
total cpu time spent up to now is 49.9 secs
Computing kpt #: 70
total cpu time spent up to now is 50.5 secs
Computing kpt #: 71
total cpu time spent up to now is 51.1 secs
Computing kpt #: 72
total cpu time spent up to now is 51.6 secs
Computing kpt #: 73
total cpu time spent up to now is 52.2 secs
Computing kpt #: 74
total cpu time spent up to now is 52.8 secs
Computing kpt #: 75
total cpu time spent up to now is 53.3 secs
Computing kpt #: 76
total cpu time spent up to now is 53.9 secs
Computing kpt #: 77
total cpu time spent up to now is 54.5 secs
Computing kpt #: 78
total cpu time spent up to now is 55.1 secs
Computing kpt #: 79
total cpu time spent up to now is 55.7 secs
Computing kpt #: 80
total cpu time spent up to now is 56.4 secs
Computing kpt #: 81
total cpu time spent up to now is 57.1 secs
Computing kpt #: 82
total cpu time spent up to now is 57.7 secs
Computing kpt #: 83
total cpu time spent up to now is 58.4 secs
Computing kpt #: 84
total cpu time spent up to now is 59.1 secs
Computing kpt #: 85
total cpu time spent up to now is 59.7 secs
Computing kpt #: 86
total cpu time spent up to now is 60.4 secs
Computing kpt #: 87
total cpu time spent up to now is 61.0 secs
Computing kpt #: 88
total cpu time spent up to now is 61.7 secs
Computing kpt #: 89
total cpu time spent up to now is 62.3 secs
Computing kpt #: 90
total cpu time spent up to now is 62.9 secs
Computing kpt #: 91
total cpu time spent up to now is 63.5 secs
Computing kpt #: 92
total cpu time spent up to now is 64.1 secs
Computing kpt #: 93
total cpu time spent up to now is 64.8 secs
Computing kpt #: 94
total cpu time spent up to now is 65.4 secs
Computing kpt #: 95
total cpu time spent up to now is 66.0 secs
Computing kpt #: 96
total cpu time spent up to now is 66.7 secs
Computing kpt #: 97
total cpu time spent up to now is 67.3 secs
Computing kpt #: 98
total cpu time spent up to now is 67.9 secs
Computing kpt #: 99
total cpu time spent up to now is 68.6 secs
Computing kpt #: 100
total cpu time spent up to now is 69.4 secs
Computing kpt #: 101
total cpu time spent up to now is 70.0 secs
Computing kpt #: 102
total cpu time spent up to now is 70.7 secs
Computing kpt #: 103
total cpu time spent up to now is 71.4 secs
Computing kpt #: 104
total cpu time spent up to now is 72.1 secs
Computing kpt #: 105
total cpu time spent up to now is 72.8 secs
Computing kpt #: 106
total cpu time spent up to now is 73.6 secs
Computing kpt #: 107
total cpu time spent up to now is 74.2 secs
Computing kpt #: 108
total cpu time spent up to now is 74.7 secs
Computing kpt #: 109
total cpu time spent up to now is 75.3 secs
Computing kpt #: 110
total cpu time spent up to now is 75.9 secs
Computing kpt #: 111
total cpu time spent up to now is 76.4 secs
Computing kpt #: 112
total cpu time spent up to now is 77.0 secs
Computing kpt #: 113
total cpu time spent up to now is 77.6 secs
Computing kpt #: 114
total cpu time spent up to now is 78.2 secs
Computing kpt #: 115
total cpu time spent up to now is 78.7 secs
Computing kpt #: 116
total cpu time spent up to now is 79.3 secs
Computing kpt #: 117
total cpu time spent up to now is 79.9 secs
Computing kpt #: 118
total cpu time spent up to now is 80.5 secs
Computing kpt #: 119
total cpu time spent up to now is 81.0 secs
Computing kpt #: 120
total cpu time spent up to now is 81.6 secs
Computing kpt #: 121
total cpu time spent up to now is 82.2 secs
Computing kpt #: 122
total cpu time spent up to now is 82.8 secs
Computing kpt #: 123
total cpu time spent up to now is 83.4 secs
Computing kpt #: 124
total cpu time spent up to now is 84.2 secs
Computing kpt #: 125
total cpu time spent up to now is 85.1 secs
Computing kpt #: 126
total cpu time spent up to now is 86.0 secs
Computing kpt #: 127
total cpu time spent up to now is 86.9 secs
Computing kpt #: 128
total cpu time spent up to now is 87.8 secs
Computing kpt #: 129
total cpu time spent up to now is 88.8 secs
Computing kpt #: 130
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 90.3 secs
Computing kpt #: 131
total cpu time spent up to now is 91.6 secs
Computing kpt #: 132
total cpu time spent up to now is 92.9 secs
Computing kpt #: 133
total cpu time spent up to now is 93.9 secs
Computing kpt #: 134
total cpu time spent up to now is 94.8 secs
Computing kpt #: 135
total cpu time spent up to now is 95.7 secs
Computing kpt #: 136
total cpu time spent up to now is 96.7 secs
Computing kpt #: 137
total cpu time spent up to now is 97.6 secs
Computing kpt #: 138
total cpu time spent up to now is 98.4 secs
Computing kpt #: 139
total cpu time spent up to now is 99.0 secs
Computing kpt #: 140
total cpu time spent up to now is 99.6 secs
Computing kpt #: 141
total cpu time spent up to now is 100.1 secs
Computing kpt #: 142
total cpu time spent up to now is 100.6 secs
Computing kpt #: 143
total cpu time spent up to now is 101.1 secs
Computing kpt #: 144
total cpu time spent up to now is 101.6 secs
Computing kpt #: 145
total cpu time spent up to now is 102.1 secs
Computing kpt #: 146
total cpu time spent up to now is 102.6 secs
Computing kpt #: 147
total cpu time spent up to now is 103.1 secs
Computing kpt #: 148
total cpu time spent up to now is 103.6 secs
Computing kpt #: 149
total cpu time spent up to now is 104.0 secs
Computing kpt #: 150
total cpu time spent up to now is 104.5 secs
Computing kpt #: 151
total cpu time spent up to now is 105.0 secs
Computing kpt #: 152
total cpu time spent up to now is 105.5 secs
Computing kpt #: 153
total cpu time spent up to now is 105.9 secs
Computing kpt #: 154
total cpu time spent up to now is 106.4 secs
Computing kpt #: 155
total cpu time spent up to now is 106.8 secs
Computing kpt #: 156
total cpu time spent up to now is 107.3 secs
Computing kpt #: 157
total cpu time spent up to now is 107.7 secs
Computing kpt #: 158
total cpu time spent up to now is 108.2 secs
Computing kpt #: 159
total cpu time spent up to now is 108.7 secs
Computing kpt #: 160
total cpu time spent up to now is 109.2 secs
Computing kpt #: 161
total cpu time spent up to now is 109.6 secs
Computing kpt #: 162
total cpu time spent up to now is 110.1 secs
Computing kpt #: 163
total cpu time spent up to now is 110.6 secs
Computing kpt #: 164
total cpu time spent up to now is 111.1 secs
Computing kpt #: 165
total cpu time spent up to now is 111.5 secs
Computing kpt #: 166
total cpu time spent up to now is 112.0 secs
Computing kpt #: 167
total cpu time spent up to now is 112.5 secs
Computing kpt #: 168
total cpu time spent up to now is 113.0 secs
Computing kpt #: 169
total cpu time spent up to now is 113.5 secs
Computing kpt #: 170
total cpu time spent up to now is 114.0 secs
Computing kpt #: 171
total cpu time spent up to now is 114.5 secs
Computing kpt #: 172
total cpu time spent up to now is 115.0 secs
Computing kpt #: 173
total cpu time spent up to now is 115.6 secs
Computing kpt #: 174
total cpu time spent up to now is 116.2 secs
Computing kpt #: 175
total cpu time spent up to now is 116.8 secs
Computing kpt #: 176
total cpu time spent up to now is 117.3 secs
Computing kpt #: 177
total cpu time spent up to now is 117.9 secs
Computing kpt #: 178
total cpu time spent up to now is 118.5 secs
Computing kpt #: 179
total cpu time spent up to now is 119.1 secs
Computing kpt #: 180
total cpu time spent up to now is 119.6 secs
Computing kpt #: 181
total cpu time spent up to now is 120.2 secs
Computing kpt #: 182
total cpu time spent up to now is 120.8 secs
Computing kpt #: 183
total cpu time spent up to now is 121.4 secs
Computing kpt #: 184
total cpu time spent up to now is 121.9 secs
Computing kpt #: 185
total cpu time spent up to now is 122.4 secs
Computing kpt #: 186
total cpu time spent up to now is 122.9 secs
Computing kpt #: 187
total cpu time spent up to now is 123.4 secs
Computing kpt #: 188
total cpu time spent up to now is 123.9 secs
Computing kpt #: 189
total cpu time spent up to now is 124.5 secs
Computing kpt #: 190
total cpu time spent up to now is 125.1 secs
Computing kpt #: 191
total cpu time spent up to now is 125.7 secs
Computing kpt #: 192
total cpu time spent up to now is 126.3 secs
Computing kpt #: 193
total cpu time spent up to now is 127.1 secs
Computing kpt #: 194
total cpu time spent up to now is 128.0 secs
Computing kpt #: 195
total cpu time spent up to now is 129.0 secs
Computing kpt #: 196
total cpu time spent up to now is 129.8 secs
Computing kpt #: 197
total cpu time spent up to now is 130.8 secs
Computing kpt #: 198
total cpu time spent up to now is 131.5 secs
Computing kpt #: 199
total cpu time spent up to now is 132.3 secs
Computing kpt #: 200
total cpu time spent up to now is 133.1 secs
Computing kpt #: 201
total cpu time spent up to now is 133.7 secs
Computing kpt #: 202
total cpu time spent up to now is 134.4 secs
Computing kpt #: 203
total cpu time spent up to now is 135.1 secs
Computing kpt #: 204
total cpu time spent up to now is 135.9 secs
Computing kpt #: 205
total cpu time spent up to now is 136.6 secs
Computing kpt #: 206
total cpu time spent up to now is 137.4 secs
Computing kpt #: 207
total cpu time spent up to now is 137.9 secs
Computing kpt #: 208
total cpu time spent up to now is 138.4 secs
Computing kpt #: 209
total cpu time spent up to now is 139.0 secs
Computing kpt #: 210
total cpu time spent up to now is 139.6 secs
Computing kpt #: 211
total cpu time spent up to now is 140.1 secs
Computing kpt #: 212
total cpu time spent up to now is 140.7 secs
Computing kpt #: 213
total cpu time spent up to now is 141.2 secs
Computing kpt #: 214
total cpu time spent up to now is 141.7 secs
Computing kpt #: 215
total cpu time spent up to now is 142.2 secs
Computing kpt #: 216
total cpu time spent up to now is 142.7 secs
Computing kpt #: 217
total cpu time spent up to now is 143.2 secs
Computing kpt #: 218
total cpu time spent up to now is 143.7 secs
Computing kpt #: 219
total cpu time spent up to now is 144.2 secs
Computing kpt #: 220
total cpu time spent up to now is 144.7 secs
Computing kpt #: 221
total cpu time spent up to now is 145.2 secs
Computing kpt #: 222
total cpu time spent up to now is 145.6 secs
Computing kpt #: 223
total cpu time spent up to now is 146.1 secs
Computing kpt #: 224
total cpu time spent up to now is 146.6 secs
Computing kpt #: 225
total cpu time spent up to now is 147.0 secs
Computing kpt #: 226
total cpu time spent up to now is 147.5 secs
Computing kpt #: 227
total cpu time spent up to now is 148.0 secs
Computing kpt #: 228
total cpu time spent up to now is 148.4 secs
Computing kpt #: 229
total cpu time spent up to now is 148.9 secs
Computing kpt #: 230
total cpu time spent up to now is 149.3 secs
Computing kpt #: 231
total cpu time spent up to now is 149.8 secs
Computing kpt #: 232
total cpu time spent up to now is 150.2 secs
Computing kpt #: 233
total cpu time spent up to now is 150.7 secs
Computing kpt #: 234
total cpu time spent up to now is 151.1 secs
Computing kpt #: 235
total cpu time spent up to now is 151.6 secs
Computing kpt #: 236
total cpu time spent up to now is 152.0 secs
Computing kpt #: 237
total cpu time spent up to now is 152.5 secs
Computing kpt #: 238
total cpu time spent up to now is 152.9 secs
ethr = 2.50E-08, avg # of iterations = 31.1
total cpu time spent up to now is 152.9 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev):
-25.4283 -25.4283 -25.3364 -25.3364 -25.3364 -25.3364 -10.7788 -10.7788
-9.9156 -9.9156 -9.2509 -9.2509 -9.2509 -9.2509 -9.1839 -9.1839
-8.9724 -8.9724 -8.9724 -8.9724 -8.8958 -8.8958 -8.6782 -8.6782
-8.5235 -8.5235 -8.5235 -8.5235 0.8039 0.8039 1.2579 1.2579
1.2579 1.2579 4.7105 4.7105 4.7337 4.7337 4.7337 4.7337
5.6609 5.6609 7.4583 7.4583 7.4583 7.4583 9.0303 9.0305
k = 0.0000 0.0161-0.0000 ( 5711 PWs) bands (ev):
-25.4283 -25.4283 -25.3365 -25.3365 -25.3364 -25.3364 -10.7789 -10.7789
-9.9171 -9.9171 -9.2508 -9.2508 -9.2503 -9.2503 -9.1837 -9.1837
-8.9724 -8.9724 -8.9724 -8.9724 -8.8959 -8.8959 -8.6778 -8.6778
-8.5237 -8.5237 -8.5230 -8.5230 0.8034 0.8034 1.2569 1.2569
1.2577 1.2577 4.7092 4.7092 4.7317 4.7317 4.7334 4.7334
5.6649 5.6649 7.4600 7.4600 7.4606 7.4606 9.0316 9.0323
k = 0.0000 0.0323-0.0000 ( 5711 PWs) bands (ev):
-25.4281 -25.4281 -25.3366 -25.3366 -25.3364 -25.3364 -10.7791 -10.7791
-9.9215 -9.9215 -9.2506 -9.2506 -9.2483 -9.2483 -9.1832 -9.1832
-8.9723 -8.9723 -8.9723 -8.9723 -8.8960 -8.8960 -8.6763 -8.6763
-8.5239 -8.5239 -8.5210 -8.5210 0.8019 0.8019 1.2539 1.2539
1.2573 1.2573 4.7048 4.7048 4.7267 4.7267 4.7324 4.7324
5.6770 5.6770 7.4653 7.4653 7.4678 7.4678 9.0350 9.0350
k = 0.0000 0.0484-0.0000 ( 5715 PWs) bands (ev):
-25.4279 -25.4279 -25.3369 -25.3369 -25.3364 -25.3364 -10.7796 -10.7796
-9.9287 -9.9287 -9.2501 -9.2501 -9.2452 -9.2452 -9.1822 -9.1822
-8.9723 -8.9723 -8.9722 -8.9722 -8.8963 -8.8963 -8.6740 -8.6740
-8.5244 -8.5244 -8.5177 -8.5177 0.7994 0.7994 1.2489 1.2489
1.2565 1.2565 4.6949 4.6949 4.7211 4.7211 4.7308 4.7308
5.6966 5.6966 7.4740 7.4740 7.4797 7.4797 9.0408 9.0408
k = 0.0000 0.0645-0.0000 ( 5699 PWs) bands (ev):
-25.4275 -25.4275 -25.3372 -25.3372 -25.3364 -25.3364 -10.7802 -10.7802
-9.9385 -9.9385 -9.2495 -9.2495 -9.2410 -9.2410 -9.1809 -9.1809
-8.9721 -8.9721 -8.9721 -8.9721 -8.8966 -8.8966 -8.6711 -8.6711
-8.5251 -8.5251 -8.5129 -8.5129 0.7960 0.7960 1.2422 1.2422
1.2555 1.2555 4.6785 4.6785 4.7166 4.7166 4.7286 4.7286
5.7235 5.7235 7.4863 7.4863 7.4962 7.4962 9.0488 9.0488
k = 0.0000 0.0806-0.0000 ( 5691 PWs) bands (ev):
-25.4270 -25.4270 -25.3377 -25.3377 -25.3364 -25.3364 -10.7810 -10.7810
-9.9506 -9.9506 -9.2487 -9.2487 -9.2361 -9.2361 -9.1792 -9.1792
-8.9720 -8.9720 -8.9719 -8.9719 -8.8970 -8.8970 -8.6676 -8.6676
-8.5259 -8.5259 -8.5065 -8.5065 0.7915 0.7915 1.2338 1.2338
1.2542 1.2542 4.6565 4.6565 4.7128 4.7128 4.7259 4.7259
5.7570 5.7570 7.5019 7.5019 7.5173 7.5173 9.0592 9.0592
k = 0.0000 0.0968-0.0000 ( 5686 PWs) bands (ev):
-25.4265 -25.4265 -25.3382 -25.3382 -25.3364 -25.3364 -10.7819 -10.7819
-9.9647 -9.9647 -9.2478 -9.2478 -9.2306 -9.2306 -9.1771 -9.1771
-8.9718 -8.9718 -8.9717 -8.9717 -8.8976 -8.8976 -8.6640 -8.6640
-8.5269 -8.5269 -8.4983 -8.4983 0.7860 0.7860 1.2240 1.2240
1.2526 1.2526 4.6301 4.6301 4.7089 4.7089 4.7226 4.7226
5.7965 5.7965 7.5209 7.5209 7.5428 7.5428 9.0718 9.0718
k = 0.0000 0.1129-0.0000 ( 5682 PWs) bands (ev):
