Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:58:30
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:
./RbFeF3.save/
file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized
file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized
file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 43 27 8 1295 645 106
Max 44 28 9 1300 659 111
Sum 1565 989 293 46681 23439 3887
bravais-lattice index = 14
lattice parameter (alat) = 7.8802 a.u.
unit-cell volume = 489.3332 (a.u.)^3
number of atoms/cell = 5
number of atomic types = 3
number of electrons = 38.00
number of Kohn-Sham states= 46
kinetic-energy cutoff = 50.0000 Ry
charge density cutoff = 317.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 7.880157 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 F read from file:
/users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44
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 1105 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 Fe read from file:
/users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 1f786298b0c3f78d6037ec413201e537
Pseudo is Ultrasoft + core correction, Zval = 8.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1191 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for Rb read from file:
/users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 948b8f0a9070089a35782939cf30e963
Pseudo is Ultrasoft + core correction, Zval = 9.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1219 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
F 7.00 18.99840 F( 1.00)
Fe 8.00 55.84500 Fe( 1.00)
Rb 9.00 85.46780 Rb( 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= 294 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014
k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0034014
k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0034014
k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0034014
k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0034014
k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0034014
k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0034014
k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0034014
k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0034014
k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0034014
k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0034014
k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0034014
k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0034014
k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0034014
k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0034014
k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0034014
k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0034014
k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0034014
k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0034014
k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034014
k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0034014
k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0034014
k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0034014
k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0034014
k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0034014
k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0034014
k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0034014
k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0034014
k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0034014
k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0034014
k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0034014
k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0034014
k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0034014
k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0034014
k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0034014
k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0034014
k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0034014
k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0034014
k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014
k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014
k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0034014
k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0034014
k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0034014
k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0034014
k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0034014
k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0034014
k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0034014
k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0034014
k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0034014
k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0034014
k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0034014
k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0034014
k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0034014
k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0034014
k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0034014
k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0034014
k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0034014
k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0034014
k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0034014
k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0034014
k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0034014
k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0034014
k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0034014
k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0034014
k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0034014
k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0034014
k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0034014
k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0034014
k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0034014
k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0034014
k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0034014
k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0034014
k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034014
k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0034014
k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0034014
k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0034014
k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0034014
k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034014
k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034014
k( 80) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0034014
k( 81) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0034014
k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0034014
k( 83) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0034014
k( 84) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0034014
k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0034014
k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0034014
k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0034014
k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0034014
k( 89) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0034014
k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0034014
k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0034014
k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0034014
k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0034014
k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0034014
k( 95) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0034014
k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0034014
k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034014
k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0034014
k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0034014
k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0034014
k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0034014
k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0034014
k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0034014
k( 104) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0034014
k( 105) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0034014
k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0034014
k( 107) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0034014
k( 108) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0034014
k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0034014
k( 110) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0034014
k( 111) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0034014
k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0034014
k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0034014
k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0034014
k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034014
k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0034014
k( 117) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0034014
k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0034014
k( 119) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0034014
k( 120) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0034014
k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0034014
k( 122) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0034014
k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0034014