-25.4258 -25.4258 -25.3388 -25.3388 -25.3364 -25.3364 -10.7830 -10.7830
-9.9805 -9.9805 -9.2468 -9.2468 -9.2246 -9.2246 -9.1747 -9.1747
-8.9717 -8.9717 -8.9715 -8.9715 -8.8982 -8.8982 -8.6604 -8.6604
-8.5280 -8.5280 -8.4883 -8.4883 0.7795 0.7795 1.2129 1.2129
1.2507 1.2507 4.6003 4.6003 4.7049 4.7049 4.7188 4.7188
5.8415 5.8415 7.5432 7.5432 7.5725 7.5725 9.0868 9.0868
k = 0.0000 0.1290-0.0000 ( 5682 PWs) bands (ev):
-25.4250 -25.4250 -25.3396 -25.3396 -25.3364 -25.3364 -10.7842 -10.7842
-9.9977 -9.9977 -9.2456 -9.2456 -9.2186 -9.2186 -9.1719 -9.1719
-8.9716 -8.9716 -8.9712 -8.9712 -8.8990 -8.8990 -8.6571 -8.6571
-8.5292 -8.5292 -8.4764 -8.4764 0.7720 0.7720 1.2007 1.2007
1.2487 1.2487 4.5677 4.5677 4.7006 4.7006 4.7145 4.7145
5.8914 5.8914 7.5687 7.5687 7.6062 7.6062 9.1039 9.1039
k = 0.0000 0.1452-0.0000 ( 5686 PWs) bands (ev):
-25.4241 -25.4241 -25.3404 -25.3404 -25.3364 -25.3364 -10.7855 -10.7855
-10.0158 -10.0158 -9.2442 -9.2442 -9.2124 -9.2124 -9.1687 -9.1687
-8.9715 -8.9715 -8.9708 -8.9708 -8.8998 -8.8998 -8.6542 -8.6542
-8.5307 -8.5307 -8.4627 -8.4627 0.7635 0.7635 1.1879 1.1879
1.2464 1.2464 4.5328 4.5328 4.6960 4.6960 4.7098 4.7098
5.9457 5.9457 7.5972 7.5972 7.6437 7.6437 9.1234 9.1234
k = 0.0000 0.1613-0.0000 ( 5670 PWs) bands (ev):
-25.4232 -25.4232 -25.3413 -25.3413 -25.3363 -25.3363 -10.7869 -10.7869
-10.0348 -10.0348 -9.2427 -9.2427 -9.2064 -9.2064 -9.1653 -9.1653
-8.9715 -8.9715 -8.9704 -8.9704 -8.9008 -8.9008 -8.6517 -8.6517
-8.5322 -8.5322 -8.4472 -8.4472 0.7540 0.7540 1.1744 1.1744
1.2440 1.2440 4.4962 4.4962 4.6911 4.6911 4.7048 4.7048
6.0038 6.0038 7.6287 7.6287 7.6846 7.6846 9.1451 9.1451
k = 0.0000 0.1774-0.0000 ( 5686 PWs) bands (ev):
-25.4221 -25.4221 -25.3423 -25.3423 -25.3363 -25.3363 -10.7885 -10.7885
-10.0542 -10.0542 -9.2412 -9.2412 -9.2006 -9.2006 -9.1617 -9.1617
-8.9716 -8.9716 -8.9699 -8.9699 -8.9019 -8.9019 -8.6498 -8.6498
-8.5338 -8.5338 -8.4302 -8.4302 0.7437 0.7437 1.1608 1.1608
1.2413 1.2413 4.4583 4.4583 4.6859 4.6859 4.6995 4.6995
6.0654 6.0654 7.6630 7.6630 7.7287 7.7287 9.1690 9.1690
k = 0.0000 0.1935-0.0000 ( 5686 PWs) bands (ev):
-25.4210 -25.4210 -25.3434 -25.3434 -25.3363 -25.3363 -10.7901 -10.7901
-10.0739 -10.0739 -9.2396 -9.2396 -9.1949 -9.1949 -9.1578 -9.1578
-8.9717 -8.9717 -8.9693 -8.9693 -8.9030 -8.9030 -8.6484 -8.6484
-8.5355 -8.5355 -8.4119 -8.4119 0.7325 0.7325 1.1470 1.1470
1.2386 1.2386 4.4195 4.4195 4.6805 4.6805 4.6940 4.6940
6.1299 6.1299 7.6999 7.6999 7.7756 7.7756 9.1951 9.1951
k = 0.0000 0.2097-0.0000 ( 5686 PWs) bands (ev):
-25.4198 -25.4198 -25.3445 -25.3445 -25.3363 -25.3363 -10.7917 -10.7917
-10.0936 -10.0936 -9.2379 -9.2379 -9.1895 -9.1895 -9.1539 -9.1539
-8.9719 -8.9719 -8.9687 -8.9687 -8.9043 -8.9043 -8.6474 -8.6474
-8.5373 -8.5373 -8.3926 -8.3926 0.7205 0.7205 1.1334 1.1334
1.2358 1.2358 4.3802 4.3802 4.6750 4.6750 4.6883 4.6883
6.1969 6.1969 7.7393 7.7393 7.8248 7.8248 9.2234 9.2234
k = 0.0000 0.2258-0.0000 ( 5698 PWs) bands (ev):
-25.4185 -25.4185 -25.3457 -25.3457 -25.3363 -25.3363 -10.7934 -10.7934
-10.1131 -10.1131 -9.2362 -9.2362 -9.1843 -9.1843 -9.1499 -9.1499
-8.9722 -8.9722 -8.9680 -8.9680 -8.9056 -8.9056 -8.6468 -8.6468
-8.5392 -8.5392 -8.3724 -8.3724 0.7079 0.7079 1.1201 1.1201
1.2328 1.2328 4.3408 4.3408 4.6694 4.6694 4.6825 4.6825
6.2661 6.2661 7.7808 7.7808 7.8758 7.8758 9.2538 9.2538
k = 0.0000 0.2419-0.0000 ( 5698 PWs) bands (ev):
-25.4171 -25.4171 -25.3470 -25.3470 -25.3363 -25.3363 -10.7952 -10.7952
-10.1322 -10.1322 -9.2344 -9.2344 -9.1793 -9.1793 -9.1459 -9.1459
-8.9726 -8.9726 -8.9672 -8.9672 -8.9071 -8.9071 -8.6466 -8.6466
-8.5411 -8.5411 -8.3518 -8.3518 0.6947 0.6947 1.1073 1.1073
1.2299 1.2299 4.3016 4.3016 4.6638 4.6638 4.6766 4.6766
6.3369 6.3369 7.8242 7.8242 7.9281 7.9281 9.2863 9.2863
k = 0.0000 0.2581-0.0000 ( 5694 PWs) bands (ev):
-25.4157 -25.4157 -25.3484 -25.3484 -25.3362 -25.3362 -10.7969 -10.7969
-10.1508 -10.1508 -9.2326 -9.2326 -9.1744 -9.1744 -9.1420 -9.1420
-8.9730 -8.9730 -8.9662 -8.9662 -8.9086 -8.9086 -8.6467 -8.6467
-8.5430 -8.5430 -8.3311 -8.3311 0.6811 0.6811 1.0951 1.0951
1.2269 1.2269 4.2630 4.2630 4.6582 4.6582 4.6708 4.6708
6.4089 6.4089 7.8693 7.8693 7.9810 7.9810 9.3210 9.3210
k = 0.0000 0.2742-0.0000 ( 5702 PWs) bands (ev):
-25.4143 -25.4143 -25.3498 -25.3498 -25.3362 -25.3362 -10.7986 -10.7986
-10.1688 -10.1688 -9.2309 -9.2309 -9.1698 -9.1698 -9.1383 -9.1383
-8.9735 -8.9735 -8.9652 -8.9652 -8.9103 -8.9103 -8.6470 -8.6470
-8.5449 -8.5449 -8.3103 -8.3103 0.6673 0.6673 1.0836 1.0836
1.2240 1.2240 4.2253 4.2253 4.6526 4.6526 4.6650 4.6650
6.4817 6.4817 7.9157 7.9157 8.0338 8.0338 9.3576 9.3576
k = 0.0000 0.2903-0.0000 ( 5706 PWs) bands (ev):
-25.4128 -25.4128 -25.3512 -25.3512 -25.3362 -25.3362 -10.8003 -10.8003
-10.1860 -10.1860 -9.2291 -9.2291 -9.1653 -9.1653 -9.1348 -9.1348
-8.9741 -8.9741 -8.9641 -8.9641 -8.9120 -8.9120 -8.6475 -8.6475
-8.5467 -8.5467 -8.2900 -8.2900 0.6534 0.6534 1.0729 1.0729
1.2211 1.2211 4.1887 4.1887 4.6472 4.6472 4.6594 4.6594
6.5548 6.5548 7.9629 7.9629 8.0857 8.0857 9.3963 9.3963
k = 0.0000 0.3065-0.0000 ( 5698 PWs) bands (ev):
-25.4112 -25.4112 -25.3527 -25.3527 -25.3362 -25.3362 -10.8019 -10.8019
-10.2023 -10.2023 -9.2274 -9.2274 -9.1609 -9.1609 -9.1314 -9.1314
-8.9747 -8.9747 -8.9629 -8.9629 -8.9138 -8.9138 -8.6481 -8.6481
-8.5486 -8.5486 -8.2701 -8.2701 0.6397 0.6397 1.0629 1.0629
1.2183 1.2183 4.1536 4.1536 4.6420 4.6420 4.6540 4.6540
6.6277 6.6277 8.0106 8.0106 8.1358 8.1358 9.4369 9.4369
k = 0.0000 0.3226-0.0000 ( 5710 PWs) bands (ev):
-25.4097 -25.4097 -25.3542 -25.3542 -25.3362 -25.3362 -10.8035 -10.8035
-10.2176 -10.2176 -9.2258 -9.2258 -9.1567 -9.1567 -9.1284 -9.1284
-8.9754 -8.9754 -8.9616 -8.9616 -8.9157 -8.9157 -8.6488 -8.6488
-8.5503 -8.5503 -8.2511 -8.2511 0.6262 0.6262 1.0538 1.0538
1.2156 1.2156 4.1203 4.1203 4.6370 4.6370 4.6488 4.6488
6.6998 6.6998 8.0583 8.0583 8.1833 8.1833 9.4794 9.4794
k = 0.0000 0.3387-0.0000 ( 5718 PWs) bands (ev):
-25.4081 -25.4081 -25.3557 -25.3557 -25.3362 -25.3362 -10.8050 -10.8050
-10.2319 -10.2319 -9.2242 -9.2242 -9.1527 -9.1527 -9.1256 -9.1256
-8.9762 -8.9762 -8.9602 -8.9602 -8.9177 -8.9177 -8.6495 -8.6495
-8.5520 -8.5520 -8.2330 -8.2330 0.6132 0.6132 1.0455 1.0455
1.2130 1.2130 4.0890 4.0890 4.6323 4.6323 4.6438 4.6438
6.7705 6.7705 8.1053 8.1053 8.2274 8.2274 9.5236 9.5236
k = 0.0000 0.3548-0.0000 ( 5706 PWs) bands (ev):
-25.4066 -25.4066 -25.3571 -25.3571 -25.3362 -25.3362 -10.8063 -10.8063
-10.2450 -10.2450 -9.2227 -9.2227 -9.1489 -9.1489 -9.1231 -9.1231
-8.9769 -8.9769 -8.9586 -8.9586 -8.9197 -8.9197 -8.6503 -8.6503
-8.5536 -8.5536 -8.2161 -8.2161 0.6009 0.6009 1.0380 1.0380
1.2106 1.2106 4.0599 4.0599 4.6278 4.6278 4.6393 4.6393
6.8390 6.8390 8.1512 8.1512 8.2671 8.2671 9.5695 9.5695
k = 0.0000 0.3710-0.0000 ( 5698 PWs) bands (ev):
-25.4051 -25.4051 -25.3586 -25.3586 -25.3362 -25.3362 -10.8076 -10.8076
-10.2569 -10.2569 -9.2213 -9.2213 -9.1452 -9.1452 -9.1209 -9.1209
-8.9777 -8.9777 -8.9570 -8.9570 -8.9218 -8.9218 -8.6510 -8.6510
-8.5551 -8.5551 -8.2006 -8.2006 0.5894 0.5894 1.0314 1.0314
1.2083 1.2083 4.0332 4.0332 4.6238 4.6238 4.6350 4.6350
6.9047 6.9047 8.1952 8.1952 8.3019 8.3019 9.6169 9.6169
k = 0.0000 0.3871-0.0000 ( 5710 PWs) bands (ev):
-25.4036 -25.4036 -25.3600 -25.3600 -25.3361 -25.3361 -10.8088 -10.8088
-10.2675 -10.2675 -9.2201 -9.2201 -9.1419 -9.1419 -9.1191 -9.1191
-8.9784 -8.9784 -8.9552 -8.9552 -8.9240 -8.9240 -8.6517 -8.6517
-8.5564 -8.5564 -8.1865 -8.1865 0.5789 0.5789 1.0256 1.0256
1.2063 1.2063 4.0092 4.0092 4.6201 4.6201 4.6312 4.6312
6.9666 6.9666 8.2366 8.2366 8.3312 8.3312 9.6655 9.6655
k = 0.0000 0.4032-0.0000 ( 5722 PWs) bands (ev):
-25.4022 -25.4022 -25.3614 -25.3614 -25.3361 -25.3361 -10.8098 -10.8098
-10.2768 -10.2768 -9.2190 -9.2190 -9.1388 -9.1388 -9.1175 -9.1175
-8.9791 -8.9791 -8.9534 -8.9534 -8.9262 -8.9262 -8.6524 -8.6524
-8.5576 -8.5576 -8.1740 -8.1740 0.5695 0.5695 1.0205 1.0205
1.2045 1.2045 3.9881 3.9881 4.6169 4.6169 4.6279 4.6279
7.0237 7.0237 8.2747 8.2747 8.3549 8.3549 9.7150 9.7150
k = 0.0000 0.4194-0.0000 ( 5714 PWs) bands (ev):
-25.4009 -25.4009 -25.3626 -25.3626 -25.3361 -25.3361 -10.8107 -10.8107
-10.2847 -10.2847 -9.2180 -9.2180 -9.1361 -9.1361 -9.1163 -9.1163
-8.9798 -8.9798 -8.9515 -8.9515 -8.9284 -8.9284 -8.6529 -8.6529
-8.5586 -8.5586 -8.1633 -8.1633 0.5614 0.5614 1.0163 1.0163
1.2030 1.2030 3.9699 3.9699 4.6141 4.6141 4.6250 4.6250
7.0750 7.0750 8.3087 8.3087 8.3731 8.3731 9.7650 9.7650
k = 0.0000 0.4355-0.0000 ( 5690 PWs) bands (ev):
-25.3998 -25.3998 -25.3637 -25.3637 -25.3361 -25.3361 -10.8115 -10.8115
-10.2912 -10.2912 -9.2172 -9.2172 -9.1337 -9.1337 -9.1153 -9.1153
-8.9803 -8.9803 -8.9496 -8.9496 -8.9306 -8.9306 -8.6534 -8.6534
-8.5594 -8.5594 -8.1543 -8.1543 0.5546 0.5546 1.0129 1.0129
1.2017 1.2017 3.9548 3.9548 4.6118 4.6118 4.6226 4.6226
7.1192 7.1192 8.3378 8.3378 8.3863 8.3863 9.8144 9.8144
k = 0.0000 0.4516-0.0000 ( 5698 PWs) bands (ev):
-25.3988 -25.3988 -25.3647 -25.3647 -25.3361 -25.3361 -10.8120 -10.8120
-10.2964 -10.2964 -9.2166 -9.2166 -9.1317 -9.1317 -9.1146 -9.1146
-8.9808 -8.9808 -8.9476 -8.9476 -8.9328 -8.9328 -8.6538 -8.6538
-8.5601 -8.5601 -8.1473 -8.1473 0.5492 0.5492 1.0102 1.0102
1.2007 1.2007 3.9430 3.9430 4.6100 4.6100 4.6207 4.6207
7.1552 7.1552 8.3612 8.3612 8.3952 8.3952 9.8616 9.8616
k = 0.0000 0.4677-0.0000 ( 5714 PWs) bands (ev):
-25.3981 -25.3981 -25.3654 -25.3654 -25.3361 -25.3361 -10.8125 -10.8125
-10.3000 -10.3000 -9.2161 -9.2161 -9.1303 -9.1303 -9.1142 -9.1142
-8.9812 -8.9812 -8.9457 -8.9457 -8.9349 -8.9349 -8.6541 -8.6541
-8.5606 -8.5606 -8.1422 -8.1422 0.5453 0.5453 1.0083 1.0083
1.1999 1.1999 3.9345 3.9345 4.6087 4.6087 4.6193 4.6193
7.1819 7.1819 8.3785 8.3785 8.4006 8.4006 9.9037 9.9037
k = 0.0000 0.4839-0.0000 ( 5702 PWs) bands (ev):
-25.3977 -25.3977 -25.3658 -25.3658 -25.3361 -25.3361 -10.8127 -10.8127
-10.3022 -10.3022 -9.2158 -9.2158 -9.1294 -9.1294 -9.1139 -9.1139
-8.9814 -8.9814 -8.9440 -8.9440 -8.9366 -8.9366 -8.6543 -8.6543
-8.5609 -8.5609 -8.1392 -8.1392 0.5429 0.5429 1.0072 1.0072
1.1995 1.1995 3.9294 3.9294 4.6079 4.6079 4.6185 4.6185
7.1984 7.1984 8.3890 8.3890 8.4035 8.4035 9.9348 9.9348
k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev):
-25.3975 -25.3975 -25.3660 -25.3660 -25.3361 -25.3361 -10.8128 -10.8128
-10.3030 -10.3030 -9.2157 -9.2157 -9.1291 -9.1291 -9.1138 -9.1138
-8.9815 -8.9815 -8.9432 -8.9432 -8.9374 -8.9374 -8.6544 -8.6544
-8.5610 -8.5610 -8.1382 -8.1382 0.5421 0.5421 1.0068 1.0068
1.1993 1.1993 3.9277 3.9277 4.6076 4.6076 4.6182 4.6182
7.2039 7.2039 8.3926 8.3926 8.4044 8.4044 9.9468 9.9468
k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev):
-25.3975 -25.3975 -25.3660 -25.3660 -25.3361 -25.3361 -10.8128 -10.8128
-10.3030 -10.3030 -9.2157 -9.2157 -9.1291 -9.1291 -9.1138 -9.1138
-8.9815 -8.9815 -8.9432 -8.9432 -8.9374 -8.9374 -8.6544 -8.6544
-8.5610 -8.5610 -8.1382 -8.1382 0.5421 0.5421 1.0068 1.0068
1.1993 1.1993 3.9277 3.9277 4.6076 4.6076 4.6182 4.6182
7.2039 7.2039 8.3926 8.3926 8.4044 8.4044 9.9468 9.9468
k = 0.0161 0.5000-0.0000 ( 5704 PWs) bands (ev):
-25.3975 -25.3975 -25.3660 -25.3660 -25.3361 -25.3361 -10.8128 -10.8128
-10.3039 -10.3039 -9.2156 -9.2156 -9.1294 -9.1294 -9.1136 -9.1136
-8.9814 -8.9814 -8.9454 -8.9454 -8.9350 -8.9350 -8.6540 -8.6540
-8.5609 -8.5609 -8.1378 -8.1378 0.5423 0.5423 1.0066 1.0066
1.1989 1.1989 3.9277 3.9277 4.6064 4.6064 4.6172 4.6172
7.2063 7.2063 8.3946 8.3946 8.4054 8.4054 9.9469 9.9469
k = 0.0323 0.5000-0.0000 ( 5710 PWs) bands (ev):
-25.3974 -25.3974 -25.3660 -25.3660 -25.3363 -25.3363 -10.8128 -10.8128
-10.3067 -10.3067 -9.2154 -9.2154 -9.1302 -9.1302 -9.1129 -9.1129
-8.9811 -8.9811 -8.9489 -8.9489 -8.9307 -8.9307 -8.6531 -8.6531
-8.5604 -8.5604 -8.1366 -8.1366 0.5428 0.5428 1.0058 1.0058
1.1975 1.1975 3.9277 3.9277 4.6021 4.6021 4.6149 4.6149
7.2135 7.2135 8.4003 8.4003 8.4087 8.4087 9.9472 9.9472
k = 0.0484 0.5000-0.0000 ( 5698 PWs) bands (ev):
-25.3971 -25.3971 -25.3659 -25.3659 -25.3364 -25.3364 -10.8127 -10.8127
-10.3114 -10.3114 -9.2149 -9.2149 -9.1314 -9.1314 -9.1118 -9.1118
-8.9807 -8.9807 -8.9523 -8.9523 -8.9260 -8.9260 -8.6516 -8.6516
-8.5595 -8.5595 -8.1346 -8.1346 0.5435 0.5435 1.0045 1.0045
1.1951 1.1951 3.9277 3.9277 4.5935 4.5935 4.6125 4.6125
7.2254 7.2254 8.4082 8.4082 8.4158 8.4158 9.9477 9.9477
k = 0.0645 0.5000-0.0000 ( 5706 PWs) bands (ev):
-25.3969 -25.3969 -25.3659 -25.3659 -25.3367 -25.3367 -10.8126 -10.8126
-10.3178 -10.3178 -9.2144 -9.2144 -9.1329 -9.1329 -9.1105 -9.1105
-8.9802 -8.9802 -8.9553 -8.9553 -8.9210 -8.9210 -8.6497 -8.6497
-8.5583 -8.5583 -8.1319 -8.1319 0.5445 0.5445 1.0028 1.0028
1.1920 1.1920 3.9277 3.9277 4.5806 4.5806 4.6103 4.6103
7.2420 7.2420 8.4158 8.4158 8.4290 8.4290 9.9484 9.9484
k = 0.0806 0.5000-0.0000 ( 5708 PWs) bands (ev):
-25.3965 -25.3965 -25.3659 -25.3659 -25.3370 -25.3370 -10.8125 -10.8125
-10.3257 -10.3257 -9.2137 -9.2137 -9.1346 -9.1346 -9.1091 -9.1091
-8.9798 -8.9798 -8.9579 -8.9579 -8.9158 -8.9158 -8.6475 -8.6475
-8.5565 -8.5565 -8.1284 -8.1284 0.5458 0.5458 1.0005 1.0005
1.1881 1.1881 3.9277 3.9277 4.5638 4.5638 4.6080 4.6080
7.2632 7.2632 8.4239 8.4239 8.4475 8.4475 9.9493 9.9493
k = 0.0968 0.5000-0.0000 ( 5696 PWs) bands (ev):
-25.3960 -25.3960 -25.3659 -25.3659 -25.3374 -25.3374 -10.8124 -10.8124
-10.3352 -10.3352 -9.2130 -9.2130 -9.1363 -9.1363 -9.1076 -9.1076
-8.9796 -8.9796 -8.9599 -8.9599 -8.9105 -8.9105 -8.6451 -8.6451
-8.5541 -8.5541 -8.1240 -8.1240 0.5473 0.5473 0.9978 0.9978
1.1835 1.1835 3.9276 3.9276 4.5436 4.5436 4.6055 4.6055
7.2888 7.2888 8.4331 8.4331 8.4705 8.4705 9.9504 9.9504
k = 0.1129 0.5000-0.0000 ( 5700 PWs) bands (ev):
-25.3955 -25.3955 -25.3659 -25.3659 -25.3379 -25.3379 -10.8123 -10.8123
-10.3460 -10.3460 -9.2124 -9.2124 -9.1381 -9.1381 -9.1060 -9.1060
-8.9798 -8.9798 -8.9612 -8.9612 -8.9050 -8.9050 -8.6429 -8.6429
-8.5510 -8.5510 -8.1188 -8.1188 0.5490 0.5490 0.9946 0.9946
1.1784 1.1784 3.9275 3.9275 4.5202 4.5202 4.6026 4.6026
7.3187 7.3187 8.4435 8.4435 8.4977 8.4977 9.9517 9.9517
k = 0.1290 0.5000-0.0000 ( 5698 PWs) bands (ev):
-25.3949 -25.3949 -25.3659 -25.3659 -25.3385 -25.3385 -10.8121 -10.8121
-10.3579 -10.3579 -9.2118 -9.2118 -9.1400 -9.1400 -9.1043 -9.1043
-8.9805 -8.9805 -8.9618 -8.9618 -8.8995 -8.8995 -8.6408 -8.6408
-8.5472 -8.5472 -8.1128 -8.1128 0.5507 0.5507 0.9910 0.9910
1.1728 1.1728 3.9273 3.9273 4.4940 4.4940 4.5995 4.5995
7.3527 7.3527 8.4551 8.4551 8.5290 8.5290 9.9532 9.9532
k = 0.1452 0.5000-0.0000 ( 5700 PWs) bands (ev):
-25.3942 -25.3942 -25.3659 -25.3659 -25.3391 -25.3391 -10.8120 -10.8120
-10.3708 -10.3708 -9.2114 -9.2114 -9.1418 -9.1418 -9.1026 -9.1026
-8.9814 -8.9814 -8.9618 -8.9618 -8.8939 -8.8939 -8.6392 -8.6392
-8.5426 -8.5426 -8.1060 -8.1060 0.5526 0.5526 0.9869 0.9869
1.1669 1.1669 3.9270 3.9270 4.4653 4.4653 4.5961 4.5961
7.3906 7.3906 8.4676 8.4676 8.5643 8.5643 9.9549 9.9549
k = 0.1613 0.5000-0.0000 ( 5700 PWs) bands (ev):
-25.3935 -25.3935 -25.3658 -25.3658 -25.3398 -25.3398 -10.8118 -10.8118
-10.3844 -10.3844 -9.2111 -9.2111 -9.1436 -9.1436 -9.1008 -9.1008
-8.9826 -8.9826 -8.9615 -8.9615 -8.8882 -8.8882 -8.6381 -8.6381
-8.5372 -8.5372 -8.0984 -8.0984 0.5544 0.5544 0.9825 0.9825
1.1608 1.1608 3.9267 3.9267 4.4346 4.4346 4.5924 4.5924
7.4322 7.4322 8.4810 8.4810 8.6034 8.6034 9.9567 9.9567
k = 0.1774 0.5000-0.0000 ( 5706 PWs) bands (ev):
-25.3927 -25.3927 -25.3658 -25.3658 -25.3405 -25.3405 -10.8116 -10.8116
-10.3987 -10.3987 -9.2110 -9.2110 -9.1453 -9.1453 -9.0989 -9.0989
-8.9839 -8.9839 -8.9610 -8.9610 -8.8826 -8.8826 -8.6375 -8.6375
-8.5312 -8.5312 -8.0900 -8.0900 0.5562 0.5562 0.9777 0.9777
1.1546 1.1546 3.9262 3.9262 4.4021 4.4021 4.5885 4.5885
7.4772 7.4772 8.4950 8.4950 8.6463 8.6463 9.9587 9.9587
k = 0.1935 0.5000-0.0000 ( 5710 PWs) bands (ev):
-25.3918 -25.3918 -25.3658 -25.3658 -25.3414 -25.3414 -10.8114 -10.8114
-10.4133 -10.4133 -9.2110 -9.2110 -9.1470 -9.1470 -9.0970 -9.0970
-8.9851 -8.9851 -8.9603 -8.9603 -8.8769 -8.8769 -8.6374 -8.6374
-8.5246 -8.5246 -8.0808 -8.0808 0.5580 0.5580 0.9727 0.9727
1.1484 1.1484 3.9256 3.9256 4.3682 4.3682 4.5845 4.5845
7.5254 7.5254 8.5094 8.5094 8.6928 8.6928 9.9607 9.9609
k = 0.2097 0.5000-0.0000 ( 5708 PWs) bands (ev):
-25.3908 -25.3908 -25.3658 -25.3658 -25.3422 -25.3422 -10.8112 -10.8112
-10.4282 -10.4282 -9.2112 -9.2112 -9.1486 -9.1486 -9.0951 -9.0951
-8.9863 -8.9863 -8.9597 -8.9597 -8.8714 -8.8714 -8.6379 -8.6379
-8.5177 -8.5177 -8.0709 -8.0709 0.5595 0.5595 0.9675 0.9675
1.1424 1.1424 3.9248 3.9248 4.3334 4.3334 4.5803 4.5803
7.5763 7.5763 8.5240 8.5240 8.7427 8.7427 9.9319 9.9319
k = 0.2258 0.5000-0.0000 ( 5700 PWs) bands (ev):
-25.3898 -25.3898 -25.3658 -25.3658 -25.3432 -25.3432 -10.8110 -10.8110
-10.4432 -10.4432 -9.2116 -9.2116 -9.1502 -9.1502 -9.0931 -9.0931
-8.9873 -8.9873 -8.9592 -8.9592 -8.8659 -8.8659 -8.6388 -8.6388
-8.5106 -8.5106 -8.0604 -8.0604 0.5609 0.5609 0.9622 0.9622
1.1366 1.1366 3.9240 3.9240 4.2980 4.2980 4.5760 4.5760
7.6298 7.6298 8.5385 8.5385 8.7957 8.7957 9.8773 9.8773
k = 0.2419 0.5000-0.0000 ( 5704 PWs) bands (ev):
-25.3887 -25.3887 -25.3657 -25.3657 -25.3442 -25.3442 -10.8108 -10.8108
-10.4580 -10.4580 -9.2121 -9.2121 -9.1517 -9.1517 -9.0911 -9.0911
-8.9882 -8.9882 -8.9587 -8.9587 -8.8605 -8.8605 -8.6401 -8.6401
-8.5034 -8.5034 -8.0493 -8.0493 0.5620 0.5620 0.9568 0.9568
1.1311 1.1311 3.9230 3.9230 4.2624 4.2624 4.5717 4.5717
7.6855 7.6855 8.5526 8.5526 8.8514 8.8514 9.8255 9.8255
k = 0.2581 0.5000-0.0000 ( 5708 PWs) bands (ev):
-25.3876 -25.3876 -25.3657 -25.3657 -25.3453 -25.3453 -10.8106 -10.8106
-10.4727 -10.4727 -9.2128 -9.2128 -9.1532 -9.1532 -9.0891 -9.0891
-8.9889 -8.9889 -8.9584 -8.9584 -8.8553 -8.8553 -8.6417 -8.6417
-8.4964 -8.4964 -8.0379 -8.0379 0.5628 0.5628 0.9515 0.9515
1.1259 1.1259 3.9220 3.9220 4.2269 4.2269 4.5674 4.5674
7.7429 7.7429 8.5663 8.5663 8.9096 8.9096 9.7770 9.7770
k = 0.2742 0.5000-0.0000 ( 5708 PWs) bands (ev):
-25.3864 -25.3864 -25.3657 -25.3657 -25.3464 -25.3464 -10.8103 -10.8103
-10.4870 -10.4870 -9.2135 -9.2135 -9.1546 -9.1546 -9.0871 -9.0871
-8.9895 -8.9895 -8.9582 -8.9582 -8.8502 -8.8502 -8.6435 -8.6435
-8.4896 -8.4896 -8.0261 -8.0261 0.5633 0.5633 0.9463 0.9463
1.1210 1.1210 3.9208 3.9208 4.1919 4.1919 4.5631 4.5631
7.8017 7.8017 8.5791 8.5791 8.9697 8.9697 9.7320 9.7320
k = 0.2903 0.5000-0.0000 ( 5702 PWs) bands (ev):
-25.3851 -25.3851 -25.3657 -25.3657 -25.3475 -25.3475 -10.8101 -10.8101
-10.5008 -10.5008 -9.2142 -9.2142 -9.1560 -9.1560 -9.0851 -9.0851
-8.9899 -8.9899 -8.9581 -8.9581 -8.8454 -8.8454 -8.6455 -8.6455
-8.4832 -8.4832 -8.0143 -8.0143 0.5635 0.5635 0.9414 0.9414
1.1165 1.1165 3.9196 3.9196 4.1577 4.1577 4.5589 4.5589
7.8614 7.8614 8.5909 8.5909 9.0311 9.0311 9.6909 9.6909
k = 0.3065 0.5000-0.0000 ( 5698 PWs) bands (ev):
-25.3838 -25.3838 -25.3657 -25.3657 -25.3488 -25.3488 -10.8099 -10.8099
-10.5140 -10.5140 -9.2150 -9.2150 -9.1573 -9.1573 -9.0831 -9.0831
-8.9902 -8.9902 -8.9581 -8.9581 -8.8408 -8.8408 -8.6477 -8.6477
-8.4771 -8.4771 -8.0024 -8.0024 0.5634 0.5634 0.9367 0.9367
1.1124 1.1124 3.9183 3.9183 4.1248 4.1248 4.5548 4.5548
7.9216 7.9216 8.6016 8.6016 9.0929 9.0929 9.6538 9.6538
k = 0.3226 0.5000-0.0000 ( 5698 PWs) bands (ev):
-25.3825 -25.3825 -25.3656 -25.3656 -25.3500 -25.3500 -10.8098 -10.8098
-10.5265 -10.5265 -9.2158 -9.2158 -9.1586 -9.1586 -9.0813 -9.0813
-8.9904 -8.9904 -8.9582 -8.9582 -8.8365 -8.8365 -8.6498 -8.6498
-8.4714 -8.4714 -7.9907 -7.9907 0.5630 0.5630 0.9323 0.9323
1.1087 1.1087 3.9171 3.9171 4.0932 4.0932 4.5508 4.5508
7.9816 7.9816 8.6109 8.6109 9.1542 9.1542 9.6210 9.6210
k = 0.3387 0.5000-0.0000 ( 5686 PWs) bands (ev):
-25.3811 -25.3811 -25.3656 -25.3656 -25.3513 -25.3513 -10.8096 -10.8096
-10.5382 -10.5382 -9.2166 -9.2166 -9.1598 -9.1598 -9.0795 -9.0795
-8.9904 -8.9904 -8.9583 -8.9583 -8.8324 -8.8324 -8.6520 -8.6520
-8.4663 -8.4663 -7.9793 -7.9793 0.5624 0.5624 0.9283 0.9283
1.1055 1.1055 3.9158 3.9158 4.0635 4.0635 4.5471 4.5471
8.0411 8.0411 8.6187 8.6187 9.2136 9.2136 9.5924 9.5924
k = 0.3548 0.5000-0.0000 ( 5690 PWs) bands (ev):
-25.3797 -25.3797 -25.3656 -25.3656 -25.3527 -25.3527 -10.8094 -10.8094
-10.5490 -10.5490 -9.2173 -9.2173 -9.1610 -9.1610 -9.0778 -9.0778
-8.9904 -8.9904 -8.9585 -8.9585 -8.8287 -8.8287 -8.6542 -8.6542
-8.4616 -8.4616 -7.9684 -7.9684 0.5615 0.5615 0.9247 0.9247
1.1025 1.1025 3.9145 3.9145 4.0358 4.0358 4.5436 4.5436
8.0992 8.0992 8.6252 8.6252 9.2695 9.2695 9.5683 9.5683
k = 0.3710 0.5000-0.0000 ( 5702 PWs) bands (ev):
-25.3783 -25.3783 -25.3656 -25.3656 -25.3541 -25.3541 -10.8093 -10.8093
-10.5589 -10.5589 -9.2180 -9.2180 -9.1620 -9.1620 -9.0763 -9.0763
-8.9902 -8.9902 -8.9588 -8.9588 -8.8254 -8.8254 -8.6563 -8.6563
-8.4575 -8.4575 -7.9582 -7.9582 0.5605 0.5605 0.9216 0.9216
1.1000 1.1000 3.9132 3.9132 4.0103 4.0103 4.5404 4.5404
8.1553 8.1553 8.6302 8.6302 9.3199 9.3199 9.5487 9.5487
k = 0.3871 0.5000-0.0000 ( 5712 PWs) bands (ev):
-25.3768 -25.3768 -25.3656 -25.3656 -25.3555 -25.3555 -10.8091 -10.8091
-10.5678 -10.5678 -9.2186 -9.2186 -9.1630 -9.1630 -9.0749 -9.0749
-8.9900 -8.9900 -8.9591 -8.9591 -8.8223 -8.8223 -8.6583 -8.6583
-8.4539 -8.4539 -7.9488 -7.9488 0.5594 0.5594 0.9188 0.9188
1.0978 1.0978 3.9121 3.9121 3.9874 3.9874 4.5375 4.5375
8.2085 8.2085 8.6339 8.6339 9.3624 9.3624 9.5341 9.5341
k = 0.4032 0.5000-0.0000 ( 5716 PWs) bands (ev):
-25.3753 -25.3753 -25.3656 -25.3656 -25.3569 -25.3569 -10.8090 -10.8090
-10.5756 -10.5756 -9.2192 -9.2192 -9.1639 -9.1639 -9.0737 -9.0737
-8.9898 -8.9898 -8.9594 -8.9594 -8.8197 -8.8197 -8.6601 -8.6601
-8.4508 -8.4508 -7.9404 -7.9404 0.5583 0.5583 0.9164 0.9164
1.0959 1.0959 3.9109 3.9109 3.9672 3.9672 4.5349 4.5349
8.2579 8.2579 8.6366 8.6366 9.3949 9.3949 9.5247 9.5247
k = 0.4194 0.5000-0.0000 ( 5712 PWs) bands (ev):
-25.3738 -25.3738 -25.3655 -25.3655 -25.3584 -25.3584 -10.8089 -10.8089
-10.5823 -10.5823 -9.2197 -9.2197 -9.1647 -9.1647 -9.0726 -9.0726
-8.9895 -8.9895 -8.9597 -8.9597 -8.8174 -8.8174 -8.6616 -8.6616
-8.4482 -8.4482 -7.9330 -7.9330 0.5572 0.5573 0.9145 0.9145
1.0944 1.0944 3.9098 3.9098 3.9499 3.9499 4.5327 4.5327
8.3026 8.3026 8.6383 8.6383 9.4159 9.4159 9.5211 9.5211
k = 0.4355 0.5000-0.0000 ( 5724 PWs) bands (ev):
-25.3723 -25.3723 -25.3655 -25.3655 -25.3599 -25.3599 -10.8088 -10.8088
-10.5878 -10.5878 -9.2201 -9.2201 -9.1653 -9.1653 -9.0717 -9.0717
-8.9893 -8.9893 -8.9599 -8.9599 -8.8155 -8.8155 -8.6630 -8.6630
-8.4460 -8.4460 -7.9269 -7.9269 0.5563 0.5563 0.9129 0.9129
1.0932 1.0932 3.9087 3.9087 3.9357 3.9357 4.5309 4.5309
8.3413 8.3413 8.6393 8.6393 9.4265 9.4265 9.5218 9.5218
k = 0.4516 0.5000-0.0000 ( 5722 PWs) bands (ev):
-25.3708 -25.3708 -25.3655 -25.3655 -25.3614 -25.3614 -10.8087 -10.8087
-10.5921 -10.5921 -9.2204 -9.2204 -9.1659 -9.1659 -9.0710 -9.0710
-8.9891 -8.9891 -8.9602 -8.9602 -8.8140 -8.8140 -8.6640 -8.6640
-8.4444 -8.4444 -7.9220 -7.9220 0.5555 0.5555 0.9117 0.9117
1.0922 1.0922 3.9074 3.9074 3.9250 3.9250 4.5294 4.5294
8.3730 8.3730 8.6399 8.6399 9.4303 9.4303 9.5243 9.5243
k = 0.4677 0.5000-0.0000 ( 5706 PWs) bands (ev):
-25.3692 -25.3692 -25.3655 -25.3655 -25.3629 -25.3629 -10.8087 -10.8087
-10.5952 -10.5952 -9.2206 -9.2206 -9.1662 -9.1662 -9.0705 -9.0705
-8.9889 -8.9889 -8.9603 -8.9603 -8.8129 -8.8129 -8.6648 -8.6648
-8.4432 -8.4432 -7.9184 -7.9184 0.5548 0.5548 0.9109 0.9109
1.0915 1.0915 3.9057 3.9057 3.9180 3.9180 4.5284 4.5284
8.3966 8.3966 8.6401 8.6401 9.4308 9.4308 9.5267 9.5267
k = 0.4839 0.5000-0.0000 ( 5712 PWs) bands (ev):
-25.3677 -25.3677 -25.3655 -25.3655 -25.3644 -25.3644 -10.8087 -10.8087
-10.5971 -10.5971 -9.2207 -9.2207 -9.1665 -9.1665 -9.0702 -9.0702
-8.9888 -8.9888 -8.9604 -8.9604 -8.8123 -8.8123 -8.6653 -8.6653
-8.4425 -8.4425 -7.9163 -7.9163 0.5545 0.5545 0.9104 0.9104
1.0912 1.0912 3.9039 3.9039 3.9146 3.9146 4.5277 4.5277
8.4111 8.4111 8.6402 8.6402 9.4304 9.4304 9.5280 9.5280
k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev):
-25.3666 -25.3666 -25.3655 -25.3655 -25.3655 -25.3655 -10.8086 -10.8086
-10.5977 -10.5977 -9.2208 -9.2208 -9.1665 -9.1665 -9.0701 -9.0701
-8.9887 -8.9887 -8.9605 -8.9605 -8.8121 -8.8121 -8.6654 -8.6654
-8.4423 -8.4423 -7.9155 -7.9155 0.5543 0.5543 0.9102 0.9102
1.0910 1.0910 3.9031 3.9031 3.9136 3.9136 4.5275 4.5275
8.4161 8.4161 8.6402 8.6402 9.4302 9.4302 9.5284 9.5284
k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev):
-25.3666 -25.3666 -25.3655 -25.3655 -25.3655 -25.3655 -10.8086 -10.8086
-10.5977 -10.5977 -9.2208 -9.2208 -9.1665 -9.1665 -9.0701 -9.0701
-8.9887 -8.9887 -8.9605 -8.9605 -8.8121 -8.8121 -8.6654 -8.6654
-8.4423 -8.4423 -7.9155 -7.9155 0.5543 0.5543 0.9102 0.9102
1.0910 1.0910 3.9031 3.9031 3.9136 3.9136 4.5275 4.5275
8.4161 8.4161 8.6402 8.6402 9.4302 9.4302 9.5284 9.5284
k = 0.4884 0.4884-0.0000 ( 5712 PWs) bands (ev):
-25.3677 -25.3677 -25.3655 -25.3655 -25.3644 -25.3644 -10.8087 -10.8087
-10.5971 -10.5971 -9.2207 -9.2207 -9.1665 -9.1665 -9.0702 -9.0702
-8.9888 -8.9888 -8.9604 -8.9604 -8.8123 -8.8123 -8.6652 -8.6652
-8.4425 -8.4425 -7.9163 -7.9163 0.5545 0.5545 0.9104 0.9104
1.0912 1.0912 3.9040 3.9040 3.9146 3.9146 4.5278 4.5278
8.4109 8.4109 8.6403 8.6403 9.4304 9.4304 9.5280 9.5280
k = 0.4767 0.4767-0.0000 ( 5714 PWs) bands (ev):
-25.3693 -25.3693 -25.3654 -25.3654 -25.3629 -25.3629 -10.8087 -10.8087
-10.5951 -10.5951 -9.2206 -9.2206 -9.1662 -9.1662 -9.0705 -9.0705
-8.9889 -8.9889 -8.9603 -8.9603 -8.8130 -8.8130 -8.6648 -8.6648
-8.4433 -8.4433 -7.9185 -7.9185 0.5549 0.5549 0.9109 0.9109
1.0916 1.0916 3.9067 3.9067 3.9173 3.9173 4.5284 4.5284
8.3949 8.3949 8.6411 8.6411 9.4299 9.4299 9.5274 9.5274
k = 0.4651 0.4651-0.0000 ( 5712 PWs) bands (ev):
-25.3710 -25.3710 -25.3652 -25.3652 -25.3615 -25.3615 -10.8087 -10.8087
-10.5919 -10.5919 -9.2204 -9.2204 -9.1658 -9.1658 -9.0711 -9.0711
-8.9891 -8.9891 -8.9601 -8.9601 -8.8141 -8.8141 -8.6639 -8.6639
-8.4444 -8.4444 -7.9223 -7.9223 0.5556 0.5556 0.9118 0.9118
1.0923 1.0923 3.9111 3.9111 3.9220 3.9220 4.5295 4.5295
8.3675 8.3675 8.6443 8.6443 9.4259 9.4259 9.5279 9.5279
k = 0.4535 0.4535-0.0000 ( 5724 PWs) bands (ev):
-25.3727 -25.3727 -25.3649 -25.3649 -25.3601 -25.3601 -10.8088 -10.8088
-10.5874 -10.5874 -9.2201 -9.2201 -9.1653 -9.1653 -9.0718 -9.0718
-8.9893 -8.9893 -8.9599 -8.9599 -8.8156 -8.8156 -8.6628 -8.6628
-8.4461 -8.4461 -7.9275 -7.9275 0.5565 0.5565 0.9131 0.9131
1.0932 1.0932 3.9171 3.9171 3.9286 3.9286 4.5310 4.5310
8.3287 8.3287 8.6509 8.6509 9.4155 9.4155 9.5303 9.5303
k = 0.4419 0.4419-0.0000 ( 5726 PWs) bands (ev):
-25.3745 -25.3745 -25.3646 -25.3646 -25.3587 -25.3587 -10.8089 -10.8089
-10.5815 -10.5815 -9.2196 -9.2196 -9.1647 -9.1647 -9.0728 -9.0728
-8.9896 -8.9896 -8.9596 -8.9596 -8.8176 -8.8176 -8.6615 -8.6615
-8.4482 -8.4482 -7.9341 -7.9341 0.5578 0.5578 0.9147 0.9147
1.0945 1.0945 3.9245 3.9245 3.9374 3.9374 4.5330 4.5330
8.2793 8.2793 8.6608 8.6608 9.3972 9.3972 9.5344 9.5344
k = 0.4302 0.4302-0.0000 ( 5710 PWs) bands (ev):
-25.3763 -25.3763 -25.3641 -25.3641 -25.3574 -25.3574 -10.8089 -10.8089
-10.5745 -10.5745 -9.2191 -9.2191 -9.1640 -9.1640 -9.0740 -9.0740
-8.9898 -8.9898 -8.9593 -8.9593 -8.8199 -8.8199 -8.6598 -8.6598
-8.4506 -8.4506 -7.9423 -7.9423 0.5593 0.5593 0.9169 0.9169
1.0960 1.0960 3.9334 3.9334 3.9481 3.9481 4.5354 4.5354
8.2209 8.2209 8.6729 8.6729 9.3709 9.3709 9.5388 9.5388
k = 0.4186 0.4186-0.0000 ( 5700 PWs) bands (ev):
-25.3781 -25.3781 -25.3637 -25.3637 -25.3561 -25.3561 -10.8090 -10.8090
-10.5662 -10.5662 -9.2186 -9.2186 -9.1631 -9.1631 -9.0755 -9.0755
-8.9900 -8.9900 -8.9590 -8.9590 -8.8226 -8.8226 -8.6579 -8.6579
-8.4535 -8.4535 -7.9518 -7.9518 0.5612 0.5612 0.9194 0.9194
1.0978 1.0978 3.9436 3.9436 3.9610 3.9610 4.5382 4.5382
8.1551 8.1551 8.6854 8.6854 9.3371 9.3371 9.5428 9.5428
k = 0.4070 0.4070-0.0000 ( 5690 PWs) bands (ev):
-25.3799 -25.3799 -25.3631 -25.3631 -25.3549 -25.3549 -10.8090 -10.8090
-10.5566 -10.5566 -9.2179 -9.2179 -9.1623 -9.1623 -9.0772 -9.0772
-8.9902 -8.9902 -8.9586 -8.9586 -8.8256 -8.8256 -8.6558 -8.6558
-8.4566 -8.4566 -7.9626 -7.9626 0.5634 0.5634 0.9225 0.9225
1.1000 1.1000 3.9552 3.9552 3.9757 3.9757 4.5414 4.5414
8.0835 8.0835 8.6961 8.6961 9.2966 9.2966 9.5470 9.5470
k = 0.3953 0.3953-0.0000 ( 5682 PWs) bands (ev):
-25.3818 -25.3818 -25.3625 -25.3625 -25.3537 -25.3537 -10.8091 -10.8091
-10.5458 -10.5458 -9.2172 -9.2172 -9.1614 -9.1614 -9.0791 -9.0791
-8.9903 -8.9903 -8.9583 -8.9583 -8.8290 -8.8290 -8.6536 -8.6536
-8.4601 -8.4601 -7.9748 -7.9748 0.5660 0.5660 0.9262 0.9262
1.1024 1.1024 3.9682 3.9682 3.9924 3.9924 4.5450 4.5450
8.0071 8.0071 8.7026 8.7026 9.2498 9.2498 9.5533 9.5533
k = 0.3837 0.3837-0.0000 ( 5688 PWs) bands (ev):