k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0034014
k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0034014
k( 126) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0034014
k( 127) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0034014
k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0034014
k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0034014
k( 130) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0034014
k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0034014
k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0034014
k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014
k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014
k( 135) = ( 0.0075758 0.0075758 0.0075758), wk = 0.0034014
k( 136) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0034014
k( 137) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0034014
k( 138) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0034014
k( 139) = ( 0.0378788 0.0378788 0.0378788), wk = 0.0034014
k( 140) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0034014
k( 141) = ( 0.0530303 0.0530303 0.0530303), wk = 0.0034014
k( 142) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0034014
k( 143) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0034014
k( 144) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0034014
k( 145) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0034014
k( 146) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0034014
k( 147) = ( 0.0984848 0.0984848 0.0984848), wk = 0.0034014
k( 148) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0034014
k( 149) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0034014
k( 150) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0034014
k( 151) = ( 0.1287879 0.1287879 0.1287879), wk = 0.0034014
k( 152) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0034014
k( 153) = ( 0.1439394 0.1439394 0.1439394), wk = 0.0034014
k( 154) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0034014
k( 155) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0034014
k( 156) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034014
k( 157) = ( 0.1742424 0.1742424 0.1742424), wk = 0.0034014
k( 158) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0034014
k( 159) = ( 0.1893939 0.1893939 0.1893939), wk = 0.0034014
k( 160) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0034014
k( 161) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0034014
k( 162) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0034014
k( 163) = ( 0.2196970 0.2196970 0.2196970), wk = 0.0034014
k( 164) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0034014
k( 165) = ( 0.2348485 0.2348485 0.2348485), wk = 0.0034014
k( 166) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0034014
k( 167) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014
k( 168) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0034014
k( 169) = ( 0.2651515 0.2651515 0.2651515), wk = 0.0034014
k( 170) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0034014
k( 171) = ( 0.2803030 0.2803030 0.2803030), wk = 0.0034014
k( 172) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0034014
k( 173) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0034014
k( 174) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0034014
k( 175) = ( 0.3106061 0.3106061 0.3106061), wk = 0.0034014
k( 176) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0034014
k( 177) = ( 0.3257576 0.3257576 0.3257576), wk = 0.0034014
k( 178) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034014
k( 179) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0034014
k( 180) = ( 0.3484849 0.3484848 0.3484848), wk = 0.0034014
k( 181) = ( 0.3560606 0.3560606 0.3560606), wk = 0.0034014
k( 182) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0034014
k( 183) = ( 0.3712121 0.3712121 0.3712121), wk = 0.0034014
k( 184) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0034014
k( 185) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0034014
k( 186) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0034014
k( 187) = ( 0.4015151 0.4015151 0.4015151), wk = 0.0034014
k( 188) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0034014
k( 189) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0034014
k( 190) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0034014
k( 191) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0034014
k( 192) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0034014
k( 193) = ( 0.4469697 0.4469697 0.4469697), wk = 0.0034014
k( 194) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0034014
k( 195) = ( 0.4621212 0.4621212 0.4621212), wk = 0.0034014
k( 196) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0034014
k( 197) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0034014
k( 198) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0034014
k( 199) = ( 0.4924242 0.4924242 0.4924242), wk = 0.0034014
k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014
k( 201) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014
k( 202) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0034014
k( 203) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0034014
k( 204) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0034014
k( 205) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0034014
k( 206) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0034014
k( 207) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0034014
k( 208) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0034014
k( 209) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0034014
k( 210) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0034014
k( 211) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0034014
k( 212) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0034014
k( 213) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0034014
k( 214) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0034014
k( 215) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0034014
k( 216) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0034014
k( 217) = ( 0.3518519 0.5000000 0.3518518), wk = 0.0034014
k( 218) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0034014
k( 219) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0034014
k( 220) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0034014
k( 221) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0034014
k( 222) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0034014
k( 223) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0034014
k( 224) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0034014
k( 225) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0034014
k( 226) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0034014
k( 227) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0034014
k( 228) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0034014
k( 229) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0034014
k( 230) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0034014
k( 231) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0034014
k( 232) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0034014
k( 233) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0034014
k( 234) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0034014
k( 235) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0034014
k( 236) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0034014
k( 237) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0034014
k( 238) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0034014
k( 239) = ( 0.1481482 0.5000000 0.1481481), wk = 0.0034014
k( 240) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0034014
k( 241) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0034014
k( 242) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0034014
k( 243) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0034014
k( 244) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0034014
k( 245) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0034014
k( 246) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0034014
k( 247) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0034014
k( 248) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0034014
k( 249) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0034014
k( 250) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0034014
k( 251) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0034014
k( 252) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0034014
k( 253) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0034014
k( 254) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0034014
k( 255) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014
k( 256) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034014
k( 257) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034014
k( 258) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034014
k( 259) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034014
k( 260) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034014
k( 261) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034014
k( 262) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034014
k( 263) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034014
k( 264) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034014
k( 265) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034014