-25.3837 -25.3837 -25.3618 -25.3618 -25.3526 -25.3526 -10.8090 -10.8090
-10.5339 -10.5339 -9.2165 -9.2165 -9.1605 -9.1605 -9.0813 -9.0813
-8.9903 -8.9903 -8.9580 -8.9580 -8.8326 -8.8326 -8.6512 -8.6512
-8.4638 -8.4638 -7.9883 -7.9883 0.5689 0.5689 0.9304 0.9304
1.1052 1.1052 3.9825 3.9825 4.0108 4.0108 4.5490 4.5490
7.9271 7.9271 8.7028 8.7028 9.1975 9.1975 9.5642 9.5642
k = 0.3721 0.3721-0.0000 ( 5684 PWs) bands (ev):
-25.3856 -25.3856 -25.3611 -25.3611 -25.3515 -25.3515 -10.8090 -10.8090
-10.5208 -10.5208 -9.2158 -9.2158 -9.1597 -9.1597 -9.0838 -9.0838
-8.9902 -8.9902 -8.9577 -8.9577 -8.8365 -8.8365 -8.6488 -8.6488
-8.4678 -8.4678 -8.0030 -8.0030 0.5723 0.5723 0.9352 0.9352
1.1082 1.1082 3.9982 3.9982 4.0308 4.0308 4.5534 4.5534
7.8443 7.8443 8.6948 8.6948 9.1401 9.1401 9.5820 9.5820
k = 0.3605 0.3605-0.0000 ( 5692 PWs) bands (ev):
-25.3876 -25.3876 -25.3603 -25.3603 -25.3504 -25.3504 -10.8089 -10.8089
-10.5066 -10.5066 -9.2151 -9.2151 -9.1589 -9.1589 -9.0865 -9.0865
-8.9900 -8.9900 -8.9576 -8.9576 -8.8407 -8.8407 -8.6463 -8.6463
-8.4719 -8.4719 -8.0189 -8.0189 0.5760 0.5760 0.9407 0.9407
1.1116 1.1116 4.0151 4.0151 4.0524 4.0524 4.5581 4.5581
7.7592 7.7592 8.6779 8.6779 9.0785 9.0785 9.6077 9.6077
k = 0.3488 0.3488-0.0000 ( 5680 PWs) bands (ev):
-25.3895 -25.3895 -25.3594 -25.3594 -25.3494 -25.3494 -10.8087 -10.8087
-10.4912 -10.4912 -9.2145 -9.2145 -9.1581 -9.1581 -9.0894 -9.0894
-8.9897 -8.9897 -8.9575 -8.9575 -8.8449 -8.8449 -8.6437 -8.6437
-8.4760 -8.4760 -8.0359 -8.0359 0.5803 0.5803 0.9468 0.9468
1.1153 1.1153 4.0334 4.0334 4.0754 4.0754 4.5632 4.5632
7.6724 7.6724 8.6519 8.6519 9.0131 9.0131 9.6411 9.6411
k = 0.3372 0.3372-0.0000 ( 5684 PWs) bands (ev):
-25.3915 -25.3915 -25.3586 -25.3586 -25.3485 -25.3485 -10.8084 -10.8084
-10.4749 -10.4749 -9.2139 -9.2139 -9.1574 -9.1574 -9.0927 -9.0927
-8.9892 -8.9892 -8.9575 -8.9575 -8.8493 -8.8493 -8.6412 -8.6412
-8.4802 -8.4802 -8.0540 -8.0540 0.5850 0.5850 0.9536 0.9536
1.1193 1.1193 4.0529 4.0529 4.0997 4.0997 4.5686 4.5686
7.5844 7.5844 8.6177 8.6177 8.9446 8.9446 9.6801 9.6801
k = 0.3256 0.3256-0.0000 ( 5688 PWs) bands (ev):
-25.3934 -25.3934 -25.3576 -25.3576 -25.3476 -25.3476 -10.8081 -10.8081
-10.4575 -10.4575 -9.2135 -9.2135 -9.1567 -9.1567 -9.0961 -9.0961
-8.9886 -8.9886 -8.9576 -8.9576 -8.8538 -8.8538 -8.6388 -8.6388
-8.4845 -8.4845 -8.0730 -8.0730 0.5903 0.5903 0.9610 0.9610
1.1236 1.1236 4.0735 4.0735 4.1251 4.1251 4.5743 4.5743
7.4955 7.4955 8.5767 8.5767 8.8737 8.8737 9.6902 9.6902
k = 0.3140 0.3140-0.0000 ( 5706 PWs) bands (ev):
-25.3954 -25.3954 -25.3567 -25.3567 -25.3467 -25.3467 -10.8076 -10.8076
-10.4391 -10.4391 -9.2132 -9.2132 -9.1562 -9.1562 -9.0998 -9.0998
-8.9879 -8.9879 -8.9578 -8.9578 -8.8583 -8.8583 -8.6364 -8.6364
-8.4887 -8.4887 -8.0930 -8.0930 0.5961 0.5961 0.9692 0.9692
1.1282 1.1282 4.0953 4.0953 4.1516 4.1516 4.5803 4.5803
7.4060 7.4060 8.5301 8.5301 8.8010 8.8010 9.6559 9.6559
k = 0.3023 0.3023-0.0000 ( 5708 PWs) bands (ev):
-25.3973 -25.3973 -25.3557 -25.3557 -25.3459 -25.3459 -10.8071 -10.8071
-10.4199 -10.4199 -9.2132 -9.2132 -9.1558 -9.1558 -9.1037 -9.1037
-8.9870 -8.9870 -8.9582 -8.9582 -8.8627 -8.8627 -8.6342 -8.6342
-8.4928 -8.4928 -8.1137 -8.1137 0.6025 0.6025 0.9780 0.9780
1.1330 1.1330 4.1181 4.1181 4.1791 4.1791 4.5865 4.5865
7.3163 7.3163 8.4794 8.4794 8.7269 8.7269 9.6211 9.6211
k = 0.2907 0.2907-0.0000 ( 5708 PWs) bands (ev):
-25.3992 -25.3992 -25.3547 -25.3547 -25.3451 -25.3451 -10.8064 -10.8064
-10.3997 -10.3997 -9.2133 -9.2133 -9.1555 -9.1555 -9.1079 -9.1079
-8.9860 -8.9860 -8.9587 -8.9587 -8.8671 -8.8671 -8.6321 -8.6321
-8.4968 -8.4968 -8.1351 -8.1351 0.6094 0.6094 0.9875 0.9875
1.1382 1.1382 4.1420 4.1420 4.2072 4.2072 4.5930 4.5930
7.2265 7.2265 8.4255 8.4255 8.6520 8.6520 9.5860 9.5860
k = 0.2791 0.2791-0.0000 ( 5714 PWs) bands (ev):
-25.4011 -25.4011 -25.3537 -25.3537 -25.3444 -25.3444 -10.8057 -10.8057
-10.3787 -10.3787 -9.2137 -9.2137 -9.1554 -9.1554 -9.1123 -9.1123
-8.9850 -8.9850 -8.9593 -8.9593 -8.8713 -8.8713 -8.6302 -8.6302
-8.5005 -8.5005 -8.1572 -8.1572 0.6170 0.6170 0.9976 0.9976
1.1435 1.1435 4.1667 4.1667 4.2360 4.2360 4.5997 4.5997
7.1369 7.1369 8.3697 8.3697 8.5767 8.5767 9.5508 9.5508
k = 0.2674 0.2674-0.0000 ( 5710 PWs) bands (ev):
-25.4030 -25.4030 -25.3526 -25.3526 -25.3437 -25.3437 -10.8048 -10.8048
-10.3570 -10.3570 -9.2143 -9.2143 -9.1555 -9.1555 -9.1168 -9.1168
-8.9838 -8.9838 -8.9600 -8.9600 -8.8753 -8.8753 -8.6286 -8.6286
-8.5041 -8.5041 -8.1798 -8.1798 0.6251 0.6251 1.0084 1.0084
1.1491 1.1491 4.1923 4.1923 4.2652 4.2652 4.6066 4.6066
7.0478 7.0478 8.3125 8.3125 8.5016 8.5016 9.5156 9.5156
k = 0.2558 0.2558-0.0000 ( 5700 PWs) bands (ev):
-25.4049 -25.4049 -25.3516 -25.3516 -25.3430 -25.3430 -10.8039 -10.8039
-10.3346 -10.3346 -9.2151 -9.2151 -9.1557 -9.1557 -9.1215 -9.1215
-8.9826 -8.9826 -8.9608 -8.9608 -8.8790 -8.8790 -8.6272 -8.6272
-8.5074 -8.5074 -8.2028 -8.2028 0.6338 0.6338 1.0197 1.0197
1.1549 1.1549 4.2186 4.2186 4.2948 4.2948 4.6136 4.6136
6.9593 6.9593 8.2547 8.2547 8.4269 8.4269 9.4807 9.4807
k = 0.2442 0.2442-0.0000 ( 5700 PWs) bands (ev):
-25.4067 -25.4067 -25.3505 -25.3505 -25.3424 -25.3424 -10.8028 -10.8028
-10.3116 -10.3116 -9.2162 -9.2162 -9.1563 -9.1563 -9.1264 -9.1264
-8.9814 -8.9814 -8.9617 -8.9617 -8.8825 -8.8825 -8.6262 -8.6262
-8.5105 -8.5105 -8.2260 -8.2260 0.6430 0.6430 1.0316 1.0316
1.1609 1.1609 4.2456 4.2456 4.3245 4.3245 4.6208 4.6208
6.8716 6.8716 8.1967 8.1967 8.3532 8.3532 9.4462 9.4462
k = 0.2326 0.2326-0.0000 ( 5714 PWs) bands (ev):
-25.4085 -25.4085 -25.3494 -25.3494 -25.3418 -25.3418 -10.8016 -10.8016
-10.2880 -10.2880 -9.2176 -9.2176 -9.1573 -9.1573 -9.1314 -9.1314
-8.9801 -8.9801 -8.9626 -8.9626 -8.8857 -8.8857 -8.6256 -8.6256
-8.5132 -8.5132 -8.2494 -8.2494 0.6526 0.6526 1.0441 1.0441
1.1671 1.1671 4.2732 4.2732 4.3543 4.3543 4.6280 4.6280
6.7849 6.7849 8.1391 8.1391 8.2806 8.2806 9.4122 9.4122
k = 0.2209 0.2209-0.0000 ( 5716 PWs) bands (ev):
-25.4102 -25.4102 -25.3484 -25.3484 -25.3412 -25.3412 -10.8004 -10.8004
-10.2640 -10.2640 -9.2192 -9.2192 -9.1587 -9.1587 -9.1364 -9.1364
-8.9789 -8.9789 -8.9636 -8.9636 -8.8885 -8.8885 -8.6253 -8.6253
-8.5156 -8.5156 -8.2728 -8.2728 0.6626 0.6626 1.0569 1.0569
1.1733 1.1733 4.3012 4.3012 4.3838 4.3838 4.6353 4.6353
6.6994 6.6994 8.0823 8.0823 8.2095 8.2095 9.3790 9.3791
k = 0.2093 0.2093-0.0000 ( 5710 PWs) bands (ev):
-25.4119 -25.4119 -25.3473 -25.3473 -25.3407 -25.3407 -10.7990 -10.7990
-10.2396 -10.2396 -9.2209 -9.2209 -9.1608 -9.1608 -9.1412 -9.1412
-8.9778 -8.9778 -8.9645 -8.9645 -8.8909 -8.8909 -8.6254 -8.6254
-8.5177 -8.5177 -8.2960 -8.2960 0.6730 0.6730 1.0702 1.0702
1.1797 1.1797 4.3296 4.3296 4.4131 4.4131 4.6426 4.6426
6.6153 6.6153 8.0265 8.0265 8.1404 8.1404 9.3467 9.3467
k = 0.1977 0.1977-0.0000 ( 5706 PWs) bands (ev):
-25.4135 -25.4135 -25.3463 -25.3463 -25.3402 -25.3402 -10.7976 -10.7976
-10.2150 -10.2150 -9.2229 -9.2229 -9.1637 -9.1637 -9.1457 -9.1457
-8.9767 -8.9767 -8.9654 -8.9654 -8.8930 -8.8930 -8.6260 -8.6260
-8.5195 -8.5195 -8.3189 -8.3189 0.6836 0.6836 1.0839 1.0839
1.1861 1.1861 4.3583 4.3583 4.4419 4.4419 4.6499 4.6499
6.5328 6.5328 7.9721 7.9721 8.0733 8.0733 9.3154 9.3154
k = 0.1860 0.1860-0.0000 ( 5714 PWs) bands (ev):
-25.4151 -25.4151 -25.3453 -25.3453 -25.3398 -25.3398 -10.7961 -10.7961
-10.1902 -10.1902 -9.2249 -9.2249 -9.1676 -9.1676 -9.1497 -9.1497
-8.9758 -8.9758 -8.9662 -8.9662 -8.8948 -8.8948 -8.6270 -8.6270
-8.5210 -8.5210 -8.3413 -8.3413 0.6944 0.6944 1.0978 1.0978
1.1925 1.1925 4.3872 4.3872 4.4701 4.4701 4.6571 4.6571
6.4520 6.4520 7.9193 7.9193 8.0086 8.0086 9.2853 9.2853
k = 0.1744 0.1744-0.0000 ( 5702 PWs) bands (ev):
-25.4166 -25.4166 -25.3443 -25.3443 -25.3393 -25.3393 -10.7946 -10.7946
-10.1654 -10.1654 -9.2271 -9.2271 -9.1724 -9.1724 -9.1532 -9.1532
-8.9749 -8.9749 -8.9670 -8.9670 -8.8962 -8.8962 -8.6286 -8.6286
-8.5222 -8.5222 -8.3630 -8.3630 0.7051 0.7051 1.1119 1.1119
1.1988 1.1988 4.4161 4.4161 4.4975 4.4975 4.6642 4.6642
6.3733 6.3733 7.8684 7.8684 7.9466 7.9466 9.2564 9.2564
k = 0.1628 0.1628-0.0000 ( 5702 PWs) bands (ev):
-25.4180 -25.4180 -25.3434 -25.3434 -25.3389 -25.3389 -10.7931 -10.7931
-10.1406 -10.1406 -9.2293 -9.2293 -9.1780 -9.1780 -9.1563 -9.1563
-8.9743 -8.9743 -8.9676 -8.9676 -8.8972 -8.8972 -8.6306 -8.6306
-8.5231 -8.5231 -8.3839 -8.3839 0.7158 0.7158 1.1261 1.1261
1.2051 1.2051 4.4450 4.4450 4.5239 4.5239 4.6712 4.6712
6.2968 6.2968 7.8196 7.8196 7.8875 7.8875 9.2289 9.2289
k = 0.1512 0.1512-0.0000 ( 5693 PWs) bands (ev):
-25.4194 -25.4194 -25.3425 -25.3425 -25.3386 -25.3386 -10.7915 -10.7915
-10.1162 -10.1162 -9.2316 -9.2316 -9.1842 -9.1842 -9.1592 -9.1592
-8.9737 -8.9737 -8.9681 -8.9681 -8.8980 -8.8980 -8.6331 -8.6331
-8.5237 -8.5237 -8.4037 -8.4037 0.7263 0.7263 1.1403 1.1403
1.2113 1.2113 4.4736 4.4736 4.5493 4.5493 4.6780 4.6780
6.2228 6.2228 7.7731 7.7731 7.8314 7.8314 9.2028 9.2028
k = 0.1395 0.1395-0.0000 ( 5689 PWs) bands (ev):
-25.4207 -25.4207 -25.3417 -25.3417 -25.3382 -25.3382 -10.7900 -10.7900
-10.0921 -10.0921 -9.2339 -9.2339 -9.1907 -9.1907 -9.1620 -9.1620
-8.9734 -8.9734 -8.9686 -8.9686 -8.8984 -8.8984 -8.6362 -8.6362
-8.5242 -8.5242 -8.4223 -8.4223 0.7365 0.7365 1.1544 1.1544
1.2173 1.2173 4.5019 4.5019 4.5735 4.5735 4.6845 4.6845
6.1516 6.1516 7.7292 7.7292 7.7787 7.7787 9.1783 9.1783
k = 0.1279 0.1279-0.0000 ( 5685 PWs) bands (ev):
-25.4218 -25.4218 -25.3409 -25.3409 -25.3379 -25.3379 -10.7885 -10.7885
-10.0686 -10.0686 -9.2361 -9.2361 -9.1975 -9.1975 -9.1647 -9.1647
-8.9731 -8.9731 -8.9690 -8.9690 -8.8986 -8.8986 -8.6397 -8.6397
-8.5244 -8.5244 -8.4395 -8.4395 0.7463 0.7463 1.1682 1.1682
1.2231 1.2231 4.5297 4.5297 4.5963 4.5963 4.6907 4.6907
6.0835 6.0835 7.6880 7.6880 7.7294 7.7294 9.1555 9.1555
k = 0.1163 0.1163-0.0000 ( 5687 PWs) bands (ev):
-25.4229 -25.4229 -25.3401 -25.3401 -25.3377 -25.3377 -10.7870 -10.7870
-10.0460 -10.0460 -9.2383 -9.2383 -9.2044 -9.2044 -9.1675 -9.1675
-8.9729 -8.9729 -8.9694 -8.9694 -8.8986 -8.8986 -8.6437 -8.6437
-8.5245 -8.5245 -8.4552 -8.4552 0.7556 0.7556 1.1816 1.1816
1.2285 1.2285 4.5568 4.5568 4.6177 4.6177 4.6967 4.6967
6.0188 6.0188 7.6497 7.6497 7.6838 7.6838 9.1344 9.1344
k = 0.1047 0.1047-0.0000 ( 5691 PWs) bands (ev):
-25.4239 -25.4239 -25.3395 -25.3395 -25.3374 -25.3374 -10.7856 -10.7856
-10.0243 -10.0243 -9.2405 -9.2405 -9.2112 -9.2112 -9.1701 -9.1701
-8.9728 -8.9728 -8.9698 -8.9698 -8.8984 -8.8984 -8.6481 -8.6481
-8.5246 -8.5246 -8.4692 -8.4692 0.7642 0.7642 1.1944 1.1944
1.2337 1.2337 4.5830 4.5830 4.6374 4.6374 4.7023 4.7023
5.9578 5.9578 7.6145 7.6145 7.6420 7.6420 9.1150 9.1150
k = 0.0930 0.0930-0.0000 ( 5679 PWs) bands (ev):
-25.4249 -25.4249 -25.3388 -25.3388 -25.3372 -25.3372 -10.7843 -10.7843
-10.0038 -10.0038 -9.2424 -9.2424 -9.2180 -9.2180 -9.1727 -9.1727
-8.9727 -8.9727 -8.9702 -8.9702 -8.8981 -8.8981 -8.6527 -8.6527
-8.5245 -8.5245 -8.4815 -8.4815 0.7722 0.7722 1.2064 1.2064
1.2385 1.2385 4.6080 4.6080 4.6554 4.6554 4.7075 4.7075
5.9011 5.9011 7.5826 7.5826 7.6042 7.6042 9.0976 9.0976
k = 0.0814 0.0814-0.0000 ( 5693 PWs) bands (ev):
-25.4257 -25.4257 -25.3383 -25.3383 -25.3370 -25.3370 -10.7831 -10.7831
-9.9849 -9.9849 -9.2443 -9.2443 -9.2246 -9.2246 -9.1751 -9.1751
-8.9726 -8.9726 -8.9706 -8.9706 -8.8978 -8.8978 -8.6574 -8.6574
-8.5244 -8.5244 -8.4920 -8.4920 0.7794 0.7794 1.2176 1.2176
1.2428 1.2428 4.6313 4.6313 4.6717 4.6717 4.7124 4.7124
5.8490 5.8490 7.5540 7.5540 7.5705 7.5705 9.0820 9.0820
k = 0.0698 0.0698-0.0000 ( 5679 PWs) bands (ev):
-25.4264 -25.4264 -25.3378 -25.3378 -25.3368 -25.3368 -10.7820 -10.7820
-9.9677 -9.9677 -9.2459 -9.2459 -9.2307 -9.2307 -9.1773 -9.1773
-8.9725 -8.9725 -8.9710 -8.9710 -8.8973 -8.8973 -8.6621 -8.6621
-8.5242 -8.5242 -8.5009 -8.5009 0.7857 0.7857 1.2277 1.2277
1.2467 1.2467 4.6527 4.6527 4.6861 4.6861 4.7169 4.7169
5.8021 5.8021 7.5290 7.5290 7.5411 7.5411 9.0685 9.0685
k = 0.0581 0.0581-0.0000 ( 5683 PWs) bands (ev):
-25.4270 -25.4270 -25.3374 -25.3374 -25.3367 -25.3367 -10.7810 -10.7810
-9.9525 -9.9525 -9.2474 -9.2474 -9.2364 -9.2364 -9.1792 -9.1792
-8.9725 -8.9725 -8.9714 -8.9714 -8.8969 -8.8969 -8.6665 -8.6665
-8.5241 -8.5241 -8.5081 -8.5081 0.7912 0.7912 1.2366 1.2366
1.2500 1.2500 4.6714 4.6714 4.6987 4.6987 4.7210 4.7210
5.7609 5.7609 7.5076 7.5076 7.5160 7.5160 9.0569 9.0569
k = 0.0465 0.0465-0.0000 ( 5687 PWs) bands (ev):
-25.4275 -25.4275 -25.3370 -25.3370 -25.3366 -25.3366 -10.7802 -10.7802
-9.9396 -9.9396 -9.2486 -9.2486 -9.2413 -9.2413 -9.1809 -9.1809
-8.9725 -8.9725 -8.9717 -8.9717 -8.8966 -8.8966 -8.6705 -8.6705
-8.5239 -8.5239 -8.5139 -8.5139 0.7957 0.7957 1.2441 1.2441
1.2528 1.2528 4.6867 4.6867 4.7097 4.7097 4.7249 4.7249
5.7260 5.7260 7.4899 7.4899 7.4953 7.4953 9.0474 9.0474
k = 0.0349 0.0349-0.0000 ( 5703 PWs) bands (ev):
-25.4279 -25.4279 -25.3368 -25.3368 -25.3365 -25.3365 -10.7796 -10.7796
-9.9293 -9.9293 -9.2496 -9.2496 -9.2454 -9.2454 -9.1822 -9.1822
-8.9724 -8.9724 -8.9720 -8.9720 -8.8963 -8.8963 -8.6738 -8.6738
-8.5238 -8.5238 -8.5182 -8.5182 0.7993 0.7993 1.2500 1.2500
1.2550 1.2550 4.6980 4.6980 4.7192 4.7192 4.7283 4.7283
5.6981 5.6981 7.4761 7.4761 7.4791 7.4791 9.0400 9.0400
k = 0.0233 0.0233-0.0000 ( 5715 PWs) bands (ev):
-25.4281 -25.4281 -25.3366 -25.3366 -25.3365 -25.3365 -10.7791 -10.7791
-9.9217 -9.9217 -9.2503 -9.2503 -9.2484 -9.2484 -9.1832 -9.1832
-8.9724 -8.9724 -8.9722 -8.9722 -8.8960 -8.8960 -8.6762 -8.6762
-8.5237 -8.5237 -8.5212 -8.5212 0.8019 0.8019 1.2544 1.2544
1.2566 1.2566 4.7053 4.7053 4.7269 4.7269 4.7311 4.7311
5.6776 5.6776 7.4662 7.4662 7.4675 7.4675 9.0346 9.0346
k = 0.0116 0.0116-0.0000 ( 5709 PWs) bands (ev):
-25.4283 -25.4283 -25.3365 -25.3365 -25.3364 -25.3364 -10.7789 -10.7789
-9.9171 -9.9171 -9.2508 -9.2508 -9.2503 -9.2503 -9.1837 -9.1837
-8.9724 -8.9724 -8.9724 -8.9724 -8.8959 -8.8959 -8.6777 -8.6777
-8.5236 -8.5236 -8.5230 -8.5230 0.8034 0.8034 1.2570 1.2570
1.2576 1.2576 4.7092 4.7092 4.7319 4.7319 4.7330 4.7330
5.6651 5.6651 7.4602 7.4602 7.4606 7.4606 9.0314 9.0317
k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev):
-25.4283 -25.4283 -25.3364 -25.3364 -25.3364 -25.3364 -10.7788 -10.7788
-9.9156 -9.9156 -9.2509 -9.2509 -9.2509 -9.2509 -9.1839 -9.1839
-8.9724 -8.9724 -8.9724 -8.9724 -8.8958 -8.8958 -8.6782 -8.6782
-8.5235 -8.5235 -8.5235 -8.5235 0.8039 0.8039 1.2579 1.2579
1.2579 1.2579 4.7105 4.7105 4.7337 4.7337 4.7337 4.7337
5.6609 5.6609 7.4583 7.4583 7.4583 7.4583 9.0300 9.0302
k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev):
-25.4283 -25.4283 -25.3364 -25.3364 -25.3364 -25.3364 -10.7788 -10.7788
-9.9156 -9.9156 -9.2509 -9.2509 -9.2509 -9.2509 -9.1839 -9.1839
-8.9724 -8.9724 -8.9724 -8.9724 -8.8958 -8.8958 -8.6782 -8.6782
-8.5235 -8.5235 -8.5235 -8.5235 0.8039 0.8039 1.2579 1.2579
1.2579 1.2579 4.7105 4.7105 4.7337 4.7337 4.7337 4.7337
5.6609 5.6609 7.4583 7.4583 7.4583 7.4583 9.0300 9.0307
k = 0.0094 0.0094 0.0094 ( 5719 PWs) bands (ev):
-25.4283 -25.4283 -25.3364 -25.3364 -25.3364 -25.3364 -10.7789 -10.7789
-9.9171 -9.9171 -9.2508 -9.2508 -9.2503 -9.2503 -9.1838 -9.1838
-8.9724 -8.9724 -8.9724 -8.9724 -8.8959 -8.8959 -8.6778 -8.6778
-8.5236 -8.5236 -8.5231 -8.5231 0.8034 0.8034 1.2571 1.2571
1.2575 1.2575 4.7093 4.7093 4.7321 4.7321 4.7328 4.7328
5.6651 5.6651 7.4603 7.4603 7.4604 7.4604 9.0315 9.0321
k = 0.0189 0.0189 0.0189 ( 5719 PWs) bands (ev):
-25.4282 -25.4282 -25.3365 -25.3365 -25.3365 -25.3365 -10.7791 -10.7791
-9.9217 -9.9217 -9.2503 -9.2503 -9.2485 -9.2485 -9.1832 -9.1832
-8.9725 -8.9725 -8.9722 -8.9722 -8.8960 -8.8960 -8.6763 -8.6763
-8.5236 -8.5236 -8.5214 -8.5214 0.8019 0.8019 1.2547 1.2547
1.2563 1.2563 4.7056 4.7056 4.7276 4.7276 4.7303 4.7303
5.6774 5.6774 7.4666 7.4666 7.4669 7.4669 9.0357 9.0361
k = 0.0283 0.0283 0.0283 ( 5707 PWs) bands (ev):
-25.4279 -25.4279 -25.3366 -25.3366 -25.3366 -25.3366 -10.7796 -10.7796
-9.9292 -9.9292 -9.2495 -9.2495 -9.2456 -9.2456 -9.1822 -9.1822
-8.9725 -8.9725 -8.9720 -8.9720 -8.8963 -8.8963 -8.6738 -8.6738
-8.5235 -8.5235 -8.5186 -8.5186 0.7994 0.7994 1.2508 1.2508
1.2543 1.2543 4.6992 4.6992 4.7207 4.7207 4.7260 4.7260
5.6976 5.6976 7.4771 7.4771 7.4776 7.4776 9.0428 9.0432
k = 0.0377 0.0377 0.0377 ( 5695 PWs) bands (ev):
-25.4275 -25.4275 -25.3368 -25.3368 -25.3368 -25.3368 -10.7802 -10.7802
-9.9394 -9.9394 -9.2483 -9.2483 -9.2417 -9.2417 -9.1809 -9.1809
-8.9725 -8.9725 -8.9717 -8.9717 -8.8965 -8.8965 -8.6704 -8.6704
-8.5235 -8.5235 -8.5145 -8.5145 0.7959 0.7959 1.2455 1.2455
1.2516 1.2516 4.6898 4.6898 4.7120 4.7120 4.7200 4.7200
5.7253 5.7253 7.4917 7.4917 7.4926 7.4926 9.0527 9.0530
k = 0.0472 0.0472 0.0472 ( 5683 PWs) bands (ev):
-25.4270 -25.4270 -25.3370 -25.3370 -25.3370 -25.3370 -10.7810 -10.7810
-9.9523 -9.9523 -9.2469 -9.2469 -9.2369 -9.2369 -9.1793 -9.1793
-8.9725 -8.9725 -8.9714 -8.9714 -8.8969 -8.8969 -8.6664 -8.6664
-8.5234 -8.5234 -8.5092 -8.5092 0.7914 0.7914 1.2387 1.2387
1.2481 1.2481 4.6772 4.6772 4.7023 4.7023 4.7124 4.7124
5.7598 5.7598 7.5105 7.5105 7.5119 7.5119 9.0653 9.0655
k = 0.0566 0.0566 0.0566 ( 5674 PWs) bands (ev):
-25.4264 -25.4264 -25.3373 -25.3373 -25.3373 -25.3373 -10.7819 -10.7819
-9.9675 -9.9675 -9.2453 -9.2453 -9.2313 -9.2313 -9.1775 -9.1775
-8.9725 -8.9725 -8.9711 -8.9711 -8.8972 -8.8972 -8.6617 -8.6617
-8.5233 -8.5233 -8.5025 -8.5025 0.7861 0.7861 1.2307 1.2307
1.2439 1.2439 4.6618 4.6618 4.6915 4.6915 4.7031 4.7031
5.8006 5.8006 7.5332 7.5332 7.5352 7.5352 9.0802 9.0808
k = 0.0660 0.0660 0.0660 ( 5680 PWs) bands (ev):
-25.4257 -25.4257 -25.3376 -25.3376 -25.3376 -25.3376 -10.7830 -10.7830
-9.9848 -9.9848 -9.2434 -9.2434 -9.2252 -9.2252 -9.1754 -9.1754
-8.9724 -8.9724 -8.9709 -8.9709 -8.8976 -8.8976 -8.6566 -8.6566
-8.5231 -8.5231 -8.4943 -8.4943 0.7799 0.7799 1.2216 1.2216
1.2391 1.2391 4.6442 4.6442 4.6797 4.6797 4.6923 4.6923
5.8471 5.8471 7.5598 7.5598 7.5625 7.5625 9.0979 9.0987
k = 0.0755 0.0755 0.0755 ( 5680 PWs) bands (ev):
-25.4249 -25.4249 -25.3380 -25.3380 -25.3380 -25.3380 -10.7842 -10.7842
-10.0040 -10.0040 -9.2414 -9.2414 -9.2187 -9.2187 -9.1731 -9.1731
-8.9723 -8.9723 -8.9707 -8.9707 -8.8978 -8.8978 -8.6513 -8.6513
-8.5230 -8.5230 -8.4846 -8.4846 0.7730 0.7730 1.2115 1.2115
1.2337 1.2337 4.6250 4.6250 4.6666 4.6666 4.6798 4.6798
5.8988 5.8988 7.5903 7.5903 7.5938 7.5938 9.1182 9.1187
k = 0.0849 0.0849 0.0849 ( 5686 PWs) bands (ev):
-25.4240 -25.4240 -25.3384 -25.3384 -25.3384 -25.3384 -10.7854 -10.7854
-10.0248 -10.0248 -9.2392 -9.2392 -9.2119 -9.2119 -9.1708 -9.1708
-8.9721 -8.9721 -8.9708 -8.9708 -8.8979 -8.8979 -8.6458 -8.6458
-8.5227 -8.5227 -8.4732 -8.4732 0.7653 0.7653 1.2005 1.2005
1.2278 1.2278 4.6046 4.6046 4.6521 4.6521 4.6659 4.6659
5.9552 5.9552 7.6244 7.6244 7.6288 7.6288 9.1408 9.1414
k = 0.0943 0.0943 0.0943 ( 5683 PWs) bands (ev):
-25.4230 -25.4230 -25.3389 -25.3389 -25.3389 -25.3389 -10.7868 -10.7868
-10.0471 -10.0471 -9.2369 -9.2369 -9.2049 -9.2049 -9.1683 -9.1683
-8.9717 -8.9717 -8.9710 -8.9710 -8.8979 -8.8979 -8.6402 -8.6402
-8.5225 -8.5225 -8.4603 -8.4603 0.7571 0.7571 1.1888 1.1888
1.2213 1.2213 4.5832 4.5832 4.6364 4.6364 4.6505 4.6505
6.0158 6.0158 7.6622 7.6622 7.6676 7.6676 9.1651 9.1659
k = 0.1038 0.1038 0.1038 ( 5695 PWs) bands (ev):
-25.4219 -25.4219 -25.3394 -25.3394 -25.3394 -25.3394 -10.7882 -10.7882
-10.0706 -10.0706 -9.2346 -9.2346 -9.1978 -9.1978 -9.1657 -9.1657
-8.9715 -8.9715 -8.9711 -8.9711 -8.8976 -8.8976 -8.6348 -8.6348
-8.5221 -8.5221 -8.4457 -8.4457 0.7482 0.7482 1.1766 1.1766
1.2145 1.2145 4.5612 4.5612 4.6193 4.6193 4.6336 4.6336
6.0802 6.0802 7.7035 7.7035 7.7099 7.7099 9.1920 9.1926
k = 0.1132 0.1132 0.1132 ( 5701 PWs) bands (ev):
-25.4208 -25.4208 -25.3399 -25.3399 -25.3399 -25.3399 -10.7896 -10.7896
-10.0950 -10.0950 -9.2323 -9.2323 -9.1909 -9.1909 -9.1630 -9.1630
-8.9724 -8.9724 -8.9703 -8.9703 -8.8971 -8.8971 -8.6295 -8.6295
-8.5217 -8.5217 -8.4296 -8.4296 0.7390 0.7390 1.1640 1.1640
1.2072 1.2072 4.5388 4.5388 4.6009 4.6009 4.6155 4.6155
6.1480 6.1480 7.7481 7.7481 7.7555 7.7555 9.2202 9.2214
k = 0.1226 0.1226 0.1226 ( 5713 PWs) bands (ev):
-25.4195 -25.4195 -25.3405 -25.3405 -25.3405 -25.3405 -10.7911 -10.7911
-10.1204 -10.1204 -9.2301 -9.2301 -9.1844 -9.1844 -9.1600 -9.1600
-8.9736 -8.9736 -8.9693 -8.9693 -8.8963 -8.8963 -8.6243 -8.6243
-8.5213 -8.5213 -8.4121 -8.4121 0.7294 0.7294 1.1512 1.1512
1.1997 1.1997 4.5160 4.5160 4.5813 4.5813 4.5960 4.5960
6.2190 6.2190 7.7958 7.7958 7.8044 7.8044 9.2509 9.2521
k = 0.1321 0.1321 0.1321 ( 5725 PWs) bands (ev):
-25.4182 -25.4182 -25.3411 -25.3411 -25.3411 -25.3411 -10.7925 -10.7925
-10.1463 -10.1463 -9.2281 -9.2281 -9.1787 -9.1787 -9.1564 -9.1564
-8.9752 -8.9752 -8.9679 -8.9679 -8.8951 -8.8951 -8.6192 -8.6192
-8.5207 -8.5207 -8.3933 -8.3933 0.7195 0.7195 1.1383 1.1383
1.1920 1.1920 4.4929 4.4929 4.5605 4.5605 4.5753 4.5753
6.2927 6.2927 7.8465 7.8465 7.8564 7.8564 9.2819 9.2839
k = 0.1415 0.1415 0.1415 ( 5719 PWs) bands (ev):
-25.4167 -25.4167 -25.3418 -25.3418 -25.3418 -25.3418 -10.7938 -10.7938
-10.1729 -10.1729 -9.2262 -9.2262 -9.1742 -9.1742 -9.1519 -9.1519
-8.9771 -8.9771 -8.9662 -8.9662 -8.8936 -8.8936 -8.6143 -8.6143
-8.5201 -8.5201 -8.3732 -8.3732 0.7095 0.7095 1.1255 1.1255
1.1842 1.1842 4.4697 4.4697 4.5385 4.5385 4.5535 4.5535
6.3690 6.3690 7.9001 7.9001 7.9112 7.9112 9.3143 9.3144
k = 0.1509 0.1509 0.1509 ( 5719 PWs) bands (ev):
-25.4153 -25.4153 -25.3424 -25.3424 -25.3424 -25.3424 -10.7952 -10.7952
-10.1998 -10.1998 -9.2245 -9.2245 -9.1711 -9.1711 -9.1463 -9.1463
-8.9794 -8.9794 -8.9641 -8.9641 -8.8917 -8.8917 -8.6095 -8.6095
-8.5193 -8.5193 -8.3522 -8.3522 0.6995 0.6995 1.1129 1.1129
1.1762 1.1762 4.4464 4.4464 4.5155 4.5155 4.5306 4.5306
6.4475 6.4475 7.9563 7.9563 7.9687 7.9687 9.3476 9.3477
k = 0.1604 0.1604 0.1604 ( 5722 PWs) bands (ev):
-25.4137 -25.4137 -25.3432 -25.3432 -25.3432 -25.3432 -10.7964 -10.7964
-10.2269 -10.2269 -9.2232 -9.2232 -9.1693 -9.1693 -9.1397 -9.1397
-8.9821 -8.9821 -8.9615 -8.9615 -8.8896 -8.8896 -8.6047 -8.6047
-8.5185 -8.5185 -8.3302 -8.3302 0.6896 0.6896 1.1006 1.1006
1.1682 1.1682 4.4229 4.4229 4.4916 4.4916 4.5067 4.5067
6.5281 6.5281 8.0149 8.0149 8.0286 8.0286 9.3813 9.3814
k = 0.1698 0.1698 0.1698 ( 5731 PWs) bands (ev):
-25.4121 -25.4121 -25.3439 -25.3439 -25.3439 -25.3439 -10.7975 -10.7975
-10.2543 -10.2543 -9.2222 -9.2222 -9.1685 -9.1685 -9.1326 -9.1326
-8.9852 -8.9852 -8.9586 -8.9586 -8.8871 -8.8871 -8.6000 -8.6000
-8.5175 -8.5175 -8.3076 -8.3076 0.6799 0.6799 1.0887 1.0887
1.1603 1.1603 4.3993 4.3993 4.4667 4.4667 4.4818 4.4818
6.6103 6.6103 8.0756 8.0756 8.0907 8.0907 9.4147 9.4148
k = 0.1792 0.1792 0.1792 ( 5713 PWs) bands (ev):
-25.4104 -25.4104 -25.3446 -25.3446 -25.3446 -25.3446 -10.7985 -10.7985
-10.2817 -10.2817 -9.2216 -9.2216 -9.1686 -9.1686 -9.1251 -9.1251
-8.9885 -8.9885 -8.9551 -8.9551 -8.8844 -8.8844 -8.5952 -8.5952
-8.5164 -8.5164 -8.2843 -8.2843 0.6704 0.6704 1.0773 1.0773
1.1525 1.1525 4.3757 4.3757 4.4410 4.4410 4.4562 4.4562
6.6941 6.6941 8.1384 8.1384 8.1549 8.1549 9.4476 9.4477
k = 0.1887 0.1887 0.1887 ( 5713 PWs) bands (ev):
-25.4087 -25.4087 -25.3454 -25.3454 -25.3454 -25.3454 -10.7993 -10.7993
-10.3090 -10.3090 -9.2214 -9.2214 -9.1694 -9.1694 -9.1174 -9.1174
-8.9921 -8.9921 -8.9512 -8.9512 -8.8814 -8.8814 -8.5904 -8.5904
-8.5151 -8.5151 -8.2605 -8.2605 0.6614 0.6614 1.0665 1.0665
1.1448 1.1448 4.3519 4.3519 4.4145 4.4145 4.4297 4.4297
6.7792 6.7792 8.2028 8.2028 8.2206 8.2206 9.4794 9.4798
k = 0.1981 0.1981 0.1981 ( 5689 PWs) bands (ev):
-25.4070 -25.4070 -25.3462 -25.3462 -25.3462 -25.3462 -10.7999 -10.7999
-10.3363 -10.3363 -9.2216 -9.2216 -9.1708 -9.1708 -9.1097 -9.1097
-8.9958 -8.9958 -8.9469 -8.9469 -8.8783 -8.8783 -8.5856 -8.5856
-8.5138 -8.5138 -8.2364 -8.2364 0.6528 0.6528 1.0564 1.0564
1.1374 1.1374 4.3281 4.3281 4.3874 4.3874 4.4026 4.4026
6.8653 6.8653 8.2685 8.2685 8.2878 8.2878 9.5094 9.5106
k = 0.2075 0.2075 0.2075 ( 5701 PWs) bands (ev):
-25.4052 -25.4052 -25.3470 -25.3470 -25.3470 -25.3470 -10.8004 -10.8004
-10.3634 -10.3634 -9.2223 -9.2223 -9.1728 -9.1728 -9.1021 -9.1021
-8.9998 -8.9998 -8.9421 -8.9421 -8.8749 -8.8749 -8.5807 -8.5807
-8.5123 -8.5123 -8.2121 -8.2121 0.6448 0.6448 1.0470 1.0470
1.1302 1.1302 4.3041 4.3041 4.3598 4.3598 4.3750 4.3750
6.9522 6.9522 8.3352 8.3352 8.3559 8.3559 9.5371 9.5372
k = 0.2170 0.2170 0.2170 ( 5704 PWs) bands (ev):
-25.4034 -25.4034 -25.3479 -25.3479 -25.3479 -25.3479 -10.8007 -10.8007
-10.3901 -10.3901 -9.2234 -9.2234 -9.1753 -9.1753 -9.0947 -9.0947
-9.0038 -9.0038 -8.9368 -8.9368 -8.8715 -8.8715 -8.5757 -8.5757
-8.5106 -8.5106 -8.1877 -8.1877 0.6374 0.6374 1.0384 1.0384
1.1233 1.1233 4.2800 4.2800 4.3317 4.3317 4.3468 4.3468
7.0396 7.0396 8.4025 8.4025 8.4246 8.4246 9.5619 9.5620
k = 0.2264 0.2264 0.2264 ( 5704 PWs) bands (ev):
-25.4015 -25.4015 -25.3487 -25.3487 -25.3487 -25.3487 -10.8008 -10.8008
-10.4166 -10.4166 -9.2249 -9.2249 -9.1783 -9.1783 -9.0875 -9.0875
-9.0079 -9.0079 -8.9312 -8.9312 -8.8679 -8.8679 -8.5706 -8.5706
-8.5088 -8.5088 -8.1633 -8.1633 0.6307 0.6307 1.0306 1.0306
1.1168 1.1168 4.2558 4.2558 4.3032 4.3032 4.3183 4.3183
7.1274 7.1274 8.4698 8.4698 8.4932 8.4932 9.5834 9.5836
k = 0.2358 0.2358 0.2358 ( 5698 PWs) bands (ev):
-25.3997 -25.3997 -25.3496 -25.3496 -25.3496 -25.3496 -10.8006 -10.8006
-10.4427 -10.4427 -9.2269 -9.2269 -9.1818 -9.1818 -9.0808 -9.0808
-9.0117 -9.0117 -8.9253 -8.9253 -8.8642 -8.8642 -8.5653 -8.5653
-8.5069 -8.5069 -8.1389 -8.1389 0.6248 0.6248 1.0237 1.0237
1.1106 1.1106 4.2315 4.2315 4.2745 4.2745 4.2894 4.2894
7.2152 7.2152 8.5366 8.5366 8.5612 8.5612 9.6012 9.6013
k = 0.2453 0.2453 0.2453 ( 5692 PWs) bands (ev):
-25.3978 -25.3978 -25.3504 -25.3504 -25.3504 -25.3504 -10.8003 -10.8003
-10.4683 -10.4683 -9.2292 -9.2292 -9.1857 -9.1857 -9.0748 -9.0748
-9.0152 -9.0152 -8.9190 -8.9190 -8.8604 -8.8604 -8.5600 -8.5600
-8.5048 -8.5048 -8.1148 -8.1148 0.6196 0.6196 1.0176 1.0176
1.1048 1.1048 4.2071 4.2071 4.2456 4.2456 4.2604 4.2604
7.3028 7.3028 8.6019 8.6019 8.6277 8.6277 9.6154 9.6155
k = 0.2547 0.2547 0.2547 ( 5692 PWs) bands (ev):
-25.3959 -25.3959 -25.3513 -25.3513 -25.3513 -25.3513 -10.7997 -10.7997
-10.4934 -10.4934 -9.2319 -9.2319 -9.1900 -9.1900 -9.0699 -9.0699
-9.0179 -9.0179 -8.9125 -8.9125 -8.8566 -8.8566 -8.5545 -8.5545
-8.5026 -8.5026 -8.0909 -8.0909 0.6152 0.6152 1.0125 1.0125
1.0995 1.0995 4.1826 4.1826 4.2166 4.2166 4.2312 4.2312
7.3899 7.3899 8.6649 8.6649 8.6917 8.6917 9.6264 9.6265
k = 0.2642 0.2642 0.2642 ( 5704 PWs) bands (ev):
-25.3941 -25.3941 -25.3521 -25.3521 -25.3521 -25.3521 -10.7989 -10.7989
-10.5179 -10.5179 -9.2348 -9.2348 -9.1947 -9.1947 -9.0664 -9.0664
-9.0194 -9.0194 -8.9058 -8.9058 -8.8528 -8.8528 -8.5489 -8.5489
-8.5002 -8.5002 -8.0673 -8.0673 0.6117 0.6117 1.0083 1.0083
1.0945 1.0945 4.1579 4.1579 4.1877 4.1877 4.2020 4.2020
7.4763 7.4763 8.7243 8.7243 8.7517 8.7517 9.6345 9.6346
k = 0.2736 0.2736 0.2736 ( 5704 PWs) bands (ev):
-25.3922 -25.3922 -25.3530 -25.3530 -25.3530 -25.3530 -10.7978 -10.7978
-10.5419 -10.5419 -9.2381 -9.2381 -9.1996 -9.1996 -9.0650 -9.0650
-9.0192 -9.0192 -8.8989 -8.8989 -8.8490 -8.8490 -8.5432 -8.5432
-8.4977 -8.4977 -8.0442 -8.0442 0.6089 0.6089 1.0050 1.0050
1.0901 1.0901 4.1331 4.1331 4.1591 4.1591 4.1728 4.1728
7.5616 7.5616 8.7785 8.7785 8.8062 8.8062 9.6352 9.6352
k = 0.2830 0.2830 0.2830 ( 5728 PWs) bands (ev):
-25.3904 -25.3904 -25.3538 -25.3538 -25.3538 -25.3538 -10.7966 -10.7966
-10.5652 -10.5652 -9.2416 -9.2416 -9.2049 -9.2049 -9.0657 -9.0657
-9.0173 -9.0173 -8.8920 -8.8920 -8.8452 -8.8452 -8.5374 -8.5374
-8.4951 -8.4951 -8.0215 -8.0215 0.6070 0.6070 1.0027 1.0027
1.0860 1.0860 4.1081 4.1081 4.1307 4.1307 4.1439 4.1439
7.6456 7.6456 8.8258 8.8258 8.8533 8.8533 9.5830 9.5830
k = 0.2925 0.2925 0.2925 ( 5740 PWs) bands (ev):
-25.3885 -25.3885 -25.3546 -25.3546 -25.3546 -25.3546 -10.7951 -10.7951
-10.5877 -10.5877 -9.2452 -9.2452 -9.2104 -9.2104 -9.0682 -9.0682
-9.0139 -9.0139 -8.8851 -8.8851 -8.8415 -8.8415 -8.5315 -8.5315
-8.4923 -8.4923 -7.9993 -7.9993 0.6058 0.6058 1.0012 1.0012
1.0825 1.0825 4.0830 4.0830 4.1028 4.1028 4.1152 4.1152
7.7279 7.7279 8.8643 8.8643 8.8909 8.8909 9.5137 9.5137
k = 0.3019 0.3019 0.3019 ( 5740 PWs) bands (ev):
-25.3867 -25.3867 -25.3554 -25.3554 -25.3554 -25.3554 -10.7935 -10.7935
-10.6096 -10.6096 -9.2490 -9.2490 -9.2160 -9.2160 -9.0719 -9.0719
-9.0095 -9.0095 -8.8782 -8.8782 -8.8379 -8.8379 -8.5256 -8.5256
-8.4894 -8.4894 -7.9778 -7.9778 0.6053 0.6053 1.0006 1.0006
1.0794 1.0794 4.0577 4.0577 4.0756 4.0756 4.0869 4.0869
7.8082 7.8082 8.8924 8.8924 8.9176 8.9176 9.4447 9.4447
k = 0.3113 0.3113 0.3113 ( 5734 PWs) bands (ev):
-25.3850 -25.3850 -25.3562 -25.3562 -25.3562 -25.3562 -10.7917 -10.7917