k( 266) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0034014
k( 267) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034014
k( 268) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034014
k( 269) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034014
k( 270) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034014
k( 271) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034014
k( 272) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034014
k( 273) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034014
k( 274) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034014
k( 275) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034014
k( 276) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034014
k( 277) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034014
k( 278) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034014
k( 279) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034014
k( 280) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034014
k( 281) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034014
k( 282) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034014
k( 283) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034014
k( 284) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0034014
k( 285) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034014
k( 286) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034014
k( 287) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034014
k( 288) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034014
k( 289) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034014
k( 290) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034014
k( 291) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034014
k( 292) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034014
k( 293) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034014
k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014
k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0034014
k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0034014
k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0034014
k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0034014
k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0034014
k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0034014
k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0034014
k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0034014
k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0034014
k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0034014
k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0034014
k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0034014
k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0034014
k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0034014
k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0034014
k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0034014
k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0034014
k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0034014
k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0034014
k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0034014
k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0034014
k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0034014
k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0034014
k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0034014
k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0034014
k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0034014
k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0034014
k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0034014
k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0034014
k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0034014
k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0034014
k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0034014
k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0034014
k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0034014
k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0034014
k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0034014
k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0034014
k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034014
k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034014
k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0034014
k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0034014
k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0034014
k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0034014
k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0034014
k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0034014
k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0034014
k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0034014
k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0034014
k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0034014
k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0034014
k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0034014
k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0034014
k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0034014
k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0034014
k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0034014
k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0034014
k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0034014
k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034014
k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0034014
k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0034014
k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0034014
k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0034014
k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0034014
k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0034014
k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0034014
k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0034014
k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0034014
k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0034014
k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0034014
k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0034014
k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0034014
k( 73) = ( 0.4342105 0.5000000 0.0000000), wk = 0.0034014
k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0034014
k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0034014
k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0034014
k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0034014
k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014
k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014
k( 80) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0034014
k( 81) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0034014
k( 82) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0034014
k( 83) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0034014
k( 84) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0034014
k( 85) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0034014
k( 86) = ( 0.4351852 0.4351852 0.0000000), wk = 0.0034014
k( 87) = ( 0.4259259 0.4259259 0.0000000), wk = 0.0034014
k( 88) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0034014
k( 89) = ( 0.4074074 0.4074074 0.0000000), wk = 0.0034014
k( 90) = ( 0.3981481 0.3981481 0.0000000), wk = 0.0034014
k( 91) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0034014
k( 92) = ( 0.3796296 0.3796296 0.0000000), wk = 0.0034014
k( 93) = ( 0.3703704 0.3703704 0.0000000), wk = 0.0034014
k( 94) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0034014
k( 95) = ( 0.3518519 0.3518519 0.0000000), wk = 0.0034014
k( 96) = ( 0.3425926 0.3425926 0.0000000), wk = 0.0034014
k( 97) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034014
k( 98) = ( 0.3240741 0.3240741 0.0000000), wk = 0.0034014
k( 99) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0034014
k( 100) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0034014
k( 101) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0034014
k( 102) = ( 0.2870370 0.2870370 0.0000000), wk = 0.0034014
k( 103) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0034014
k( 104) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0034014
k( 105) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0034014
k( 106) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0034014
k( 107) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0034014
k( 108) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0034014
k( 109) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0034014
k( 110) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0034014
k( 111) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0034014
k( 112) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0034014
k( 113) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0034014
k( 114) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0034014
k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0034014
k( 116) = ( 0.1574074 0.1574074 0.0000000), wk = 0.0034014
k( 117) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0034014
k( 118) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0034014
k( 119) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0034014