-10.6307 -10.6307 -9.2529 -9.2529 -9.2219 -9.2219 -9.0764 -9.0764
-9.0046 -9.0046 -8.8713 -8.8713 -8.8343 -8.8343 -8.5196 -8.5196
-8.4864 -8.4864 -7.9569 -7.9569 0.6055 0.6055 1.0009 1.0009
1.0767 1.0767 4.0323 4.0323 4.0492 4.0492 4.0591 4.0591
7.8863 7.8863 8.9093 8.9093 8.9325 8.9325 9.3774 9.3774
k = 0.3208 0.3208 0.3208 ( 5734 PWs) bands (ev):
-25.3833 -25.3833 -25.3570 -25.3570 -25.3570 -25.3570 -10.7897 -10.7897
-10.6509 -10.6509 -9.2568 -9.2568 -9.2278 -9.2278 -9.0814 -9.0814
-8.9995 -8.9995 -8.8646 -8.8646 -8.8308 -8.8308 -8.5136 -8.5136
-8.4834 -8.4834 -7.9367 -7.9367 0.6063 0.6063 1.0021 1.0021
1.0744 1.0744 4.0069 4.0069 4.0235 4.0235 4.0318 4.0318
7.9617 7.9617 8.9150 8.9150 8.9359 8.9359 9.3124 9.3124
k = 0.3302 0.3302 0.3302 ( 5728 PWs) bands (ev):
-25.3816 -25.3816 -25.3578 -25.3578 -25.3578 -25.3578 -10.7875 -10.7875
-10.6703 -10.6703 -9.2608 -9.2608 -9.2338 -9.2338 -9.0868 -9.0868
-8.9943 -8.9943 -8.8580 -8.8580 -8.8274 -8.8274 -8.5076 -8.5076
-8.4802 -8.4802 -7.9173 -7.9173 0.6077 0.6077 1.0040 1.0040
1.0726 1.0726 3.9816 3.9816 3.9986 3.9986 4.0052 4.0052
8.0341 8.0341 8.9105 8.9105 8.9292 8.9292 9.2499 9.2499
k = 0.3396 0.3396 0.3396 ( 5734 PWs) bands (ev):
-25.3800 -25.3800 -25.3585 -25.3585 -25.3585 -25.3585 -10.7853 -10.7853
-10.6889 -10.6889 -9.2648 -9.2648 -9.2398 -9.2398 -9.0923 -9.0923
-8.9892 -8.9892 -8.8517 -8.8517 -8.8241 -8.8241 -8.5017 -8.5017
-8.4771 -8.4771 -7.8986 -7.8986 0.6096 0.6096 1.0066 1.0066
1.0711 1.0711 3.9567 3.9567 3.9745 3.9745 3.9794 3.9794
8.1032 8.1032 8.8976 8.8976 8.9142 8.9142 9.1904 9.1904
k = 0.3491 0.3491 0.3491 ( 5722 PWs) bands (ev):
-25.3784 -25.3784 -25.3592 -25.3592 -25.3592 -25.3592 -10.7829 -10.7829
-10.7065 -10.7065 -9.2687 -9.2687 -9.2458 -9.2458 -9.0978 -9.0978
-8.9842 -8.9842 -8.8455 -8.8455 -8.8210 -8.8210 -8.4958 -8.4958
-8.4738 -8.4738 -7.8808 -7.8808 0.6119 0.6119 1.0099 1.0099
1.0699 1.0699 3.9324 3.9324 3.9511 3.9511 3.9544 3.9544
8.1687 8.1687 8.8782 8.8782 8.8929 8.8929 9.1339 9.1339
k = 0.3585 0.3585 0.3585 ( 5722 PWs) bands (ev):
-25.3769 -25.3769 -25.3599 -25.3599 -25.3599 -25.3599 -10.7805 -10.7805
-10.7232 -10.7232 -9.2726 -9.2726 -9.2517 -9.2517 -9.1033 -9.1033
-8.9795 -8.9795 -8.8397 -8.8397 -8.8180 -8.8180 -8.4901 -8.4901
-8.4706 -8.4706 -7.8639 -7.8639 0.6145 0.6145 1.0137 1.0137
1.0691 1.0691 3.9088 3.9088 3.9285 3.9285 3.9303 3.9303
8.2302 8.2302 8.8542 8.8542 8.8672 8.8672 9.0808 9.0808
k = 0.3679 0.3679 0.3679 ( 5728 PWs) bands (ev):
-25.3755 -25.3755 -25.3605 -25.3605 -25.3605 -25.3605 -10.7780 -10.7780
-10.7390 -10.7390 -9.2763 -9.2763 -9.2576 -9.2576 -9.1088 -9.1088
-8.9749 -8.9749 -8.8342 -8.8342 -8.8152 -8.8152 -8.4845 -8.4845
-8.4675 -8.4675 -7.8479 -7.8479 0.6173 0.6173 1.0181 1.0181
1.0686 1.0686 3.8861 3.8861 3.9067 3.9067 3.9073 3.9073
8.2875 8.2875 8.8271 8.8271 8.8386 8.8386 9.0313 9.0313
k = 0.3774 0.3774 0.3774 ( 5728 PWs) bands (ev):
-25.3741 -25.3741 -25.3611 -25.3611 -25.3611 -25.3611 -10.7756 -10.7756
-10.7537 -10.7537 -9.2799 -9.2799 -9.2633 -9.2633 -9.1140 -9.1140
-8.9707 -8.9707 -8.8289 -8.8289 -8.8126 -8.8126 -8.4791 -8.4791
-8.4644 -8.4644 -7.8329 -7.8329 0.6204 0.6204 1.0229 1.0229
1.0684 1.0684 3.8644 3.8644 3.8855 3.8855 3.8858 3.8858
8.3402 8.3402 8.7983 8.7983 8.8086 8.8086 8.9855 8.9855
k = 0.3868 0.3868 0.3868 ( 5731 PWs) bands (ev):
-25.3728 -25.3728 -25.3617 -25.3617 -25.3617 -25.3617 -10.7731 -10.7731
-10.7675 -10.7675 -9.2834 -9.2834 -9.2687 -9.2687 -9.1191 -9.1191
-8.9667 -8.9667 -8.8241 -8.8241 -8.8101 -8.8101 -8.4739 -8.4739
-8.4613 -8.4613 -7.8188 -7.8188 0.6235 0.6235 1.0280 1.0280
1.0683 1.0683 3.8439 3.8439 3.8648 3.8648 3.8658 3.8658
8.3880 8.3880 8.7689 8.7689 8.7781 8.7781 8.9437 8.9437
k = 0.3962 0.3962 0.3962 ( 5719 PWs) bands (ev):
-25.3717 -25.3717 -25.3622 -25.3622 -25.3622 -25.3622 -10.7803 -10.7803
-10.7707 -10.7707 -9.2866 -9.2866 -9.2740 -9.2740 -9.1239 -9.1239
-8.9629 -8.9629 -8.8195 -8.8195 -8.8077 -8.8077 -8.4690 -8.4690
-8.4584 -8.4584 -7.8058 -7.8058 0.6267 0.6267 1.0333 1.0333
1.0685 1.0685 3.8245 3.8245 3.8455 3.8455 3.8469 3.8469
8.4306 8.4306 8.7397 8.7397 8.7480 8.7480 8.9064 8.9064
k = 0.4057 0.4057 0.4057 ( 5718 PWs) bands (ev):
-25.3706 -25.3706 -25.3627 -25.3627 -25.3627 -25.3627 -10.7919 -10.7919
-10.7683 -10.7683 -9.2897 -9.2897 -9.2790 -9.2790 -9.1284 -9.1284
-8.9595 -8.9595 -8.8154 -8.8154 -8.8056 -8.8056 -8.4644 -8.4644
-8.4556 -8.4556 -7.7938 -7.7938 0.6299 0.6299 1.0386 1.0386
1.0688 1.0688 3.8065 3.8065 3.8276 3.8276 3.8291 3.8291
8.4676 8.4676 8.7114 8.7114 8.7189 8.7189 8.8737 8.8737
k = 0.4151 0.4151 0.4151 ( 5724 PWs) bands (ev):
-25.3695 -25.3695 -25.3632 -25.3632 -25.3632 -25.3632 -10.8026 -10.8026
-10.7661 -10.7661 -9.2925 -9.2925 -9.2836 -9.2836 -9.1326 -9.1326
-8.9564 -8.9564 -8.8116 -8.8116 -8.8037 -8.8037 -8.4602 -8.4602
-8.4530 -8.4530 -7.7828 -7.7828 0.6329 0.6329 1.0440 1.0440
1.0691 1.0691 3.7899 3.7899 3.8111 3.8111 3.8127 3.8127
8.4987 8.4987 8.6846 8.6846 8.6914 8.6914 8.8462 8.8462
k = 0.4245 0.4245 0.4245 ( 5721 PWs) bands (ev):
-25.3686 -25.3686 -25.3636 -25.3636 -25.3636 -25.3636 -10.8121 -10.8121
-10.7640 -10.7640 -9.2951 -9.2951 -9.2879 -9.2879 -9.1365 -9.1365
-8.9536 -8.9536 -8.8082 -8.8082 -8.8020 -8.8020 -8.4562 -8.4562
-8.4506 -8.4506 -7.7730 -7.7730 0.6358 0.6358 1.0491 1.0491
1.0696 1.0696 3.7748 3.7748 3.7961 3.7961 3.7976 3.7976
8.5234 8.5234 8.6597 8.6597 8.6659 8.6659 8.8242 8.8242
k = 0.4340 0.4340 0.4340 ( 5727 PWs) bands (ev):
-25.3678 -25.3678 -25.3639 -25.3639 -25.3639 -25.3639 -10.8206 -10.8206
-10.7621 -10.7621 -9.2974 -9.2974 -9.2918 -9.2918 -9.1400 -9.1400
-8.9512 -8.9512 -8.8052 -8.8052 -8.8004 -8.8004 -8.4527 -8.4527
-8.4484 -8.4484 -7.7643 -7.7643 0.6385 0.6385 1.0540 1.0540
1.0701 1.0701 3.7613 3.7613 3.7827 3.7827 3.7841 3.7841
8.5416 8.5416 8.6371 8.6371 8.6428 8.6428 8.8080 8.8080
k = 0.4434 0.4434 0.4434 ( 5727 PWs) bands (ev):
-25.3671 -25.3671 -25.3642 -25.3642 -25.3642 -25.3642 -10.8279 -10.8279
-10.7604 -10.7604 -9.2995 -9.2995 -9.2953 -9.2953 -9.1430 -9.1430
-8.9490 -8.9490 -8.8026 -8.8026 -8.7991 -8.7991 -8.4496 -8.4496
-8.4464 -8.4464 -7.7567 -7.7567 0.6409 0.6409 1.0585 1.0585
1.0706 1.0706 3.7494 3.7494 3.7710 3.7710 3.7721 3.7721
8.5536 8.5536 8.6170 8.6170 8.6222 8.6222 8.7975 8.7975
k = 0.4528 0.4528 0.4528 ( 5736 PWs) bands (ev):
-25.3665 -25.3665 -25.3645 -25.3645 -25.3645 -25.3645 -10.8342 -10.8342
-10.7589 -10.7589 -9.3012 -9.3012 -9.2983 -9.2983 -9.1456 -9.1456
-8.9472 -8.9472 -8.8003 -8.8003 -8.7979 -8.7979 -8.4469 -8.4469
-8.4447 -8.4447 -7.7502 -7.7502 0.6430 0.6430 1.0626 1.0626
1.0711 1.0711 3.7392 3.7392 3.7610 3.7610 3.7618 3.7618
8.5601 8.5601 8.5996 8.5996 8.6044 8.6044 8.7919 8.7919
k = 0.4623 0.4623 0.4623 ( 5736 PWs) bands (ev):
-25.3660 -25.3660 -25.3647 -25.3647 -25.3647 -25.3647 -10.8393 -10.8393
-10.7576 -10.7576 -9.3027 -9.3027 -9.3007 -9.3007 -9.1478 -9.1478
-8.9457 -8.9457 -8.7985 -8.7985 -8.7970 -8.7970 -8.4447 -8.4447
-8.4433 -8.4433 -7.7449 -7.7449 0.6448 0.6448 1.0660 1.0660
1.0715 1.0715 3.7307 3.7307 3.7528 3.7528 3.7533 3.7533
8.5626 8.5626 8.5853 8.5853 8.5897 8.5897 8.7899 8.7899
k = 0.4717 0.4717 0.4717 ( 5742 PWs) bands (ev):
-25.3656 -25.3656 -25.3649 -25.3649 -25.3649 -25.3649 -10.8433 -10.8433
-10.7566 -10.7566 -9.3038 -9.3038 -9.3027 -9.3027 -9.1495 -9.1495
-8.9446 -8.9446 -8.7971 -8.7971 -8.7963 -8.7963 -8.4430 -8.4430
-8.4422 -8.4422 -7.7408 -7.7408 0.6462 0.6462 1.0687 1.0687
1.0719 1.0719 3.7241 3.7241 3.7463 3.7463 3.7467 3.7467
8.5625 8.5625 8.5743 8.5743 8.5781 8.5781 8.7900 8.7900
k = 0.4811 0.4811 0.4811 ( 5742 PWs) bands (ev):
-25.3654 -25.3654 -25.3650 -25.3650 -25.3650 -25.3650 -10.8462 -10.8462
-10.7559 -10.7559 -9.3046 -9.3046 -9.3041 -9.3041 -9.1507 -9.1507
-8.9437 -8.9437 -8.7961 -8.7961 -8.7958 -8.7958 -8.4417 -8.4417
-8.4413 -8.4413 -7.7378 -7.7378 0.6472 0.6472 1.0708 1.0708
1.0722 1.0722 3.7193 3.7193 3.7417 3.7417 3.7419 3.7419
8.5607 8.5607 8.5671 8.5671 8.5698 8.5698 8.7911 8.7911
k = 0.4906 0.4906 0.4906 ( 5769 PWs) bands (ev):
-25.3652 -25.3652 -25.3651 -25.3651 -25.3651 -25.3651 -10.8479 -10.8479
-10.7555 -10.7555 -9.3051 -9.3051 -9.3050 -9.3050 -9.1515 -9.1515
-8.9433 -8.9433 -8.7955 -8.7955 -8.7955 -8.7955 -8.4410 -8.4410
-8.4409 -8.4409 -7.7361 -7.7361 0.6478 0.6478 1.0720 1.0720
1.0723 1.0723 3.7164 3.7164 3.7389 3.7389 3.7390 3.7390
8.5581 8.5581 8.5639 8.5639 8.5647 8.5647 8.7920 8.7920
k = 0.5000 0.5000 0.5000 ( 5832 PWs) bands (ev):
-25.3652 -25.3652 -25.3652 -25.3652 -25.3652 -25.3652 -10.8485 -10.8485
-10.7553 -10.7553 -9.3053 -9.3053 -9.3053 -9.3053 -9.1518 -9.1518
-8.9432 -8.9432 -8.7954 -8.7954 -8.7954 -8.7954 -8.4408 -8.4408
-8.4408 -8.4408 -7.7355 -7.7355 0.6480 0.6480 1.0724 1.0724
1.0724 1.0724 3.7155 3.7155 3.7380 3.7380 3.7380 3.7380
8.5569 8.5569 8.5630 8.5630 8.5630 8.5630 8.7924 8.7924
k = 0.5000 0.5000 0.5000 ( 5832 PWs) bands (ev):
-25.3652 -25.3652 -25.3652 -25.3652 -25.3652 -25.3652 -10.8485 -10.8485
-10.7553 -10.7553 -9.3053 -9.3053 -9.3053 -9.3053 -9.1518 -9.1518
-8.9432 -8.9432 -8.7954 -8.7954 -8.7954 -8.7954 -8.4408 -8.4408
-8.4408 -8.4408 -7.7355 -7.7355 0.6480 0.6480 1.0724 1.0724
1.0724 1.0724 3.7155 3.7155 3.7380 3.7380 3.7380 3.7380
8.5569 8.5569 8.5630 8.5630 8.5630 8.5630 8.7924 8.7924
k = 0.4884 0.5000 0.4884 ( 5768 PWs) bands (ev):
-25.3652 -25.3652 -25.3651 -25.3651 -25.3651 -25.3651 -10.8479 -10.8479
-10.7555 -10.7555 -9.3051 -9.3051 -9.3050 -9.3050 -9.1515 -9.1515
-8.9433 -8.9433 -8.7956 -8.7956 -8.7954 -8.7954 -8.4410 -8.4410
-8.4408 -8.4408 -7.7361 -7.7361 0.6478 0.6478 1.0720 1.0720
1.0724 1.0724 3.7164 3.7164 3.7387 3.7387 3.7392 3.7392
8.5581 8.5581 8.5639 8.5639 8.5647 8.5647 8.7920 8.7920
k = 0.4767 0.5000 0.4767 ( 5742 PWs) bands (ev):
-25.3653 -25.3653 -25.3651 -25.3651 -25.3650 -25.3650 -10.8461 -10.8461
-10.7559 -10.7559 -9.3046 -9.3046 -9.3041 -9.3041 -9.1507 -9.1507
-8.9437 -8.9437 -8.7962 -8.7962 -8.7957 -8.7957 -8.4420 -8.4420
-8.4411 -8.4411 -7.7379 -7.7379 0.6472 0.6472 1.0707 1.0707
1.0722 1.0722 3.7193 3.7193 3.7410 3.7410 3.7428 3.7428
8.5609 8.5609 8.5672 8.5672 8.5697 8.5697 8.7910 8.7910
k = 0.4651 0.5000 0.4651 ( 5734 PWs) bands (ev):
-25.3655 -25.3655 -25.3651 -25.3651 -25.3648 -25.3648 -10.8432 -10.8432
-10.7567 -10.7567 -9.3037 -9.3037 -9.3027 -9.3027 -9.1494 -9.1494
-8.9446 -8.9446 -8.7972 -8.7972 -8.7962 -8.7962 -8.4436 -8.4436
-8.4416 -8.4416 -7.7408 -7.7408 0.6462 0.6462 1.0686 1.0686
1.0720 1.0720 3.7238 3.7238 3.7449 3.7449 3.7488 3.7488
8.5638 8.5638 8.5741 8.5741 8.5778 8.5778 8.7898 8.7898
k = 0.4535 0.5000 0.4535 ( 5734 PWs) bands (ev):
-25.3658 -25.3658 -25.3651 -25.3651 -25.3645 -25.3645 -10.8392 -10.8392
-10.7577 -10.7577 -9.3025 -9.3025 -9.3008 -9.3008 -9.1477 -9.1477
-8.9458 -8.9458 -8.7987 -8.7987 -8.7968 -8.7968 -8.4458 -8.4458
-8.4423 -8.4423 -7.7450 -7.7450 0.6447 0.6447 1.0657 1.0657
1.0717 1.0717 3.7295 3.7295 3.7508 3.7508 3.7571 3.7571
8.5667 8.5667 8.5833 8.5833 8.5891 8.5891 8.7891 8.7891
k = 0.4419 0.5000 0.4419 ( 5734 PWs) bands (ev):
-25.3662 -25.3662 -25.3652 -25.3652 -25.3642 -25.3642 -10.8340 -10.8340
-10.7589 -10.7589 -9.3010 -9.3010 -9.2983 -9.2983 -9.1455 -9.1455
-8.9473 -8.9473 -8.8006 -8.8006 -8.7977 -8.7977 -8.4486 -8.4486
-8.4432 -8.4432 -7.7503 -7.7503 0.6429 0.6429 1.0620 1.0620
1.0714 1.0714 3.7359 3.7359 3.7592 3.7592 3.7677 3.7677
8.5702 8.5702 8.5925 8.5925 8.6040 8.6040 8.7906 8.7906
k = 0.4302 0.5000 0.4302 ( 5740 PWs) bands (ev):
-25.3667 -25.3667 -25.3652 -25.3652 -25.3638 -25.3638 -10.8278 -10.8278
-10.7605 -10.7605 -9.2991 -9.2991 -9.2954 -9.2954 -9.1429 -9.1429
-8.9491 -8.9491 -8.8030 -8.8030 -8.7988 -8.7988 -8.4519 -8.4519
-8.4444 -8.4444 -7.7567 -7.7567 0.6407 0.6407 1.0577 1.0577
1.0711 1.0711 3.7427 3.7427 3.7702 3.7702 3.7806 3.7806
8.5741 8.5741 8.5993 8.5993 8.6223 8.6223 8.7962 8.7962
k = 0.4186 0.5000 0.4186 ( 5728 PWs) bands (ev):
-25.3672 -25.3672 -25.3652 -25.3652 -25.3633 -25.3633 -10.8204 -10.8204
-10.7622 -10.7622 -9.2970 -9.2970 -9.2919 -9.2919 -9.1398 -9.1398
-8.9513 -8.9513 -8.8057 -8.8057 -8.8000 -8.8000 -8.4558 -8.4558
-8.4457 -8.4457 -7.7642 -7.7642 0.6382 0.6382 1.0528 1.0528
1.0709 1.0709 3.7498 3.7498 3.7839 3.7839 3.7957 3.7957
8.5784 8.5784 8.6013 8.6013 8.6441 8.6441 8.8081 8.8081
k = 0.4070 0.5000 0.4070 ( 5732 PWs) bands (ev):
-25.3678 -25.3678 -25.3652 -25.3652 -25.3627 -25.3627 -10.8119 -10.8119
-10.7642 -10.7642 -9.2946 -9.2946 -9.2880 -9.2880 -9.1363 -9.1363
-8.9539 -8.9539 -8.8088 -8.8088 -8.8014 -8.8014 -8.4602 -8.4602
-8.4473 -8.4473 -7.7728 -7.7728 0.6354 0.6354 1.0473 1.0473
1.0707 1.0707 3.7571 3.7571 3.8000 3.8000 3.8129 3.8129
8.5831 8.5831 8.5966 8.5966 8.6693 8.6693 8.8278 8.8278
k = 0.3953 0.5000 0.3953 ( 5732 PWs) bands (ev):
-25.3685 -25.3685 -25.3652 -25.3652 -25.3621 -25.3621 -10.8024 -10.8024
-10.7663 -10.7663 -9.2919 -9.2919 -9.2837 -9.2837 -9.1324 -9.1324
-8.9567 -8.9567 -8.8123 -8.8123 -8.8030 -8.8030 -8.4651 -8.4651
-8.4491 -8.4491 -7.7823 -7.7823 0.6324 0.6324 1.0415 1.0415
1.0707 1.0707 3.7648 3.7648 3.8183 3.8183 3.8321 3.8321
8.5837 8.5837 8.5893 8.5893 8.6977 8.6977 8.8554 8.8554
k = 0.3837 0.5000 0.3837 ( 5728 PWs) bands (ev):
-25.3693 -25.3693 -25.3652 -25.3652 -25.3614 -25.3614 -10.7919 -10.7919
-10.7686 -10.7686 -9.2889 -9.2889 -9.2790 -9.2790 -9.1281 -9.1281
-8.9599 -8.9599 -8.8162 -8.8162 -8.8048 -8.8048 -8.4703 -8.4703
-8.4511 -8.4511 -7.7927 -7.7927 0.6291 0.6291 1.0352 1.0352
1.0708 1.0708 3.7728 3.7728 3.8387 3.8387 3.8532 3.8532
8.5660 8.5660 8.5939 8.5939 8.7293 8.7293 8.8900 8.8900
k = 0.3721 0.5000 0.3721 ( 5720 PWs) bands (ev):
-25.3701 -25.3701 -25.3653 -25.3653 -25.3607 -25.3607 -10.7803 -10.7803
-10.7710 -10.7710 -9.2858 -9.2858 -9.2740 -9.2740 -9.1234 -9.1234
-8.9635 -8.9635 -8.8204 -8.8204 -8.8068 -8.8068 -8.4760 -8.4760
-8.4533 -8.4533 -7.8040 -7.8040 0.6257 0.6257 1.0288 1.0288
1.0711 1.0711 3.7811 3.7811 3.8608 3.8608 3.8761 3.8761
8.5420 8.5420 8.5991 8.5991 8.7641 8.7641 8.9305 8.9305
k = 0.3605 0.5000 0.3605 ( 5730 PWs) bands (ev):
-25.3710 -25.3710 -25.3653 -25.3653 -25.3599 -25.3599 -10.7735 -10.7735
-10.7679 -10.7679 -9.2824 -9.2824 -9.2686 -9.2686 -9.1185 -9.1185
-8.9674 -8.9674 -8.8250 -8.8250 -8.8090 -8.8090 -8.4819 -8.4819
-8.4558 -8.4558 -7.8161 -7.8161 0.6221 0.6221 1.0222 1.0222
1.0717 1.0717 3.7897 3.7897 3.8847 3.8847 3.9006 3.9006