k( 120) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0034014
k( 121) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0034014
k( 122) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0034014
k( 123) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0034014
k( 124) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0034014
k( 125) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0034014
k( 126) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0034014
k( 127) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0034014
k( 128) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0034014
k( 129) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0034014
k( 130) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0034014
k( 131) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0034014
k( 132) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0034014
k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014
k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014
k( 135) = ( 0.0075758 0.0075758 0.0075758), wk = 0.0034014
k( 136) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0034014
k( 137) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0034014
k( 138) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0034014
k( 139) = ( 0.0378788 0.0378788 0.0378788), wk = 0.0034014
k( 140) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0034014
k( 141) = ( 0.0530303 0.0530303 0.0530303), wk = 0.0034014
k( 142) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0034014
k( 143) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0034014
k( 144) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0034014
k( 145) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0034014
k( 146) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0034014
k( 147) = ( 0.0984848 0.0984848 0.0984848), wk = 0.0034014
k( 148) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0034014
k( 149) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0034014
k( 150) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0034014
k( 151) = ( 0.1287879 0.1287879 0.1287879), wk = 0.0034014
k( 152) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0034014
k( 153) = ( 0.1439394 0.1439394 0.1439394), wk = 0.0034014
k( 154) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0034014
k( 155) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0034014
k( 156) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034014
k( 157) = ( 0.1742424 0.1742424 0.1742424), wk = 0.0034014
k( 158) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0034014
k( 159) = ( 0.1893939 0.1893939 0.1893939), wk = 0.0034014
k( 160) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0034014
k( 161) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0034014
k( 162) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0034014
k( 163) = ( 0.2196970 0.2196970 0.2196970), wk = 0.0034014
k( 164) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0034014
k( 165) = ( 0.2348485 0.2348485 0.2348485), wk = 0.0034014
k( 166) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0034014
k( 167) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014
k( 168) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0034014
k( 169) = ( 0.2651515 0.2651515 0.2651515), wk = 0.0034014
k( 170) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0034014
k( 171) = ( 0.2803030 0.2803030 0.2803030), wk = 0.0034014
k( 172) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0034014
k( 173) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0034014
k( 174) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0034014
k( 175) = ( 0.3106061 0.3106061 0.3106061), wk = 0.0034014
k( 176) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0034014
k( 177) = ( 0.3257576 0.3257576 0.3257576), wk = 0.0034014
k( 178) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034014
k( 179) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0034014
k( 180) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0034014
k( 181) = ( 0.3560606 0.3560606 0.3560606), wk = 0.0034014
k( 182) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0034014
k( 183) = ( 0.3712121 0.3712121 0.3712121), wk = 0.0034014
k( 184) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0034014
k( 185) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0034014
k( 186) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0034014
k( 187) = ( 0.4015151 0.4015151 0.4015151), wk = 0.0034014
k( 188) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0034014
k( 189) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0034014
k( 190) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0034014
k( 191) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0034014
k( 192) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0034014
k( 193) = ( 0.4469697 0.4469697 0.4469697), wk = 0.0034014
k( 194) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0034014
k( 195) = ( 0.4621212 0.4621212 0.4621212), wk = 0.0034014
k( 196) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0034014
k( 197) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0034014
k( 198) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0034014
k( 199) = ( 0.4924242 0.4924242 0.4924242), wk = 0.0034014
k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014
k( 201) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014
k( 202) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0034014
k( 203) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0034014
k( 204) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0034014
k( 205) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0034014
k( 206) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0034014
k( 207) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0034014
k( 208) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0034014
k( 209) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0034014
k( 210) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0034014
k( 211) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0034014
k( 212) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0034014
k( 213) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0034014
k( 214) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0034014
k( 215) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0034014
k( 216) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0034014
k( 217) = ( 0.3518519 0.5000000 0.3518519), wk = 0.0034014
k( 218) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0034014
k( 219) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0034014
k( 220) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0034014
k( 221) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0034014
k( 222) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0034014
k( 223) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0034014
k( 224) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0034014
k( 225) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0034014
k( 226) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0034014
k( 227) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0034014
k( 228) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0034014
k( 229) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0034014
k( 230) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0034014
k( 231) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0034014
k( 232) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0034014
k( 233) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0034014
k( 234) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0034014
k( 235) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0034014
k( 236) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0034014
k( 237) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0034014
k( 238) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0034014
k( 239) = ( 0.1481482 0.5000000 0.1481482), wk = 0.0034014
k( 240) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0034014
k( 241) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0034014
k( 242) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0034014
k( 243) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0034014
k( 244) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0034014
k( 245) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0034014
k( 246) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0034014
k( 247) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0034014
k( 248) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0034014
k( 249) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0034014
k( 250) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0034014
k( 251) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0034014
k( 252) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0034014
k( 253) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0034014
k( 254) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0034014
k( 255) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034014
k( 256) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014
k( 257) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034014
k( 258) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034014
k( 259) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034014
k( 260) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034014
k( 261) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034014
k( 262) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034014
k( 263) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034014
k( 264) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034014
k( 265) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034014
k( 266) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0034014
k( 267) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034014
k( 268) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034014
k( 269) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034014
k( 270) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034014
k( 271) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034014
k( 272) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034014
k( 273) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034014
k( 274) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034014
k( 275) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034014
k( 276) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034014
k( 277) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034014
k( 278) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034014
k( 279) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034014
k( 280) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034014
k( 281) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034014
k( 282) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034014
k( 283) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034014
k( 284) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0034014
k( 285) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034014
k( 286) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034014
k( 287) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034014
k( 288) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034014
k( 289) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034014
k( 290) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034014
k( 291) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034014
k( 292) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034014
k( 293) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034014
k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014
Dense grid: 46681 G-vectors FFT dimensions: ( 45, 45, 45)
Smooth grid: 23439 G-vectors FFT dimensions: ( 36, 36, 36)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.12 Mb ( 174, 46)
NL pseudopotentials 0.15 Mb ( 87, 110)
Each V/rho on FFT grid 0.06 Mb ( 4050)
Each G-vector array 0.01 Mb ( 1300)
G-vector shells 0.00 Mb ( 317)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.49 Mb ( 174, 184)
Each subspace H/S matrix 0.03 Mb ( 46, 46)
Each <psi_i|beta_j> matrix 0.15 Mb ( 110, 2, 46)
Check: negative/imaginary core charge= -0.000001 0.000000
The potential is recalculated from file :
./RbFeF3.save/charge-density.dat
Starting wfc are 58 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 2.9 secs
Computing kpt #: 2
total cpu time spent up to now is 3.1 secs
Computing kpt #: 3
total cpu time spent up to now is 3.5 secs
Computing kpt #: 4
total cpu time spent up to now is 3.9 secs
Computing kpt #: 5
total cpu time spent up to now is 4.2 secs
Computing kpt #: 6
total cpu time spent up to now is 4.5 secs
Computing kpt #: 7
total cpu time spent up to now is 4.8 secs
Computing kpt #: 8
total cpu time spent up to now is 5.1 secs
Computing kpt #: 9
total cpu time spent up to now is 5.4 secs
Computing kpt #: 10
total cpu time spent up to now is 5.7 secs
Computing kpt #: 11
total cpu time spent up to now is 6.0 secs
Computing kpt #: 12
total cpu time spent up to now is 6.3 secs
Computing kpt #: 13
total cpu time spent up to now is 6.6 secs
Computing kpt #: 14
total cpu time spent up to now is 6.9 secs
Computing kpt #: 15
total cpu time spent up to now is 7.1 secs
Computing kpt #: 16
total cpu time spent up to now is 7.4 secs
Computing kpt #: 17
total cpu time spent up to now is 7.7 secs
Computing kpt #: 18
total cpu time spent up to now is 8.0 secs
Computing kpt #: 19
total cpu time spent up to now is 8.3 secs
Computing kpt #: 20
total cpu time spent up to now is 8.6 secs
Computing kpt #: 21
total cpu time spent up to now is 8.9 secs
Computing kpt #: 22
total cpu time spent up to now is 9.2 secs
Computing kpt #: 23
total cpu time spent up to now is 9.5 secs
Computing kpt #: 24
total cpu time spent up to now is 9.8 secs
Computing kpt #: 25
total cpu time spent up to now is 10.1 secs
Computing kpt #: 26
total cpu time spent up to now is 10.4 secs
Computing kpt #: 27
total cpu time spent up to now is 10.6 secs
Computing kpt #: 28
total cpu time spent up to now is 10.9 secs
Computing kpt #: 29
total cpu time spent up to now is 11.1 secs
Computing kpt #: 30
total cpu time spent up to now is 11.3 secs
Computing kpt #: 31
total cpu time spent up to now is 11.6 secs
Computing kpt #: 32
total cpu time spent up to now is 11.8 secs
Computing kpt #: 33
total cpu time spent up to now is 12.0 secs
Computing kpt #: 34
total cpu time spent up to now is 12.2 secs
Computing kpt #: 35
total cpu time spent up to now is 12.4 secs
Computing kpt #: 36
total cpu time spent up to now is 12.6 secs
Computing kpt #: 37
total cpu time spent up to now is 12.8 secs
Computing kpt #: 38
total cpu time spent up to now is 13.0 secs
Computing kpt #: 39
total cpu time spent up to now is 13.1 secs
Computing kpt #: 40
total cpu time spent up to now is 13.3 secs
Computing kpt #: 41
total cpu time spent up to now is 13.5 secs
Computing kpt #: 42
total cpu time spent up to now is 13.7 secs
Computing kpt #: 43
total cpu time spent up to now is 13.9 secs
Computing kpt #: 44
total cpu time spent up to now is 14.1 secs
Computing kpt #: 45
total cpu time spent up to now is 14.3 secs
Computing kpt #: 46
total cpu time spent up to now is 14.5 secs
Computing kpt #: 47
total cpu time spent up to now is 14.7 secs
Computing kpt #: 48
total cpu time spent up to now is 14.9 secs
Computing kpt #: 49
total cpu time spent up to now is 15.1 secs
Computing kpt #: 50
total cpu time spent up to now is 15.4 secs
Computing kpt #: 51
total cpu time spent up to now is 15.6 secs
Computing kpt #: 52
total cpu time spent up to now is 15.8 secs
Computing kpt #: 53
total cpu time spent up to now is 16.0 secs
Computing kpt #: 54
total cpu time spent up to now is 16.2 secs
Computing kpt #: 55
total cpu time spent up to now is 16.4 secs
Computing kpt #: 56
total cpu time spent up to now is 16.6 secs
Computing kpt #: 57
total cpu time spent up to now is 16.8 secs
Computing kpt #: 58
total cpu time spent up to now is 17.0 secs
Computing kpt #: 59
total cpu time spent up to now is 17.2 secs
Computing kpt #: 60
total cpu time spent up to now is 17.4 secs
Computing kpt #: 61
total cpu time spent up to now is 17.7 secs
Computing kpt #: 62
total cpu time spent up to now is 17.9 secs
Computing kpt #: 63
total cpu time spent up to now is 18.1 secs
Computing kpt #: 64
total cpu time spent up to now is 18.3 secs
Computing kpt #: 65
total cpu time spent up to now is 18.5 secs
Computing kpt #: 66
total cpu time spent up to now is 18.7 secs
Computing kpt #: 67
total cpu time spent up to now is 18.9 secs
Computing kpt #: 68
total cpu time spent up to now is 19.2 secs
Computing kpt #: 69
total cpu time spent up to now is 19.4 secs
Computing kpt #: 70
total cpu time spent up to now is 19.6 secs
Computing kpt #: 71
total cpu time spent up to now is 19.8 secs
Computing kpt #: 72
total cpu time spent up to now is 20.0 secs
Computing kpt #: 73
total cpu time spent up to now is 20.3 secs
Computing kpt #: 74
total cpu time spent up to now is 20.5 secs
Computing kpt #: 75
total cpu time spent up to now is 20.7 secs
Computing kpt #: 76
total cpu time spent up to now is 20.9 secs
Computing kpt #: 77
total cpu time spent up to now is 21.1 secs
Computing kpt #: 78
total cpu time spent up to now is 21.4 secs
Computing kpt #: 79
total cpu time spent up to now is 21.6 secs
Computing kpt #: 80
total cpu time spent up to now is 21.8 secs
Computing kpt #: 81
total cpu time spent up to now is 22.0 secs
Computing kpt #: 82
total cpu time spent up to now is 22.2 secs
Computing kpt #: 83
total cpu time spent up to now is 22.5 secs
Computing kpt #: 84
total cpu time spent up to now is 22.7 secs
Computing kpt #: 85
total cpu time spent up to now is 22.9 secs
Computing kpt #: 86
total cpu time spent up to now is 23.1 secs
Computing kpt #: 87
total cpu time spent up to now is 23.3 secs
Computing kpt #: 88
total cpu time spent up to now is 23.6 secs
Computing kpt #: 89
total cpu time spent up to now is 23.8 secs
Computing kpt #: 90
total cpu time spent up to now is 24.0 secs
Computing kpt #: 91
total cpu time spent up to now is 24.2 secs
Computing kpt #: 92
total cpu time spent up to now is 24.4 secs
Computing kpt #: 93
total cpu time spent up to now is 24.6 secs
Computing kpt #: 94
total cpu time spent up to now is 24.9 secs
Computing kpt #: 95
total cpu time spent up to now is 25.1 secs
Computing kpt #: 96
total cpu time spent up to now is 25.3 secs
Computing kpt #: 97
total cpu time spent up to now is 25.6 secs
Computing kpt #: 98
total cpu time spent up to now is 25.8 secs
Computing kpt #: 99
total cpu time spent up to now is 26.0 secs
Computing kpt #: 100
total cpu time spent up to now is 26.3 secs
Computing kpt #: 101