8.5130 8.5130 8.6043 8.6043 8.8020 8.8020 8.9757 8.9757
k = 0.3488 0.5000 0.3488 ( 5728 PWs) bands (ev):
-25.3719 -25.3719 -25.3653 -25.3653 -25.3591 -25.3591 -10.7760 -10.7760
-10.7545 -10.7545 -9.2788 -9.2788 -9.2630 -9.2630 -9.1133 -9.1133
-8.9715 -8.9715 -8.8298 -8.8298 -8.8114 -8.8114 -8.4882 -8.4882
-8.4586 -8.4586 -7.8290 -7.8290 0.6185 0.6185 1.0156 1.0156
1.0725 1.0725 3.7985 3.7985 3.9101 3.9101 3.9267 3.9267
8.4796 8.4796 8.6092 8.6092 8.8430 8.8430 9.0247 9.0247
k = 0.3372 0.5000 0.3372 ( 5732 PWs) bands (ev):
-25.3729 -25.3729 -25.3653 -25.3653 -25.3582 -25.3582 -10.7786 -10.7786
-10.7402 -10.7402 -9.2751 -9.2751 -9.2571 -9.2571 -9.1078 -9.1078
-8.9761 -8.9761 -8.8350 -8.8350 -8.8139 -8.8139 -8.4946 -8.4946
-8.4615 -8.4615 -7.8425 -7.8425 0.6148 0.6148 1.0090 1.0090
1.0737 1.0737 3.8074 3.8074 3.9368 3.9368 3.9541 3.9541
8.4423 8.4423 8.6136 8.6136 8.8870 8.8870 9.0769 9.0769
k = 0.3256 0.5000 0.3256 ( 5724 PWs) bands (ev):
-25.3740 -25.3740 -25.3653 -25.3653 -25.3573 -25.3573 -10.7812 -10.7812
-10.7251 -10.7251 -9.2712 -9.2712 -9.2511 -9.2511 -9.1021 -9.1021
-8.9809 -8.9809 -8.8404 -8.8404 -8.8166 -8.8166 -8.5013 -8.5013
-8.4647 -8.4647 -7.8565 -7.8565 0.6112 0.6112 1.0026 1.0026
1.0751 1.0751 3.8164 3.8164 3.9648 3.9648 3.9827 3.9827
8.4013 8.4013 8.6174 8.6174 8.9339 8.9339 9.1315 9.1315
k = 0.3140 0.5000 0.3140 ( 5716 PWs) bands (ev):
-25.3750 -25.3750 -25.3654 -25.3654 -25.3563 -25.3563 -10.7838 -10.7838
-10.7092 -10.7092 -9.2672 -9.2672 -9.2448 -9.2448 -9.0963 -9.0963
-8.9860 -8.9860 -8.8460 -8.8460 -8.8194 -8.8194 -8.5081 -8.5081
-8.4682 -8.4682 -7.8710 -7.8710 0.6075 0.6075 0.9965 0.9965
1.0769 1.0769 3.8254 3.8254 3.9939 3.9939 4.0123 4.0123
8.3571 8.3571 8.6205 8.6205 8.9836 8.9836 9.1880 9.1880
k = 0.3023 0.5000 0.3023 ( 5724 PWs) bands (ev):
-25.3761 -25.3761 -25.3654 -25.3654 -25.3553 -25.3553 -10.7863 -10.7863
-10.6925 -10.6925 -9.2631 -9.2631 -9.2385 -9.2385 -9.0903 -9.0903
-8.9914 -8.9914 -8.8518 -8.8518 -8.8225 -8.8225 -8.5150 -8.5150
-8.4719 -8.4719 -7.8859 -7.8859 0.6040 0.6040 0.9908 0.9908
1.0791 1.0791 3.8343 3.8343 4.0239 4.0239 4.0428 4.0428
8.3099 8.3099 8.6226 8.6226 9.0361 9.0361 9.2458 9.2458
k = 0.2907 0.5000 0.2907 ( 5712 PWs) bands (ev):
-25.3773 -25.3773 -25.3654 -25.3654 -25.3543 -25.3543 -10.7888 -10.7888
-10.6753 -10.6753 -9.2590 -9.2590 -9.2321 -9.2321 -9.0843 -9.0843
-8.9970 -8.9970 -8.8578 -8.8578 -8.8257 -8.8257 -8.5220 -8.5220
-8.4759 -8.4759 -7.9010 -7.9010 0.6005 0.6005 0.9855 0.9855
1.0817 1.0817 3.8430 3.8430 4.0547 4.0547 4.0740 4.0740
8.2601 8.2601 8.6236 8.6236 9.0913 9.0913 9.3045 9.3045
k = 0.2791 0.5000 0.2791 ( 5716 PWs) bands (ev):
-25.3784 -25.3784 -25.3655 -25.3655 -25.3533 -25.3533 -10.7912 -10.7912
-10.6574 -10.6574 -9.2548 -9.2548 -9.2257 -9.2257 -9.0783 -9.0783
-9.0028 -9.0028 -8.8639 -8.8639 -8.8291 -8.8291 -8.5290 -8.5290
-8.4801 -8.4801 -7.9164 -7.9164 0.5971 0.5971 0.9807 0.9807
1.0846 1.0846 3.8515 3.8515 4.0860 4.0860 4.1057 4.1057
8.2079 8.2079 8.6232 8.6232 9.1491 9.1491 9.3634 9.3634
k = 0.2674 0.5000 0.2674 ( 5720 PWs) bands (ev):
-25.3796 -25.3796 -25.3655 -25.3655 -25.3522 -25.3522 -10.7935 -10.7935
-10.6389 -10.6389 -9.2507 -9.2507 -9.2193 -9.2193 -9.0724 -9.0724
-9.0087 -9.0087 -8.8701 -8.8701 -8.8326 -8.8326 -8.5361 -8.5361
-8.4845 -8.4845 -7.9318 -7.9318 0.5939 0.5939 0.9766 0.9766
1.0879 1.0879 3.8597 3.8597 4.1178 4.1178 4.1378 4.1378
8.1537 8.1537 8.6215 8.6215 9.2094 9.2094 9.4198 9.4198
k = 0.2558 0.5000 0.2558 ( 5712 PWs) bands (ev):
-25.3808 -25.3808 -25.3655 -25.3655 -25.3512 -25.3512 -10.7957 -10.7957
-10.6201 -10.6201 -9.2465 -9.2465 -9.2129 -9.2129 -9.0666 -9.0666
-9.0147 -9.0147 -8.8763 -8.8763 -8.8363 -8.8363 -8.5431 -8.5431
-8.4891 -8.4891 -7.9471 -7.9471 0.5907 0.5907 0.9731 0.9731
1.0916 1.0916 3.8676 3.8676 4.1499 4.1499 4.1700 4.1700
8.0978 8.0978 8.6182 8.6182 9.2721 9.2721 9.3697 9.3697
k = 0.2442 0.5000 0.2442 ( 5712 PWs) bands (ev):
-25.3820 -25.3820 -25.3655 -25.3655 -25.3501 -25.3501 -10.7977 -10.7977
-10.6008 -10.6008 -9.2425 -9.2425 -9.2066 -9.2066 -9.0612 -9.0612
-9.0205 -9.0205 -8.8826 -8.8826 -8.8402 -8.8402 -8.5502 -8.5502
-8.4939 -8.4939 -7.9624 -7.9624 0.5876 0.5876 0.9704 0.9704
1.0956 1.0956 3.8751 3.8751 4.1821 4.1821 4.2021 4.2021
8.0407 8.0407 8.6134 8.6134 9.2911 9.2911 9.3374 9.3374
k = 0.2326 0.5000 0.2326 ( 5710 PWs) bands (ev):
-25.3831 -25.3831 -25.3656 -25.3656 -25.3491 -25.3491 -10.7996 -10.7996
-10.5812 -10.5812 -9.2385 -9.2385 -9.2004 -9.2004 -9.0565 -9.0565
-9.0257 -9.0257 -8.8888 -8.8888 -8.8442 -8.8442 -8.5572 -8.5572
-8.4988 -8.4988 -7.9774 -7.9774 0.5846 0.5846 0.9684 0.9684
1.1000 1.1000 3.8821 3.8821 4.2143 4.2143 4.2341 4.2341
7.9826 7.9826 8.6071 8.6071 9.2147 9.2147 9.4045 9.4045
k = 0.2209 0.5000 0.2209 ( 5704 PWs) bands (ev):
-25.3843 -25.3843 -25.3656 -25.3656 -25.3480 -25.3480 -10.8014 -10.8014
-10.5615 -10.5615 -9.2347 -9.2347 -9.1944 -9.1944 -9.0535 -9.0535
-9.0294 -9.0294 -8.8950 -8.8950 -8.8483 -8.8483 -8.5642 -8.5642
-8.5037 -8.5037 -7.9920 -7.9920 0.5816 0.5816 0.9672 0.9672
1.1048 1.1048 3.8887 3.8887 4.2462 4.2462 4.2658 4.2658
7.9240 7.9240 8.5991 8.5991 9.1405 9.1405 9.4737 9.4737
k = 0.2093 0.5000 0.2093 ( 5704 PWs) bands (ev):
-25.3855 -25.3855 -25.3656 -25.3656 -25.3470 -25.3470 -10.8030 -10.8030
-10.5416 -10.5416 -9.2311 -9.2311 -9.1885 -9.1885 -9.0535 -9.0535
-9.0302 -9.0302 -8.9012 -8.9012 -8.8525 -8.8525 -8.5712 -8.5712
-8.5088 -8.5088 -8.0063 -8.0063 0.5787 0.5787 0.9668 0.9668
1.1099 1.1099 3.8947 3.8947 4.2777 4.2777 4.2969 4.2969
7.8653 7.8653 8.5897 8.5897 9.0688 9.0688 9.5449 9.5449
k = 0.1977 0.5000 0.1977 ( 5696 PWs) bands (ev):
-25.3866 -25.3866 -25.3657 -25.3657 -25.3460 -25.3460 -10.8045 -10.8045
-10.5217 -10.5217 -9.2277 -9.2277 -9.1828 -9.1828 -9.0567 -9.0567
-9.0280 -9.0280 -8.9072 -8.9072 -8.8569 -8.8569 -8.5781 -8.5781
-8.5138 -8.5138 -8.0200 -8.0200 0.5758 0.5758 0.9671 0.9671
1.1154 1.1154 3.9002 3.9002 4.3086 4.3086 4.3273 4.3273
7.8069 7.8069 8.5790 8.5790 9.0000 9.0000 9.6178 9.6178
k = 0.1860 0.5000 0.1860 ( 5694 PWs) bands (ev):
-25.3877 -25.3877 -25.3657 -25.3657 -25.3450 -25.3450 -10.8058 -10.8058
-10.5019 -10.5019 -9.2245 -9.2245 -9.1774 -9.1774 -9.0616 -9.0616
-9.0241 -9.0241 -8.9131 -8.9131 -8.8614 -8.8614 -8.5850 -8.5850
-8.5188 -8.5188 -8.0332 -8.0332 0.5729 0.5729 0.9682 0.9682
1.1211 1.1211 3.9052 3.9052 4.3388 4.3388 4.3569 4.3569
7.7491 7.7491 8.5671 8.5671 8.9342 8.9342 9.6923 9.6923
k = 0.1744 0.5000 0.1744 ( 5694 PWs) bands (ev):
-25.3888 -25.3888 -25.3657 -25.3657 -25.3440 -25.3440 -10.8070 -10.8070
-10.4823 -10.4823 -9.2217 -9.2217 -9.1722 -9.1722 -9.0671 -9.0671
-9.0196 -9.0196 -8.9188 -8.9188 -8.8661 -8.8661 -8.5918 -8.5918
-8.5236 -8.5236 -8.0458 -8.0458 0.5700 0.5700 0.9699 0.9699
1.1271 1.1271 3.9096 3.9096 4.3680 4.3680 4.3855 4.3855
7.6924 7.6924 8.5542 8.5542 8.8716 8.8716 9.7682 9.7682
k = 0.1628 0.5000 0.1628 ( 5694 PWs) bands (ev):
-25.3898 -25.3898 -25.3657 -25.3657 -25.3431 -25.3431 -10.8080 -10.8080
-10.4631 -10.4631 -9.2192 -9.2192 -9.1673 -9.1673 -9.0726 -9.0726
-9.0149 -9.0149 -8.9243 -8.9243 -8.8708 -8.8708 -8.5985 -8.5985
-8.5283 -8.5283 -8.0576 -8.0576 0.5672 0.5672 0.9722 0.9722
1.1333 1.1333 3.9134 3.9134 4.3963 4.3963 4.4130 4.4130
7.6372 7.6372 8.5405 8.5405 8.8123 8.8123 9.8453 9.8453
k = 0.1512 0.5000 0.1512 ( 5694 PWs) bands (ev):
-25.3908 -25.3908 -25.3658 -25.3658 -25.3422 -25.3422 -10.8089 -10.8089
-10.4443 -10.4443 -9.2171 -9.2171 -9.1626 -9.1626 -9.0781 -9.0781
-9.0101 -9.0101 -8.9296 -8.9296 -8.8756 -8.8756 -8.6050 -8.6050
-8.5327 -8.5327 -8.0687 -8.0687 0.5644 0.5644 0.9749 0.9749
1.1397 1.1397 3.9167 3.9167 4.4233 4.4233 4.4392 4.4392
7.5838 7.5838 8.5263 8.5263 8.7564 8.7564 9.9230 9.9230
k = 0.1395 0.5000 0.1395 ( 5690 PWs) bands (ev):
-25.3917 -25.3917 -25.3658 -25.3658 -25.3413 -25.3413 -10.8097 -10.8097
-10.4261 -10.4261 -9.2154 -9.2154 -9.1582 -9.1582 -9.0833 -9.0833
-9.0055 -9.0055 -8.9347 -8.9347 -8.8805 -8.8805 -8.6114 -8.6114
-8.5369 -8.5369 -8.0790 -8.0790 0.5617 0.5617 0.9780 0.9780
1.1462 1.1462 3.9195 3.9195 4.4489 4.4489 4.4640 4.4640
7.5327 7.5327 8.5119 8.5119 8.7043 8.7043 9.9402 9.9402
k = 0.1279 0.5000 0.1279 ( 5690 PWs) bands (ev):
-25.3926 -25.3926 -25.3658 -25.3658 -25.3405 -25.3405 -10.8104 -10.8104
-10.4086 -10.4086 -9.2141 -9.2141 -9.1541 -9.1541 -9.0882 -9.0882
-9.0010 -9.0010 -8.9395 -8.9395 -8.8854 -8.8854 -8.6175 -8.6175
-8.5408 -8.5408 -8.0885 -8.0885 0.5590 0.5590 0.9813 0.9813
1.1527 1.1527 3.9217 3.9217 4.4730 4.4730 4.4873 4.4873
7.4841 7.4841 8.4975 8.4975 8.6558 8.6558 9.9414 9.9414
k = 0.1163 0.5000 0.1163 ( 5706 PWs) bands (ev):
-25.3934 -25.3934 -25.3658 -25.3658 -25.3398 -25.3398 -10.8109 -10.8109
-10.3920 -10.3920 -9.2133 -9.2133 -9.1503 -9.1503 -9.0926 -9.0926
-8.9968 -8.9968 -8.9439 -8.9439 -8.8905 -8.8905 -8.6234 -8.6234
-8.5444 -8.5444 -8.0972 -8.0972 0.5564 0.5564 0.9848 0.9848
1.1593 1.1593 3.9235 3.9235 4.4954 4.4954 4.5090 4.5090
7.4385 7.4385 8.4834 8.4834 8.6112 8.6112 9.9429 9.9429
k = 0.1047 0.5000 0.1047 ( 5706 PWs) bands (ev):
-25.3942 -25.3942 -25.3659 -25.3659 -25.3391 -25.3391 -10.8114 -10.8114
-10.3764 -10.3764 -9.2128 -9.2128 -9.1467 -9.1467 -9.0966 -9.0966
-8.9928 -8.9928 -8.9479 -8.9479 -8.8955 -8.8955 -8.6289 -8.6289
-8.5476 -8.5476 -8.1051 -8.1051 0.5540 0.5540 0.9883 0.9883
1.1656 1.1656 3.9249 3.9249 4.5161 4.5161 4.5289 4.5289
7.3962 7.3962 8.4698 8.4698 8.5706 8.5706 9.9445 9.9445
k = 0.0930 0.5000 0.0930 ( 5710 PWs) bands (ev):
-25.3949 -25.3949 -25.3659 -25.3659 -25.3385 -25.3385 -10.8118 -10.8118
-10.3620 -10.3620 -9.2127 -9.2127 -9.1435 -9.1435 -9.1001 -9.1001
-8.9891 -8.9891 -8.9512 -8.9512 -8.9006 -8.9006 -8.6340 -8.6340
-8.5505 -8.5505 -8.1121 -8.1121 0.5517 0.5517 0.9917 0.9917
1.1718 1.1718 3.9260 3.9260 4.5349 4.5349 4.5471 4.5471
7.3574 7.3574 8.4569 8.4569 8.5340 8.5340 9.9460 9.9460
k = 0.0814 0.5000 0.0814 ( 5702 PWs) bands (ev):
-25.3955 -25.3955 -25.3659 -25.3659 -25.3380 -25.3380 -10.8121 -10.8121
-10.3488 -10.3488 -9.2129 -9.2129 -9.1405 -9.1405 -9.1032 -9.1032
-8.9858 -8.9858 -8.9538 -8.9538 -8.9058 -8.9058 -8.6385 -8.6385
-8.5530 -8.5530 -8.1182 -8.1182 0.5496 0.5496 0.9949 0.9949
1.1776 1.1776 3.9267 3.9267 4.5516 4.5516 4.5633 4.5633
7.3225 7.3225 8.4450 8.4450 8.5015 8.5015 9.9471 9.9471
k = 0.0698 0.5000 0.0698 ( 5710 PWs) bands (ev):
-25.3960 -25.3960 -25.3659 -25.3659 -25.3375 -25.3375 -10.8123 -10.8123
-10.3371 -10.3371 -9.2133 -9.2133 -9.1379 -9.1379 -9.1059 -9.1059
-8.9833 -8.9833 -8.9554 -8.9554 -8.9109 -8.9109 -8.6426 -8.6426
-8.5551 -8.5551 -8.1235 -8.1235 0.5477 0.5477 0.9979 0.9979
1.1829 1.1829 3.9272 3.9272 4.5663 4.5663 4.5776 4.5776
7.2918 7.2918 8.4343 8.4343 8.4733 8.4733 9.9478 9.9478
k = 0.0581 0.5000 0.0581 ( 5698 PWs) bands (ev):
-25.3964 -25.3964 -25.3659 -25.3659 -25.3371 -25.3371 -10.8125 -10.8125
-10.3270 -10.3270 -9.2138 -9.2138 -9.1355 -9.1355 -9.1081 -9.1081
-8.9817 -8.9817 -8.9556 -8.9556 -8.9159 -8.9159 -8.6461 -8.6461
-8.5569 -8.5569 -8.1280 -8.1280 0.5461 0.5461 1.0005 1.0005
1.1877 1.1877 3.9275 3.9275 4.5788 4.5788 4.5899 4.5899
7.2653 7.2653 8.4248 8.4248 8.4495 8.4495 9.9480 9.9480
k = 0.0465 0.5000 0.0465 ( 5694 PWs) bands (ev):
-25.3968 -25.3968 -25.3659 -25.3659 -25.3367 -25.3367 -10.8126 -10.8126
-10.3185 -10.3185 -9.2144 -9.2144 -9.1334 -9.1334 -9.1100 -9.1100
-8.9809 -8.9809 -8.9544 -8.9544 -8.9209 -8.9209 -8.6490 -8.6490
-8.5584 -8.5584 -8.1317 -8.1317 0.5447 0.5447 1.0027 1.0027
1.1917 1.1917 3.9276 3.9276 4.5891 4.5891 4.6000 4.6000
7.2434 7.2434 8.4165 8.4165 8.4302 8.4302 9.9478 9.9478
k = 0.0349 0.5000 0.0349 ( 5700 PWs) bands (ev):
-25.3971 -25.3971 -25.3659 -25.3659 -25.3365 -25.3365 -10.8127 -10.8127
-10.3118 -10.3118 -9.2149 -9.2149 -9.1316 -9.1316 -9.1116 -9.1116
-8.9809 -8.9809 -8.9521 -8.9521 -8.9258 -8.9258 -8.6514 -8.6514
-8.5595 -8.5595 -8.1345 -8.1345 0.5436 0.5436 1.0045 1.0045
1.1950 1.1950 3.9277 3.9277 4.5972 4.5972 4.6079 4.6079
7.2262 7.2262 8.4087 8.4087 8.4164 8.4164 9.9475 9.9475
k = 0.0233 0.5000 0.0233 ( 5714 PWs) bands (ev):
-25.3974 -25.3974 -25.3660 -25.3660 -25.3363 -25.3363 -10.8128 -10.8128
-10.3069 -10.3069 -9.2154 -9.2154 -9.1303 -9.1303 -9.1128 -9.1128
-8.9811 -8.9811 -8.9489 -8.9489 -8.9306 -8.9306 -8.6530 -8.6530
-8.5604 -8.5604 -8.1365 -8.1365 0.5428 0.5428 1.0058 1.0058
1.1974 1.1974 3.9277 3.9277 4.6030 4.6030 4.6136 4.6136
7.2139 7.2139 8.4006 8.4006 8.4089 8.4089 9.9471 9.9471
k = 0.0116 0.5000 0.0116 ( 5706 PWs) bands (ev):
-25.3975 -25.3975 -25.3660 -25.3660 -25.3361 -25.3361 -10.8128 -10.8128
-10.3039 -10.3039 -9.2156 -9.2156 -9.1294 -9.1294 -9.1136 -9.1136
-8.9814 -8.9814 -8.9455 -8.9455 -8.9349 -8.9349 -8.6540 -8.6540
-8.5609 -8.5609 -8.1378 -8.1378 0.5423 0.5423 1.0066 1.0066
1.1988 1.1988 3.9277 3.9277 4.6064 4.6064 4.6171 4.6171
7.2064 7.2064 8.3947 8.3947 8.4055 8.4055 9.9469 9.9469
k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev):
-25.3975 -25.3975 -25.3660 -25.3660 -25.3361 -25.3361 -10.8128 -10.8128
-10.3030 -10.3030 -9.2157 -9.2157 -9.1291 -9.1291 -9.1138 -9.1138
-8.9815 -8.9815 -8.9432 -8.9432 -8.9374 -8.9374 -8.6544 -8.6544
-8.5610 -8.5610 -8.1382 -8.1382 0.5421 0.5421 1.0068 1.0068
1.1993 1.1993 3.9277 3.9277 4.6076 4.6076 4.6182 4.6182
7.2039 7.2039 8.3926 8.3926 8.4044 8.4044 9.9468 9.9468
k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev):
-25.3666 -25.3666 -25.3655 -25.3655 -25.3655 -25.3655 -10.8086 -10.8086
-10.5977 -10.5977 -9.2208 -9.2208 -9.1665 -9.1665 -9.0701 -9.0701
-8.9887 -8.9887 -8.9605 -8.9605 -8.8121 -8.8121 -8.6654 -8.6654
-8.4423 -8.4423 -7.9155 -7.9155 0.5543 0.5543 0.9102 0.9102
1.0910 1.0910 3.9031 3.9031 3.9136 3.9136 4.5275 4.5275
8.4161 8.4161 8.6402 8.6402 9.4302 9.4302 9.5284 9.5284
k = 0.5000 0.5000 0.0161 ( 5712 PWs) bands (ev):
-25.3666 -25.3666 -25.3655 -25.3655 -25.3655 -25.3655 -10.8085 -10.8085
-10.5985 -10.5985 -9.2210 -9.2210 -9.1674 -9.1674 -9.0693 -9.0693
-8.9913 -8.9913 -8.9579 -8.9579 -8.8121 -8.8121 -8.6646 -8.6646
-8.4423 -8.4423 -7.9152 -7.9152 0.5546 0.5546 0.9106 0.9106
1.0909 1.0909 3.9027 3.9027 3.9132 3.9132 4.5252 4.5252
8.4175 8.4175 8.6404 8.6404 9.4263 9.4263 9.5231 9.5231
k = 0.5000 0.5000 0.0323 ( 5704 PWs) bands (ev):
-25.3666 -25.3666 -25.3655 -25.3655 -25.3655 -25.3655 -10.8081 -10.8081