total cpu time spent up to now is 26.5 secs
Computing kpt #: 102
total cpu time spent up to now is 26.8 secs
Computing kpt #: 103
total cpu time spent up to now is 27.0 secs
Computing kpt #: 104
total cpu time spent up to now is 27.2 secs
Computing kpt #: 105
total cpu time spent up to now is 27.5 secs
Computing kpt #: 106
total cpu time spent up to now is 27.8 secs
Computing kpt #: 107
total cpu time spent up to now is 28.0 secs
Computing kpt #: 108
total cpu time spent up to now is 28.3 secs
Computing kpt #: 109
total cpu time spent up to now is 28.5 secs
Computing kpt #: 110
total cpu time spent up to now is 28.8 secs
Computing kpt #: 111
total cpu time spent up to now is 29.1 secs
Computing kpt #: 112
total cpu time spent up to now is 29.3 secs
Computing kpt #: 113
total cpu time spent up to now is 29.6 secs
Computing kpt #: 114
total cpu time spent up to now is 29.9 secs
Computing kpt #: 115
total cpu time spent up to now is 30.2 secs
Computing kpt #: 116
total cpu time spent up to now is 30.4 secs
Computing kpt #: 117
total cpu time spent up to now is 30.7 secs
Computing kpt #: 118
total cpu time spent up to now is 31.0 secs
Computing kpt #: 119
total cpu time spent up to now is 31.2 secs
Computing kpt #: 120
total cpu time spent up to now is 31.5 secs
Computing kpt #: 121
total cpu time spent up to now is 31.8 secs
Computing kpt #: 122
total cpu time spent up to now is 32.1 secs
Computing kpt #: 123
total cpu time spent up to now is 32.4 secs
Computing kpt #: 124
total cpu time spent up to now is 32.6 secs
Computing kpt #: 125
total cpu time spent up to now is 32.9 secs
Computing kpt #: 126
total cpu time spent up to now is 33.2 secs
Computing kpt #: 127
total cpu time spent up to now is 33.6 secs
Computing kpt #: 128
total cpu time spent up to now is 33.9 secs
Computing kpt #: 129
total cpu time spent up to now is 34.3 secs
Computing kpt #: 130
total cpu time spent up to now is 34.7 secs
Computing kpt #: 131
total cpu time spent up to now is 34.9 secs
Computing kpt #: 132
total cpu time spent up to now is 35.1 secs
Computing kpt #: 133
total cpu time spent up to now is 35.3 secs
Computing kpt #: 134
total cpu time spent up to now is 35.5 secs
Computing kpt #: 135
total cpu time spent up to now is 35.7 secs
Computing kpt #: 136
total cpu time spent up to now is 35.9 secs
Computing kpt #: 137
total cpu time spent up to now is 36.2 secs
Computing kpt #: 138
total cpu time spent up to now is 36.4 secs
Computing kpt #: 139
total cpu time spent up to now is 36.6 secs
Computing kpt #: 140
total cpu time spent up to now is 36.8 secs
Computing kpt #: 141
total cpu time spent up to now is 37.0 secs
Computing kpt #: 142
total cpu time spent up to now is 37.2 secs
Computing kpt #: 143
total cpu time spent up to now is 37.6 secs
Computing kpt #: 144
total cpu time spent up to now is 37.8 secs
Computing kpt #: 145
total cpu time spent up to now is 38.2 secs
Computing kpt #: 146
total cpu time spent up to now is 38.6 secs
Computing kpt #: 147
total cpu time spent up to now is 38.9 secs
Computing kpt #: 148
total cpu time spent up to now is 39.3 secs
Computing kpt #: 149
total cpu time spent up to now is 39.7 secs
Computing kpt #: 150
total cpu time spent up to now is 40.1 secs
Computing kpt #: 151
total cpu time spent up to now is 40.6 secs
Computing kpt #: 152
total cpu time spent up to now is 41.0 secs
Computing kpt #: 153
total cpu time spent up to now is 41.4 secs
Computing kpt #: 154
total cpu time spent up to now is 41.8 secs
Computing kpt #: 155
total cpu time spent up to now is 42.2 secs
Computing kpt #: 156
total cpu time spent up to now is 42.6 secs
Computing kpt #: 157
total cpu time spent up to now is 43.0 secs
Computing kpt #: 158
total cpu time spent up to now is 43.4 secs
Computing kpt #: 159
total cpu time spent up to now is 44.0 secs
Computing kpt #: 160
total cpu time spent up to now is 44.4 secs
Computing kpt #: 161
total cpu time spent up to now is 44.8 secs
Computing kpt #: 162
total cpu time spent up to now is 45.4 secs
Computing kpt #: 163
total cpu time spent up to now is 45.9 secs
Computing kpt #: 164
total cpu time spent up to now is 46.3 secs
Computing kpt #: 165
total cpu time spent up to now is 46.7 secs
Computing kpt #: 166
total cpu time spent up to now is 47.2 secs
Computing kpt #: 167
total cpu time spent up to now is 47.6 secs
Computing kpt #: 168
total cpu time spent up to now is 48.0 secs
Computing kpt #: 169
total cpu time spent up to now is 48.4 secs
Computing kpt #: 170
total cpu time spent up to now is 48.8 secs
Computing kpt #: 171
total cpu time spent up to now is 49.3 secs
Computing kpt #: 172
total cpu time spent up to now is 49.7 secs
Computing kpt #: 173
total cpu time spent up to now is 50.1 secs
Computing kpt #: 174
total cpu time spent up to now is 50.5 secs
Computing kpt #: 175
total cpu time spent up to now is 50.8 secs
Computing kpt #: 176
total cpu time spent up to now is 51.1 secs
Computing kpt #: 177
total cpu time spent up to now is 51.5 secs
Computing kpt #: 178
total cpu time spent up to now is 51.8 secs
Computing kpt #: 179
total cpu time spent up to now is 52.1 secs
Computing kpt #: 180
total cpu time spent up to now is 52.3 secs
Computing kpt #: 181
total cpu time spent up to now is 52.6 secs
Computing kpt #: 182
total cpu time spent up to now is 52.9 secs
Computing kpt #: 183
total cpu time spent up to now is 53.2 secs
Computing kpt #: 184
total cpu time spent up to now is 53.4 secs
Computing kpt #: 185
total cpu time spent up to now is 53.7 secs
Computing kpt #: 186
total cpu time spent up to now is 54.0 secs
Computing kpt #: 187
total cpu time spent up to now is 54.2 secs
Computing kpt #: 188
total cpu time spent up to now is 54.5 secs
Computing kpt #: 189
total cpu time spent up to now is 54.7 secs
Computing kpt #: 190
total cpu time spent up to now is 55.0 secs
Computing kpt #: 191
total cpu time spent up to now is 55.2 secs
Computing kpt #: 192
total cpu time spent up to now is 55.4 secs
Computing kpt #: 193
total cpu time spent up to now is 55.7 secs
Computing kpt #: 194
total cpu time spent up to now is 56.0 secs
Computing kpt #: 195
total cpu time spent up to now is 56.2 secs
Computing kpt #: 196
total cpu time spent up to now is 56.4 secs
Computing kpt #: 197
total cpu time spent up to now is 56.7 secs
Computing kpt #: 198
total cpu time spent up to now is 56.9 secs
Computing kpt #: 199
total cpu time spent up to now is 57.2 secs
Computing kpt #: 200
total cpu time spent up to now is 57.4 secs
Computing kpt #: 201
total cpu time spent up to now is 57.6 secs
Computing kpt #: 202
total cpu time spent up to now is 57.9 secs
Computing kpt #: 203
total cpu time spent up to now is 58.2 secs
Computing kpt #: 204
total cpu time spent up to now is 58.4 secs
Computing kpt #: 205
total cpu time spent up to now is 58.7 secs
Computing kpt #: 206
total cpu time spent up to now is 58.9 secs
Computing kpt #: 207
total cpu time spent up to now is 59.2 secs
Computing kpt #: 208
total cpu time spent up to now is 59.4 secs
Computing kpt #: 209
total cpu time spent up to now is 59.7 secs
Computing kpt #: 210
total cpu time spent up to now is 60.0 secs
Computing kpt #: 211
total cpu time spent up to now is 60.2 secs
Computing kpt #: 212
total cpu time spent up to now is 60.5 secs
Computing kpt #: 213
total cpu time spent up to now is 60.8 secs
Computing kpt #: 214
total cpu time spent up to now is 61.0 secs
Computing kpt #: 215
total cpu time spent up to now is 61.3 secs
Computing kpt #: 216
total cpu time spent up to now is 61.6 secs
Computing kpt #: 217
total cpu time spent up to now is 61.9 secs
Computing kpt #: 218
total cpu time spent up to now is 62.1 secs
Computing kpt #: 219
total cpu time spent up to now is 62.4 secs
Computing kpt #: 220
total cpu time spent up to now is 62.6 secs
Computing kpt #: 221
total cpu time spent up to now is 62.9 secs
Computing kpt #: 222
total cpu time spent up to now is 63.1 secs
Computing kpt #: 223
total cpu time spent up to now is 63.3 secs
Computing kpt #: 224
total cpu time spent up to now is 63.6 secs
Computing kpt #: 225
total cpu time spent up to now is 63.8 secs
Computing kpt #: 226
total cpu time spent up to now is 64.0 secs
Computing kpt #: 227
total cpu time spent up to now is 64.2 secs
Computing kpt #: 228
total cpu time spent up to now is 64.4 secs
Computing kpt #: 229
total cpu time spent up to now is 64.7 secs
Computing kpt #: 230
total cpu time spent up to now is 64.9 secs
Computing kpt #: 231
total cpu time spent up to now is 65.1 secs
Computing kpt #: 232
total cpu time spent up to now is 65.3 secs
Computing kpt #: 233
total cpu time spent up to now is 65.5 secs
Computing kpt #: 234
total cpu time spent up to now is 65.7 secs
Computing kpt #: 235
total cpu time spent up to now is 65.9 secs
Computing kpt #: 236
total cpu time spent up to now is 66.1 secs
Computing kpt #: 237
total cpu time spent up to now is 66.3 secs
Computing kpt #: 238
total cpu time spent up to now is 66.5 secs
Computing kpt #: 239
total cpu time spent up to now is 66.8 secs
Computing kpt #: 240
total cpu time spent up to now is 67.0 secs
Computing kpt #: 241
total cpu time spent up to now is 67.2 secs
Computing kpt #: 242
total cpu time spent up to now is 67.4 secs
Computing kpt #: 243
total cpu time spent up to now is 67.6 secs
Computing kpt #: 244
total cpu time spent up to now is 67.8 secs