-10.6007 -10.6007 -9.2217 -9.2217 -9.1698 -9.1698 -9.0667 -9.0667
-8.9973 -8.9973 -8.9518 -8.9518 -8.8121 -8.8121 -8.6623 -8.6623
-8.4423 -8.4423 -7.9142 -7.9142 0.5554 0.5554 0.9118 0.9118
1.0906 1.0906 3.9013 3.9013 3.9119 3.9119 4.5183 4.5183
8.4216 8.4216 8.6409 8.6409 9.4148 9.4148 9.5076 9.5076
k = 0.5000 0.5000 0.0484 ( 5720 PWs) bands (ev):
-25.3666 -25.3666 -25.3655 -25.3655 -25.3655 -25.3655 -10.8075 -10.8075
-10.6044 -10.6044 -9.2228 -9.2228 -9.1737 -9.1737 -9.0628 -9.0628
-9.0047 -9.0047 -8.9443 -8.9443 -8.8121 -8.8121 -8.6585 -8.6585
-8.4423 -8.4423 -7.9124 -7.9124 0.5567 0.5567 0.9137 0.9137
1.0901 1.0901 3.8991 3.8991 3.9097 3.9097 4.5069 4.5069
8.4285 8.4285 8.6416 8.6416 9.3963 9.3963 9.4833 9.4833
k = 0.5000 0.5000 0.0645 ( 5724 PWs) bands (ev):
-25.3665 -25.3665 -25.3655 -25.3655 -25.3655 -25.3655 -10.8066 -10.8066
-10.6096 -10.6096 -9.2243 -9.2243 -9.1785 -9.1785 -9.0578 -9.0578
-9.0126 -9.0126 -8.9362 -8.9362 -8.8121 -8.8121 -8.6532 -8.6532
-8.4423 -8.4423 -7.9100 -7.9100 0.5585 0.5585 0.9164 0.9164
1.0895 1.0895 3.8960 3.8960 3.9067 3.9067 4.4912 4.4912
8.4380 8.4380 8.6425 8.6425 9.3715 9.3715 9.4515 9.4515
k = 0.5000 0.5000 0.0806 ( 5724 PWs) bands (ev):
-25.3665 -25.3665 -25.3655 -25.3655 -25.3655 -25.3655 -10.8054 -10.8054
-10.6160 -10.6160 -9.2263 -9.2263 -9.1842 -9.1842 -9.0520 -9.0520
-9.0207 -9.0207 -8.9279 -8.9279 -8.8120 -8.8120 -8.6466 -8.6466
-8.4422 -8.4422 -7.9069 -7.9069 0.5608 0.5608 0.9199 0.9199
1.0886 1.0886 3.8921 3.8921 3.9028 3.9028 4.4714 4.4714
8.4500 8.4500 8.6434 8.6434 9.3414 9.3414 9.4141 9.4141
k = 0.5000 0.5000 0.0968 ( 5724 PWs) bands (ev):
-25.3665 -25.3665 -25.3655 -25.3655 -25.3655 -25.3655 -10.8041 -10.8041
-10.6237 -10.6237 -9.2287 -9.2287 -9.1904 -9.1904 -9.0456 -9.0456
-9.0289 -9.0289 -8.9196 -8.9196 -8.8119 -8.8119 -8.6388 -8.6388
-8.4422 -8.4422 -7.9032 -7.9032 0.5636 0.5636 0.9240 0.9240
1.0877 1.0877 3.8874 3.8874 3.8982 3.8982 4.4478 4.4478
8.4642 8.4642 8.6443 8.6443 9.3069 9.3069 9.3724 9.3724
k = 0.5000 0.5000 0.1129 ( 5720 PWs) bands (ev):
-25.3664 -25.3664 -25.3655 -25.3655 -25.3655 -25.3655 -10.8025 -10.8025
-10.6325 -10.6325 -9.2314 -9.2314 -9.1970 -9.1970 -9.0389 -9.0389
-9.0370 -9.0370 -8.9113 -8.9113 -8.8118 -8.8118 -8.6300 -8.6300
-8.4421 -8.4421 -7.8987 -7.8987 0.5667 0.5667 0.9288 0.9288
1.0866 1.0866 3.8819 3.8819 3.8929 3.8929 4.4208 4.4208
8.4805 8.4805 8.6449 8.6449 9.2690 9.2690 9.3276 9.3276
k = 0.5000 0.5000 0.1290 ( 5716 PWs) bands (ev):
-25.3664 -25.3664 -25.3655 -25.3655 -25.3655 -25.3655 -10.8007 -10.8007
-10.6422 -10.6422 -9.2344 -9.2344 -9.2038 -9.2038 -9.0449 -9.0449
-9.0320 -9.0320 -8.9030 -8.9030 -8.8115 -8.8115 -8.6202 -8.6202
-8.4421 -8.4421 -7.8936 -7.8936 0.5703 0.5703 0.9342 0.9342
1.0854 1.0854 3.8758 3.8758 3.8868 3.8868 4.3906 4.3906
8.4985 8.4985 8.6451 8.6451 9.2286 9.2286 9.2807 9.2807
k = 0.5000 0.5000 0.1452 ( 5716 PWs) bands (ev):
-25.3663 -25.3663 -25.3654 -25.3654 -25.3654 -25.3654 -10.7987 -10.7987
-10.6529 -10.6529 -9.2378 -9.2378 -9.2107 -9.2107 -9.0528 -9.0528
-9.0251 -9.0251 -8.8950 -8.8950 -8.8112 -8.8112 -8.6097 -8.6097
-8.4420 -8.4420 -7.8879 -7.8879 0.5742 0.5742 0.9402 0.9402
1.0841 1.0841 3.8690 3.8690 3.8802 3.8802 4.3577 4.3577
8.5180 8.5180 8.6449 8.6449 9.1864 9.1864 9.2326 9.2326
k = 0.5000 0.5000 0.1613 ( 5708 PWs) bands (ev):
-25.3662 -25.3662 -25.3654 -25.3654 -25.3654 -25.3654 -10.7965 -10.7965
-10.6642 -10.6642 -9.2414 -9.2414 -9.2176 -9.2176 -9.0605 -9.0605
-9.0182 -9.0182 -8.8870 -8.8870 -8.8107 -8.8107 -8.5986 -8.5986
-8.4419 -8.4419 -7.8815 -7.8815 0.5784 0.5784 0.9468 0.9468
1.0828 1.0828 3.8617 3.8617 3.8730 3.8730 4.3225 4.3225
8.5387 8.5387 8.6440 8.6440 9.1431 9.1431 9.1839 9.1839
k = 0.5000 0.5000 0.1774 ( 5708 PWs) bands (ev):
-25.3662 -25.3662 -25.3654 -25.3654 -25.3654 -25.3654 -10.7942 -10.7942
-10.6760 -10.6760 -9.2452 -9.2452 -9.2246 -9.2246 -9.0680 -9.0680
-9.0115 -9.0115 -8.8793 -8.8793 -8.8102 -8.8102 -8.5872 -8.5872
-8.4419 -8.4419 -7.8745 -7.8745 0.5828 0.5828 0.9537 0.9537
1.0815 1.0815 3.8538 3.8538 3.8653 3.8653 4.2854 4.2854
8.5600 8.5600 8.6425 8.6425 9.0992 9.0992 9.1351 9.1351
k = 0.5000 0.5000 0.1935 ( 5724 PWs) bands (ev):
-25.3661 -25.3661 -25.3654 -25.3654 -25.3654 -25.3654 -10.7918 -10.7918
-10.6883 -10.6883 -9.2492 -9.2492 -9.2314 -9.2314 -9.0753 -9.0753
-9.0049 -9.0049 -8.8718 -8.8718 -8.8096 -8.8096 -8.5755 -8.5755
-8.4418 -8.4418 -7.8670 -7.8670 0.5874 0.5874 0.9611 0.9611
1.0801 1.0801 3.8455 3.8455 3.8572 3.8572 4.2468 4.2468
8.5818 8.5818 8.6403 8.6403 9.0553 9.0553 9.0867 9.0867
k = 0.5000 0.5000 0.2097 ( 5712 PWs) bands (ev):
-25.3660 -25.3660 -25.3654 -25.3654 -25.3654 -25.3654 -10.7892 -10.7892
-10.7009 -10.7009 -9.2533 -9.2533 -9.2381 -9.2381 -9.0823 -9.0823
-8.9986 -8.9986 -8.8645 -8.8645 -8.8089 -8.8089 -8.5636 -8.5636
-8.4417 -8.4417 -7.8589 -7.8589 0.5922 0.5922 0.9688 0.9688
1.0789 1.0789 3.8369 3.8369 3.8488 3.8488 4.2073 4.2073
8.6037 8.6037 8.6374 8.6374 9.0118 9.0118 9.0391 9.0391
k = 0.5000 0.5000 0.2258 ( 5712 PWs) bands (ev):
-25.3660 -25.3660 -25.3654 -25.3654 -25.3654 -25.3654 -10.7866 -10.7866
-10.7136 -10.7136 -9.2576 -9.2576 -9.2446 -9.2446 -9.0891 -9.0891
-8.9926 -8.9926 -8.8575 -8.8575 -8.8081 -8.8081 -8.5519 -8.5519
-8.4417 -8.4417 -7.8505 -7.8505 0.5970 0.5970 0.9767 0.9767
1.0777 1.0777 3.8280 3.8280 3.8401 3.8401 4.1672 4.1672
8.6252 8.6252 8.6338 8.6338 8.9691 8.9691 8.9926 8.9926
k = 0.5000 0.5000 0.2419 ( 5716 PWs) bands (ev):
-25.3659 -25.3659 -25.3653 -25.3653 -25.3653 -25.3653 -10.7839 -10.7839
-10.7263 -10.7263 -9.2619 -9.2619 -9.2509 -9.2509 -9.0957 -9.0957
-8.9868 -8.9868 -8.8508 -8.8508 -8.8072 -8.8072 -8.5403 -8.5403
-8.4416 -8.4416 -7.8416 -7.8416 0.6018 0.6018 0.9849 0.9849
1.0765 1.0765 3.8189 3.8189 3.8313 3.8313 4.1269 4.1269
8.6296 8.6296 8.6460 8.6460 8.9274 8.9274 8.9475 8.9475
k = 0.5000 0.5000 0.2581 ( 5716 PWs) bands (ev):
-25.3658 -25.3658 -25.3653 -25.3653 -25.3653 -25.3653 -10.7812 -10.7812
-10.7389 -10.7389 -9.2661 -9.2661 -9.2570 -9.2570 -9.1020 -9.1020
-8.9814 -8.9814 -8.8444 -8.8444 -8.8063 -8.8063 -8.5291 -8.5291
-8.4415 -8.4415 -7.8325 -7.8325 0.6066 0.6066 0.9931 0.9931
1.0755 1.0755 3.8098 3.8098 3.8224 3.8224 4.0869 4.0869
8.6248 8.6248 8.6658 8.6658 8.8871 8.8871 8.9040 8.9040
k = 0.5000 0.5000 0.2742 ( 5708 PWs) bands (ev):
-25.3657 -25.3657 -25.3653 -25.3653 -25.3653 -25.3653 -10.7785 -10.7785
-10.7512 -10.7512 -9.2704 -9.2704 -9.2628 -9.2628 -9.1080 -9.1080
-8.9764 -8.9764 -8.8384 -8.8384 -8.8053 -8.8053 -8.5183 -8.5183
-8.4414 -8.4414 -7.8232 -7.8232 0.6114 0.6114 1.0013 1.0013
1.0747 1.0747 3.8006 3.8006 3.8136 3.8136 4.0476 4.0476
8.6195 8.6195 8.6844 8.6844 8.8484 8.8484 8.8624 8.8624
k = 0.5000 0.5000 0.2903 ( 5708 PWs) bands (ev):
-25.3657 -25.3657 -25.3653 -25.3653 -25.3653 -25.3653 -10.7759 -10.7759
-10.7631 -10.7631 -9.2745 -9.2745 -9.2683 -9.2683 -9.1136 -9.1136
-8.9716 -8.9716 -8.8326 -8.8326 -8.8043 -8.8043 -8.5080 -8.5080
-8.4413 -8.4413 -7.8137 -7.8137 0.6159 0.6159 1.0094 1.0094
1.0739 1.0739 3.7916 3.7916 3.8048 3.8048 4.0093 4.0093
8.6139 8.6139 8.7015 8.7015 8.8116 8.8116 8.8229 8.8229
k = 0.5000 0.5000 0.3065 ( 5708 PWs) bands (ev):
-25.3656 -25.3656 -25.3653 -25.3653 -25.3653 -25.3653 -10.7746 -10.7746
-10.7733 -10.7733 -9.2785 -9.2785 -9.2735 -9.2735 -9.1190 -9.1190
-8.9673 -8.9673 -8.8273 -8.8273 -8.8033 -8.8033 -8.4983 -8.4983
-8.4412 -8.4412 -7.8043 -7.8043 0.6203 0.6203 1.0174 1.0174
1.0733 1.0733 3.7827 3.7827 3.7963 3.7963 3.9723 3.9723
8.6081 8.6081 8.7170 8.7170 8.7768 8.7768 8.7857 8.7857
k = 0.5000 0.5000 0.3226 ( 5716 PWs) bands (ev):
-25.3655 -25.3655 -25.3652 -25.3652 -25.3652 -25.3652 -10.7855 -10.7855
-10.7707 -10.7707 -9.2824 -9.2824 -9.2784 -9.2784 -9.1240 -9.1240
-8.9633 -8.9633 -8.8223 -8.8223 -8.8023 -8.8023 -8.4892 -8.4892
-8.4412 -8.4412 -7.7951 -7.7951 0.6245 0.6245 1.0251 1.0251
1.0728 1.0728 3.7741 3.7741 3.7880 3.7880 3.9371 3.9371
8.6021 8.6021 8.7301 8.7301 8.7451 8.7451 8.7509 8.7509
k = 0.5000 0.5000 0.3387 ( 5724 PWs) bands (ev):
-25.3655 -25.3655 -25.3652 -25.3652 -25.3652 -25.3652 -10.7958 -10.7958
-10.7683 -10.7683 -9.2860 -9.2860 -9.2829 -9.2829 -9.1286 -9.1286
-8.9597 -8.9597 -8.8177 -8.8177 -8.8013 -8.8013 -8.4809 -8.4809
-8.4411 -8.4411 -7.7861 -7.7861 0.6284 0.6284 1.0325 1.0325
1.0724 1.0724 3.7658 3.7658 3.7802 3.7802 3.9039 3.9039
8.5961 8.5961 8.7131 8.7131 8.7186 8.7186 8.7440 8.7440
k = 0.5000 0.5000 0.3548 ( 5724 PWs) bands (ev):
-25.3654 -25.3654 -25.3652 -25.3652 -25.3652 -25.3652 -10.8053 -10.8053
-10.7661 -10.7661 -9.2895 -9.2895 -9.2870 -9.2870 -9.1329 -9.1329
-8.9565 -8.9565 -8.8135 -8.8135 -8.8003 -8.8003 -8.4733 -8.4733
-8.4410 -8.4410 -7.7775 -7.7775 0.6320 0.6320 1.0394 1.0394
1.0722 1.0722 3.7580 3.7580 3.7728 3.7728 3.8731 3.8731
8.5903 8.5903 8.6856 8.6856 8.6891 8.6891 8.7543 8.7543
k = 0.5000 0.5000 0.3710 ( 5732 PWs) bands (ev):
-25.3654 -25.3654 -25.3652 -25.3652 -25.3652 -25.3652 -10.8140 -10.8140
-10.7639 -10.7639 -9.2926 -9.2926 -9.2908 -9.2908 -9.1367 -9.1367
-8.9536 -8.9536 -8.8098 -8.8098 -8.7994 -8.7994 -8.4665 -8.4665
-8.4410 -8.4410 -7.7694 -7.7694 0.6353 0.6353 1.0459 1.0459
1.0721 1.0721 3.7507 3.7507 3.7659 3.7659 3.8449 3.8449
8.5848 8.5848 8.6605 8.6605 8.6624 8.6624 8.7633 8.7633
k = 0.5000 0.5000 0.3871 ( 5740 PWs) bands (ev):
-25.3653 -25.3653 -25.3652 -25.3652 -25.3652 -25.3652 -10.8219 -10.8219
-10.7620 -10.7620 -9.2955 -9.2955 -9.2941 -9.2941 -9.1402 -9.1402
-8.9511 -8.9511 -8.8064 -8.8064 -8.7985 -8.7985 -8.4604 -8.4604
-8.4409 -8.4409 -7.7620 -7.7620 0.6382 0.6382 1.0518 1.0518
1.0720 1.0720 3.7440 3.7440 3.7597 3.7597 3.8195 3.8195
8.5796 8.5796 8.6380 8.6380 8.6386 8.6386 8.7709 8.7709
k = 0.5000 0.5000 0.4032 ( 5740 PWs) bands (ev):
-25.3653 -25.3653 -25.3652 -25.3652 -25.3652 -25.3652 -10.8288 -10.8288
-10.7603 -10.7603 -9.2980 -9.2980 -9.2971 -9.2970 -9.1432 -9.1432
-8.9490 -8.9490 -8.8035 -8.8035 -8.7977 -8.7977 -8.4552 -8.4552
-8.4409 -8.4409 -7.7553 -7.7553 0.6408 0.6408 1.0571 1.0571
1.0720 1.0720 3.7378 3.7378 3.7541 3.7541 3.7973 3.7973
8.5748 8.5748 8.6178 8.6178 8.6184 8.6184 8.7771 8.7771
k = 0.5000 0.5000 0.4194 ( 5732 PWs) bands (ev):
-25.3652 -25.3652 -25.3652 -25.3652 -25.3652 -25.3652 -10.8347 -10.8347
-10.7588 -10.7588 -9.3002 -9.3002 -9.2995 -9.2995 -9.1457 -9.1457
-8.9471 -8.9471 -8.8010 -8.8010 -8.7970 -8.7970 -8.4507 -8.4507
-8.4408 -8.4408 -7.7494 -7.7494 0.6430 0.6430 1.0616 1.0616
1.0721 1.0721 3.7322 3.7322 3.7493 3.7493 3.7784 3.7784
8.5706 8.5706 8.6001 8.6001 8.6016 8.6016 8.7821 8.7821
k = 0.5000 0.5000 0.4355 ( 5732 PWs) bands (ev):
-25.3652 -25.3652 -25.3651 -25.3651 -25.3651 -25.3651 -10.8396 -10.8396
-10.7576 -10.7576 -9.3020 -9.3020 -9.3016 -9.3016 -9.1479 -9.1479
-8.9457 -8.9457 -8.7990 -8.7990 -8.7964 -8.7964 -8.4471 -8.4471
-8.4408 -8.4408 -7.7445 -7.7445 0.6448 0.6448 1.0654 1.0654
1.0722 1.0722 3.7271 3.7271 3.7453 3.7453 3.7631 3.7631
8.5670 8.5670 8.5857 8.5857 8.5878 8.5878 8.7860 8.7860
k = 0.5000 0.5000 0.4516 ( 5740 PWs) bands (ev):
-25.3652 -25.3652 -25.3651 -25.3651 -25.3651 -25.3651 -10.8434 -10.8434
-10.7566 -10.7566 -9.3034 -9.3034 -9.3032 -9.3032 -9.1495 -9.1495
-8.9445 -8.9445 -8.7974 -8.7974 -8.7959 -8.7959 -8.4443 -8.4443
-8.4407 -8.4407 -7.7406 -7.7406 0.6462 0.6462 1.0685 1.0685
1.0723 1.0723 3.7227 3.7227 3.7421 3.7421 3.7516 3.7516
8.5638 8.5638 8.5746 8.5746 8.5770 8.5770 8.7889 8.7889
k = 0.5000 0.5000 0.4677 ( 5740 PWs) bands (ev):
-25.3651 -25.3651 -25.3651 -25.3651 -25.3651 -25.3651 -10.8462 -10.8462
-10.7559 -10.7559 -9.3044 -9.3044 -9.3043 -9.3043 -9.1507 -9.1507
-8.9437 -8.9437 -8.7962 -8.7962 -8.7956 -8.7956 -8.4423 -8.4423
-8.4407 -8.4407 -7.7378 -7.7378 0.6472 0.6472 1.0706 1.0706
1.0723 1.0723 3.7189 3.7189 3.7398 3.7398 3.7438 3.7438
8.5609 8.5609 8.5674 8.5674 8.5693 8.5693 8.7909 8.7909
k = 0.5000 0.5000 0.4839 ( 5780 PWs) bands (ev):
-25.3651 -25.3651 -25.3651 -25.3651 -25.3651 -25.3651 -10.8479 -10.8479
-10.7555 -10.7555 -9.3051 -9.3051 -9.3051 -9.3051 -9.1515 -9.1515
-8.9433 -8.9433 -8.7956 -8.7956 -8.7954 -8.7954 -8.4411 -8.4411
-8.4408 -8.4408 -7.7361 -7.7361 0.6478 0.6478 1.0720 1.0720
1.0724 1.0724 3.7164 3.7164 3.7385 3.7385 3.7394 3.7394
8.5581 8.5581 8.5639 8.5639 8.5646 8.5646 8.7920 8.7920
k = 0.5000 0.5000 0.5000 ( 5832 PWs) bands (ev):
-25.3652 -25.3652 -25.3652 -25.3652 -25.3652 -25.3652 -10.8485 -10.8485
-10.7553 -10.7553 -9.3053 -9.3053 -9.3053 -9.3053 -9.1518 -9.1518
-8.9432 -8.9432 -8.7954 -8.7954 -8.7954 -8.7954 -8.4408 -8.4408
-8.4408 -8.4408 -7.7355 -7.7355 0.6480 0.6480 1.0724 1.0724
1.0724 1.0724 3.7155 3.7155 3.7380 3.7380 3.7380 3.7380
8.5569 8.5569 8.5630 8.5630 8.5630 8.5630 8.7924 8.7924
Writing output data file K3BrO.save
init_run : 0.32s CPU 0.81s WALL ( 1 calls)
electrons : 145.96s CPU 149.24s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.17s WALL ( 1 calls)
potinit : 0.02s CPU 0.05s WALL ( 1 calls)
Called by electrons:
c_bands : 145.95s CPU 149.23s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.00s WALL ( 1 calls)
newd : 0.05s CPU 0.08s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.05s CPU 0.06s WALL ( 238 calls)
cegterg : 135.30s CPU 137.04s WALL ( 482 calls)
Called by sum_band:
Called by *egterg:
h_psi : 75.72s CPU 77.08s WALL ( 8111 calls)
s_psi : 3.98s CPU 3.95s WALL ( 8111 calls)
g_psi : 0.26s CPU 0.24s WALL ( 7391 calls)
cdiaghg : 48.56s CPU 49.02s WALL ( 7629 calls)
cegterg:over : 5.04s CPU 5.21s WALL ( 7391 calls)
cegterg:upda : 5.39s CPU 5.43s WALL ( 7391 calls)
cegterg:last : 2.21s CPU 2.19s WALL ( 958 calls)
cdiaghg:chol : 2.79s CPU 2.77s WALL ( 7629 calls)
cdiaghg:inve : 1.83s CPU 1.82s WALL ( 7629 calls)
cdiaghg:para : 2.62s CPU 2.80s WALL ( 15258 calls)
Called by h_psi:
h_psi:vloc : 66.80s CPU 68.06s WALL ( 8111 calls)
h_psi:vnl : 8.71s CPU 8.81s WALL ( 8111 calls)
add_vuspsi : 4.52s CPU 4.52s WALL ( 8111 calls)
General routines
calbec : 4.18s CPU 4.27s WALL ( 8111 calls)
fft : 0.01s CPU 0.01s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 62.46s CPU 63.72s WALL ( 600784 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.13s CPU 0.20s WALL ( 476 calls)
Parallel routines
fft_scatter : 20.99s CPU 21.90s WALL ( 600807 calls)
PWSCF : 2m39.38s CPU 3m10.41s WALL
This run was terminated on: 16: 6:40 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=