Computing kpt #: 245
total cpu time spent up to now is 68.0 secs
Computing kpt #: 246
total cpu time spent up to now is 68.2 secs
Computing kpt #: 247
total cpu time spent up to now is 68.4 secs
Computing kpt #: 248
total cpu time spent up to now is 68.6 secs
Computing kpt #: 249
total cpu time spent up to now is 68.8 secs
Computing kpt #: 250
total cpu time spent up to now is 69.0 secs
Computing kpt #: 251
total cpu time spent up to now is 69.2 secs
Computing kpt #: 252
total cpu time spent up to now is 69.4 secs
Computing kpt #: 253
total cpu time spent up to now is 69.5 secs
Computing kpt #: 254
total cpu time spent up to now is 69.7 secs
Computing kpt #: 255
total cpu time spent up to now is 69.9 secs
Computing kpt #: 256
total cpu time spent up to now is 70.2 secs
Computing kpt #: 257
total cpu time spent up to now is 70.4 secs
Computing kpt #: 258
total cpu time spent up to now is 70.6 secs
Computing kpt #: 259
total cpu time spent up to now is 70.8 secs
Computing kpt #: 260
total cpu time spent up to now is 71.1 secs
Computing kpt #: 261
total cpu time spent up to now is 71.4 secs
Computing kpt #: 262
total cpu time spent up to now is 71.7 secs
Computing kpt #: 263
total cpu time spent up to now is 71.9 secs
Computing kpt #: 264
total cpu time spent up to now is 72.3 secs
Computing kpt #: 265
total cpu time spent up to now is 72.8 secs
Computing kpt #: 266
total cpu time spent up to now is 73.3 secs
Computing kpt #: 267
total cpu time spent up to now is 73.7 secs
Computing kpt #: 268
total cpu time spent up to now is 74.1 secs
Computing kpt #: 269
total cpu time spent up to now is 74.5 secs
Computing kpt #: 270
total cpu time spent up to now is 74.8 secs
Computing kpt #: 271
total cpu time spent up to now is 75.1 secs
Computing kpt #: 272
total cpu time spent up to now is 75.4 secs
Computing kpt #: 273
total cpu time spent up to now is 75.7 secs
Computing kpt #: 274
total cpu time spent up to now is 76.0 secs
Computing kpt #: 275
total cpu time spent up to now is 76.3 secs
Computing kpt #: 276
total cpu time spent up to now is 76.5 secs
Computing kpt #: 277
total cpu time spent up to now is 76.8 secs
Computing kpt #: 278
total cpu time spent up to now is 77.1 secs
Computing kpt #: 279
total cpu time spent up to now is 77.4 secs
Computing kpt #: 280
total cpu time spent up to now is 77.6 secs
Computing kpt #: 281
total cpu time spent up to now is 77.9 secs
Computing kpt #: 282
total cpu time spent up to now is 78.2 secs
Computing kpt #: 283
total cpu time spent up to now is 78.4 secs
Computing kpt #: 284
total cpu time spent up to now is 78.7 secs
Computing kpt #: 285
total cpu time spent up to now is 79.0 secs
Computing kpt #: 286
total cpu time spent up to now is 79.2 secs
Computing kpt #: 287
total cpu time spent up to now is 79.5 secs
Computing kpt #: 288
total cpu time spent up to now is 79.7 secs
Computing kpt #: 289
total cpu time spent up to now is 80.0 secs
Computing kpt #: 290
total cpu time spent up to now is 80.2 secs
Computing kpt #: 291
total cpu time spent up to now is 80.5 secs
Computing kpt #: 292
total cpu time spent up to now is 80.7 secs
Computing kpt #: 293
total cpu time spent up to now is 81.0 secs
Computing kpt #: 294
total cpu time spent up to now is 81.2 secs
ethr = 2.63E-08, avg # of iterations = 23.3
total cpu time spent up to now is 81.2 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev):
-19.4422 -19.4422 -17.2562 -17.2562 -16.9097 -16.9097 -16.9097 -16.9097
-4.1154 -4.1154 -3.2915 -3.2915 -3.2915 -3.2915 0.4409 0.4409
0.4906 0.4906 0.4906 0.4906 1.9729 1.9729 1.9729 1.9729
2.0022 2.0022 2.1918 2.1918 2.2900 2.2900 2.2900 2.2900
5.7756 5.7756 5.7756 5.7756 5.8697 5.8697 6.4129 6.4129
6.4129 6.4129 9.2813 9.2813 12.5736 12.5736
k = 0.0000 0.0132-0.0000 ( 2945 PWs) bands (ev):
-19.4421 -19.4421 -17.2562 -17.2562 -16.9099 -16.9099 -16.9097 -16.9097
-4.1153 -4.1153 -3.2914 -3.2914 -3.2913 -3.2913 0.4406 0.4406
0.4898 0.4898 0.4906 0.4906 1.9724 1.9724 1.9725 1.9725
2.0017 2.0017 2.1908 2.1908 2.2885 2.2885 2.2895 2.2895
5.7759 5.7759 5.7765 5.7765 5.8703 5.8703 6.4129 6.4129
6.4148 6.4148 9.2845 9.2845 12.5752 12.5757
k = 0.0000 0.0263-0.0000 ( 2945 PWs) bands (ev):
-19.4417 -19.4417 -17.2560 -17.2560 -16.9102 -16.9102 -16.9097 -16.9097
-4.1150 -4.1150 -3.2911 -3.2911 -3.2906 -3.2906 0.4395 0.4395
0.4876 0.4876 0.4905 0.4905 1.9708 1.9708 1.9714 1.9714
2.0004 2.0004 2.1880 2.1880 2.2841 2.2841 2.2881 2.2881
5.7768 5.7768 5.7791 5.7791 5.8721 5.8721 6.4130 6.4130
6.4205 6.4205 9.2939 9.2939 12.5796 12.5796
k = 0.0000 0.0395-0.0000 ( 2945 PWs) bands (ev):
-19.4411 -19.4411 -17.2557 -17.2557 -16.9108 -16.9108 -16.9097 -16.9097
-4.1145 -4.1145 -3.2907 -3.2907 -3.2895 -3.2895 0.4374 0.4374
0.4841 0.4841 0.4904 0.4904 1.9682 1.9682 1.9695 1.9695
1.9981 1.9981 2.1830 2.1830 2.2770 2.2770 2.2857 2.2857
5.7783 5.7783 5.7834 5.7834 5.8751 5.8751 6.4131 6.4131
6.4300 6.4300 9.3096 9.3096 12.5871 12.5871
k = 0.0000 0.0526-0.0000 ( 2937 PWs) bands (ev):
-19.4402 -19.4402 -17.2554 -17.2554 -16.9115 -16.9115 -16.9096 -16.9096
-4.1138 -4.1138 -3.2901 -3.2901 -3.2880 -3.2880 0.4340 0.4340
0.4798 0.4798 0.4901 0.4901 1.9645 1.9645 1.9668 1.9668
1.9950 1.9950 2.1757 2.1757 2.2677 2.2677 2.2823 2.2823
5.7802 5.7802 5.7894 5.7894 5.8794 5.8794 6.4132 6.4132
6.4430 6.4430 9.3316 9.3316 12.5974 12.5974
k = 0.0000 0.0658-0.0000 ( 2929 PWs) bands (ev):
-19.4391 -19.4391 -17.2549 -17.2549 -16.9125 -16.9125 -16.9095 -16.9095
-4.1129 -4.1129 -3.2894 -3.2894 -3.2861 -3.2861 0.4286 0.4286
0.4754 0.4754 0.4899 0.4899 1.9598 1.9598 1.9634 1.9634
1.9911 1.9911 2.1657 2.1657 2.2568 2.2568 2.2781 2.2781
5.7824 5.7824 5.7971 5.7971 5.8850 5.8850 6.4134 6.4134
6.4594 6.4594 9.3597 9.3597 12.6107 12.6107
k = 0.0000 0.0789-0.0000 ( 2929 PWs) bands (ev):
-19.4377 -19.4377 -17.2543 -17.2543 -16.9137 -16.9137 -16.9094 -16.9094
-4.1118 -4.1118 -3.2885 -3.2885 -3.2837 -3.2837 0.4207 0.4207
0.4715 0.4715 0.4895 0.4895 1.9542 1.9542 1.9593 1.9593
1.9864 1.9864 2.1526 2.1526 2.2449 2.2449 2.2730 2.2730
5.7848 5.7848 5.8062 5.8062 5.8920 5.8920 6.4136 6.4136
6.4789 6.4789 9.3938 9.3938 12.6267 12.6267
k = 0.0000 0.0921-0.0000 ( 2933 PWs) bands (ev):
-19.4361 -19.4361 -17.2537 -17.2537 -16.9151 -16.9151 -16.9093 -16.9093
-4.1105 -4.1105 -3.2874 -3.2874 -3.2810 -3.2810 0.4100 0.4100
0.4684 0.4684 0.4891 0.4891 1.9476 1.9476 1.9544 1.9544
1.9810 1.9810 2.1359 2.1359 2.2327 2.2327 2.2671 2.2671
5.7873 5.7873 5.8168 5.8168 5.9004 5.9004 6.4138 6.4138
6.5011 6.5011 9.4340 9.4340 12.6455 12.6455
k = 0.0000 0.1053-0.0000 ( 2925 PWs) bands (ev):
-19.4343 -19.4343 -17.2529 -17.2529 -16.9167 -16.9167 -16.9092 -16.9092
-4.1090 -4.1090 -3.2862 -3.2862 -3.2779 -3.2779 0.3965 0.3965
0.4662 0.4662 0.4886 0.4886 1.9402 1.9402 1.9488 1.9488
1.9750 1.9750 2.1157 2.1157 2.2207 2.2207 2.2605 2.2605
5.7898 5.7898 5.8288 5.8288 5.9103 5.9103 6.4140 6.4140
6.5261 6.5261 9.4800 9.4800 12.6669 12.6669
k = 0.0000 0.1184-0.0000 ( 2925 PWs) bands (ev):
-19.4323 -19.4323 -17.2521 -17.2521 -16.9184 -16.9184 -16.9090 -16.9090
-4.1074 -4.1074 -3.2848 -3.2848 -3.2744 -3.2744 0.3807 0.3807
0.4647 0.4647 0.4880 0.4880 1.9319 1.9319 1.9424 1.9424
1.9685 1.9685 2.0919 2.0919 2.2092 2.2092 2.2531 2.2531
5.7922 5.7922 5.8420 5.8420 5.9216 5.9216 6.4143 6.4143
6.5531 6.5531 9.5317 9.5317 12.6907 12.6907
k = 0.0000 0.1316-0.0000 ( 2925 PWs) bands (ev):
-19.4301 -19.4301 -17.2513 -17.2513 -16.9203 -16.9203 -16.9089 -16.9089
-4.1057 -4.1057 -3.2833 -3.2833 -3.2706 -3.2706 0.3627 0.3627
0.4637 0.4637 0.4873 0.4873 1.9229 1.9229 1.9354 1.9354
1.9615 1.9615 2.0652 2.0652 2.1980 2.1980 2.2451 2.2451
5.7946 5.7946 5.8564 5.8564 5.9341 5.9341 6.4146 6.4146
6.5820 6.5820 9.5890 9.5890 12.7170 12.7170
k = 0.0000 0.1447-0.0000 ( 2918 PWs) bands (ev):
-19.4277 -19.4277 -17.2504 -17.2504 -16.9223 -16.9223 -16.9087 -16.9087
-4.1038 -4.1038 -3.2817 -3.2817 -3.2665 -3.2665 0.3430 0.3430
0.4631 0.4631 0.4866 0.4866 1.9131 1.9131 1.9277 1.9277
1.9541 1.9541 2.0358 2.0358 2.1871 2.1871 2.2364 2.2364
5.7968 5.7968 5.8720 5.8720 5.9480 5.9480 6.4149 6.4149
6.6124 6.6124 9.6517 9.6517 12.7455 12.7455
k = 0.0000 0.1579-0.0000 ( 2918 PWs) bands (ev):
-19.4252 -19.4252 -17.2494 -17.2494 -16.9244 -16.9244 -16.9085 -16.9085
-4.1018 -4.1018 -3.2799 -3.2799 -3.2621 -3.2621 0.3216 0.3216
0.4627 0.4627 0.4857 0.4857 1.9028 1.9028 1.9195 1.9195
1.9464 1.9464 2.0044 2.0044 2.1764 2.1764 2.2273 2.2273
5.7990 5.7990 5.8883 5.8883 5.9628 5.9628 6.4153 6.4153
6.6440 6.6440 9.7195 9.7195 12.7761 12.7761
k = 0.0000 0.1711-0.0000 ( 2914 PWs) bands (ev):
-19.4225 -19.4225 -17.2485 -17.2485 -16.9266 -16.9266 -16.9083 -16.9083
-4.0997 -4.0997 -3.2780 -3.2780 -3.2574 -3.2574 0.2990 0.2990
0.4625 0.4625 0.4847 0.4847 1.8918 1.8918 1.9106 1.9106
1.9386 1.9386 1.9713 1.9713 2.1658 2.1658 2.2176 2.2176
5.8010 5.8010 5.9055 5.9055 5.9787 5.9787 6.4157 6.4157
6.6764 6.6764 9.7923 9.7923 12.8085 12.8085
k = 0.0000 0.1842-0.0000 ( 2918 PWs) bands (ev):
-19.4197 -19.4197 -17.2475 -17.2475 -16.9289 -16.9289 -16.9082 -16.9082
-4.0974 -4.0974 -3.2760 -3.2760 -3.2525 -3.2525 0.2753 0.2753
0.4623 0.4623 0.4836 0.4836 1.8804 1.8804 1.9014 1.9014
1.9305 1.9305 1.9372 1.9372 2.1552 2.1552 2.2076 2.2076
5.8029 5.8029 5.9234 5.9234 5.9954 5.9954 6.4161 6.4161
6.7094 6.7094 9.8699 9.8699 12.8427 12.8427
k = 0.0000 0.1974-0.0000 ( 2922 PWs) bands (ev):
-19.4167 -19.4167 -17.2465 -17.2465 -16.9312 -16.9312 -16.9080 -16.9080
-4.0951 -4.0951 -3.2739 -3.2739 -3.2474 -3.2474 0.2508 0.2508
0.4623 0.4623 0.4824 0.4824 1.8686 1.8686 1.8918 1.8918
1.9023 1.9023 1.9223 1.9223 2.1447 2.1447 2.1972 2.1972
5.8047 5.8047 5.9418 5.9418 6.0127 6.0127 6.4165 6.4165
6.7426 6.7426 9.9520 9.9520 12.8784 12.8784
k = 0.0000 0.2105-0.0000 ( 2922 PWs) bands (ev):
-19.4137 -19.4137 -17.2456 -17.2456 -16.9336 -16.9336 -16.9078 -16.9078
-4.0928 -4.0928 -3.2717 -3.2717 -3.2422 -3.2422 0.2255 0.2255
0.4623 0.4623 0.4811 0.4811 1.8558 1.8558 1.8677 1.8677
1.8819 1.8819 1.9140 1.9140 2.1341 2.1341 2.1865 2.1865
5.8064 5.8064 5.9606 5.9606 6.0306 6.0306 6.4170 6.4170
6.7759 6.7759 10.0383 10.0383 12.9154 12.9154
k = 0.0000 0.2237-0.0000 ( 2918 PWs) bands (ev):
-19.4106 -19.4106 -17.2446 -17.2446 -16.9360 -16.9360 -16.9075 -16.9075
-4.0903 -4.0903 -3.2695 -3.2695 -3.2368 -3.2368 0.1998 0.1998
0.4623 0.4623 0.4797 0.4797 1.8300 1.8300 1.8457 1.8457
1.8718 1.8718 1.9057 1.9057 2.1236 2.1236 2.1757 2.1757
5.8080 5.8080 5.9798 5.9798 6.0489 6.0489 6.4175 6.4175
6.8090 6.8090 10.1285 10.1285 12.9535 12.9535
k = 0.0000 0.2368-0.0000 ( 2918 PWs) bands (ev):
-19.4074 -19.4074 -17.2437 -17.2437 -16.9384 -16.9384 -16.9073 -16.9073
-4.0879 -4.0879 -3.2672 -3.2672 -3.2313 -3.2313 0.1738 0.1738
0.4623 0.4623 0.4782 0.4782 1.7951 1.7951 1.8329 1.8329
1.8617 1.8617 1.8974 1.8974 2.1132 2.1132 2.1647 2.1647
5.8095 5.8095 5.9991 5.9991 6.0674 6.0674 6.4180 6.4180
6.8416 6.8416 10.2225 10.2225 12.9925 12.9925
k = 0.0000 0.2500-0.0000 ( 2922 PWs) bands (ev):
-19.4042 -19.4042 -17.2429 -17.2429 -16.9407 -16.9407 -16.9071 -16.9071
-4.0854 -4.0854 -3.2648 -3.2648 -3.2257 -3.2257 0.1477 0.1477
0.4622 0.4622 0.4766 0.4766 1.7601 1.7601 1.8206 1.8206
1.8517 1.8517 1.8892 1.8892 2.1028 2.1028 2.1536 2.1536
5.8109 5.8109 6.0184 6.0184 6.0860 6.0860 6.4185 6.4185
6.8734 6.8734 10.3198 10.3198 13.0320 13.0320
k = 0.0000 0.2632-0.0000 ( 2906 PWs) bands (ev):
-19.4010 -19.4010 -17.2420 -17.2420 -16.9430 -16.9430 -16.9069 -16.9069
-4.0830 -4.0830 -3.2624 -3.2624 -3.2201 -3.2201 0.1217 0.1217
0.4622 0.4622 0.4749 0.4749 1.7258 1.7258 1.8084 1.8084
1.8418 1.8418 1.8810 1.8810 2.0926 2.0926 2.1426 2.1426
5.8123 5.8123 6.0376 6.0376 6.1046 6.1046 6.4191 6.4191
6.9045 6.9045 10.4202 10.4202 13.0719 13.0719
k = 0.0000 0.2763-0.0000 ( 2906 PWs) bands (ev):
-19.3978 -19.3978 -17.2413 -17.2413 -16.9453 -16.9453 -16.9067 -16.9067
-4.0805 -4.0805 -3.2600 -3.2600 -3.2145 -3.2145 0.0960 0.0960
0.4621 0.4621 0.4731 0.4731 1.6922 1.6922 1.7964 1.7964
1.8321 1.8321 1.8729 1.8729 2.0826 2.0826 2.1316 2.1316
5.8137 5.8137 6.0566 6.0566 6.1229 6.1229 6.4197 6.4197
6.9345 6.9345 10.5234 10.5234 13.1119 13.1119
k = 0.0000 0.2895-0.0000 ( 2898 PWs) bands (ev):
-19.3947 -19.3947 -17.2406 -17.2406 -16.9475 -16.9475 -16.9065 -16.9065
-4.0781 -4.0781 -3.2576 -3.2576 -3.2090 -3.2090 0.0707 0.0707
0.4620 0.4620 0.4713 0.4713 1.6597 1.6597 1.7847 1.7847
1.8227 1.8227 1.8650 1.8650 2.0727 2.0727 2.1207 2.1207
5.8149 5.8149 6.0752 6.0752 6.1410 6.1410 6.4203 6.4203
6.9635 6.9635 10.6291 10.6291 13.1517 13.1517
k = 0.0000 0.3026-0.0000 ( 2898 PWs) bands (ev):
-19.3916 -19.3916 -17.2400 -17.2400 -16.9496 -16.9496 -16.9063 -16.9063
-4.0758 -4.0758 -3.2553 -3.2553 -3.2035 -3.2035 0.0461 0.0461
0.4619 0.4619 0.4693 0.4693 1.6284 1.6284 1.7734 1.7734
1.8137 1.8137 1.8574 1.8574 2.0632 2.0632 2.1100 2.1100
5.8161 5.8161 6.0933 6.0933 6.1585 6.1585 6.4209 6.4209
6.9912 6.9912 10.7369 10.7369 13.1910 13.1910
k = 0.0000 0.3158-0.0000 ( 2914 PWs) bands (ev):
-19.3885 -19.3885 -17.2394 -17.2394 -16.9516 -16.9516 -16.9061 -16.9061
-4.0735 -4.0735 -3.2529 -3.2529 -3.1982 -3.1982 0.0222 0.0222
0.4617 0.4617 0.4673 0.4673 1.5984 1.5984 1.7625 1.7625
1.8051 1.8051 1.8499 1.8499 2.0540 2.0540 2.0996 2.0996
5.8172 5.8172 6.1108 6.1108 6.1754 6.1754 6.4215 6.4215
7.0174 7.0174 10.8466 10.8466 13.2296 13.2572
k = 0.0000 0.3289-0.0000 ( 2910 PWs) bands (ev):
-19.3856 -19.3856 -17.2390 -17.2390 -16.9534 -16.9534 -16.9059 -16.9059
-4.0713 -4.0713 -3.2507 -3.2507 -3.1931 -3.1931 -0.0006 -0.0006
0.4615 0.4615 0.4654 0.4654 1.5700 1.5700 1.7521 1.7521
1.7970 1.7970 1.8429 1.8429 2.0451 2.0451 2.0894 2.0894
5.8183 5.8183 6.1276 6.1276 6.1916 6.1916 6.4222 6.4222
7.0421 7.0421 10.9578 10.9578 13.2476 13.2477
k = 0.0000 0.3421-0.0000 ( 2918 PWs) bands (ev):
-19.3828 -19.3828 -17.2386 -17.2386 -16.9552 -16.9552 -16.9057 -16.9057
-4.0692 -4.0692 -3.2485 -3.2485 -3.1881 -3.1881 -0.0224 -0.0224
0.4612 0.4612 0.4634 0.4634 1.5431 1.5431 1.7423 1.7423
1.7895 1.7895 1.8361 1.8361 2.0366 2.0366 2.0797 2.0797
5.8193 5.8193 6.1436 6.1436 6.2070 6.2070 6.4229 6.4229
7.0653 7.0653 11.0702 11.0702 13.2284 13.2284
k = 0.0000 0.3553-0.0000 ( 2902 PWs) bands (ev):
-19.3801 -19.3801 -17.2382 -17.2382 -16.9568 -16.9568 -16.9055 -16.9055
-4.0672 -4.0672 -3.2464 -3.2464 -3.1834 -3.1834 -0.0430 -0.0430
0.4609 0.4609 0.4615 0.4615 1.5180 1.5180 1.7330 1.7330
1.7825 1.7825 1.8297 1.8297 2.0287 2.0287 2.0705 2.0705
5.8202 5.8202 6.1588 6.1588 6.2216 6.2216 6.4237 6.4237
7.0869 7.0869 11.1836 11.1836 13.1997 13.1997
k = 0.0000 0.3684-0.0000 ( 2906 PWs) bands (ev):
-19.3776 -19.3776 -17.2379 -17.2379 -16.9583 -16.9583 -16.9054 -16.9054
-4.0653 -4.0653 -3.2444 -3.2444 -3.1790 -3.1790 -0.0623 -0.0623
0.4596 0.4596 0.4607 0.4607 1.4948 1.4948 1.7245 1.7245
1.7761 1.7761 1.8237 1.8237 2.0212 2.0212 2.0618 2.0618
5.8211 5.8211 6.1729 6.1729 6.2351 6.2351 6.4244 6.4244
7.1066 7.1066 11.2975 11.2975 13.1617 13.1617
k = 0.0000 0.3816-0.0000 ( 2898 PWs) bands (ev):
-19.3753 -19.3753 -17.2377 -17.2377 -16.9596 -16.9596 -16.9052 -16.9052
-4.0636 -4.0636 -3.2425 -3.2425 -3.1749 -3.1749 -0.0800 -0.0800
0.4578 0.4578 0.4604 0.4604 1.4736 1.4736 1.7166 1.7166
1.7703 1.7703 1.8182 1.8182 2.0143 2.0143 2.0537 2.0537
5.8219 5.8219 6.1859 6.1859 6.2476 6.2476 6.4252 6.4252
7.1247 7.1247 11.4117 11.4117 13.1149 13.1149
k = 0.0000 0.3947-0.0000 ( 2898 PWs) bands (ev):
-19.3732 -19.3732 -17.2376 -17.2376 -16.9608 -16.9608 -16.9051 -16.9051
-4.0620 -4.0620 -3.2408 -3.2408 -3.1711 -3.1711 -0.0962 -0.0962
0.4561 0.4561 0.4601 0.4601 1.4543 1.4543 1.7095 1.7095
1.7651 1.7651 1.8132 1.8132 2.0080 2.0080 2.0462 2.0462
5.8227 5.8227 6.1978 6.1978 6.2588 6.2588 6.4260 6.4260
7.1410 7.1410 11.5259 11.5259 13.0599 13.0599
k = 0.0000 0.4079-0.0000 ( 2894 PWs) bands (ev):
-19.3712 -19.3712 -17.2374 -17.2374 -16.9618 -16.9618 -16.9050 -16.9050
-4.0606 -4.0606 -3.2393 -3.2393 -3.1677 -3.1677 -0.1107 -0.1107
0.4545 0.4545 0.4598 0.4598 1.4372 1.4372 1.7032 1.7032
1.7606 1.7606 1.8087 1.8087 2.0023 2.0023 2.0395 2.0395
5.8233 5.8233 6.2085 6.2085 6.2688 6.2688 6.4268 6.4268
7.1555 7.1555 11.6397 11.6397 12.9974 12.9974
k = 0.0000 0.4211-0.0000 ( 2902 PWs) bands (ev):
-19.3695 -19.3695 -17.2373 -17.2373 -16.9628 -16.9628 -16.9049 -16.9049
-4.0594 -4.0594 -3.2379 -3.2379 -3.1647 -3.1647 -0.1235 -0.1235
0.4531 0.4531 0.4595 0.4595 1.4222 1.4222 1.6976 1.6976
1.7567 1.7567 1.8047 1.8047 1.9973 1.9973 2.0335 2.0335
5.8239 5.8239 6.2178 6.2178 6.2776 6.2776 6.4275 6.4275
7.1680 7.1680 11.7528 11.7528 12.9280 12.9280
k = 0.0000 0.4342-0.0000 ( 2906 PWs) bands (ev):
-19.3681 -19.3681 -17.2373 -17.2373 -16.9635 -16.9635 -16.9048 -16.9048
-4.0583 -4.0583 -3.2367 -3.2367 -3.1621 -3.1621 -0.1344 -0.1344
0.4519 0.4519 0.4592 0.4592 1.4095 1.4095 1.6929 1.6929
1.7534 1.7534 1.8012 1.8012 1.9930 1.9930 2.0284 2.0284
5.8243 5.8243 6.2259 6.2259 6.2850 6.2850 6.4282 6.4282
7.1787 7.1787 11.8649 11.8649 12.8523 12.8523
k = 0.0000 0.4474-0.0000 ( 2902 PWs) bands (ev):
-19.3669 -19.3669 -17.2372 -17.2372 -16.9642 -16.9642 -16.9047 -16.9047
-4.0574 -4.0574 -3.2358 -3.2358 -3.1600 -3.1600 -0.1434 -0.1434
0.4508 0.4508 0.4590 0.4590 1.3990 1.3990 1.6890 1.6890
1.7507 1.7507 1.7984 1.7984 1.9895 1.9895 2.0241 2.0241
5.8247 5.8247 6.2325 6.2325 6.2911 6.2911 6.4288 6.4288
7.1875 7.1875 11.9757 11.9757 12.7709 12.7709
k = 0.0000 0.4605-0.0000 ( 2902 PWs) bands (ev):
-19.3659 -19.3659 -17.2372 -17.2372 -16.9646 -16.9646 -16.9046 -16.9046
-4.0567 -4.0567 -3.2350 -3.2350 -3.1583 -3.1583 -0.1505 -0.1505
0.4500 0.4500 0.4589 0.4589 1.3907 1.3907 1.6860 1.6860
1.7486 1.7486 1.7963 1.7963 1.9867 1.9867 2.0207 2.0207
5.8250 5.8250 6.2377 6.2377 6.2959 6.2959 6.4293 6.4293
7.1943 7.1943 12.0849 12.0849 12.6844 12.6844
k = 0.0000 0.4737-0.0000 ( 2906 PWs) bands (ev):
-19.3652 -19.3652 -17.2372 -17.2372 -16.9650 -16.9650 -16.9046 -16.9046
-4.0562 -4.0562 -3.2344 -3.2344 -3.1571 -3.1571 -0.1556 -0.1556
0.4494 0.4494 0.4587 0.4587 1.3849 1.3849 1.6838 1.6838
1.7472 1.7472 1.7947 1.7947 1.9847 1.9847 2.0182 2.0182
5.8252 5.8252 6.2414 6.2414 6.2993 6.2993 6.4297 6.4297
7.1992 7.1992 12.1919 12.1919 12.5934 12.5934
k = 0.0000 0.4868-0.0000 ( 2906 PWs) bands (ev):
-19.3648 -19.3648 -17.2372 -17.2372 -16.9652 -16.9652 -16.9045 -16.9045
-4.0559 -4.0559 -3.2341 -3.2341 -3.1563 -3.1563 -0.1586 -0.1586
0.4490 0.4490 0.4586 0.4586 1.3813 1.3813 1.6825 1.6825
1.7463 1.7463 1.7937 1.7937 1.9835 1.9835 2.0168 2.0168
5.8253 5.8253 6.2437 6.2437 6.3013 6.3013 6.4299 6.4299
7.2021 7.2021 12.2963 12.2963 12.4985 12.4985
k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev):
-19.3647 -19.3647 -17.2372 -17.2372 -16.9653 -16.9653 -16.9045 -16.9045
-4.0558 -4.0558 -3.2340 -3.2340 -3.1561 -3.1561 -0.1596 -0.1596
0.4489 0.4489 0.4586 0.4586 1.3801 1.3801 1.6821 1.6821
1.7460 1.7460 1.7934 1.7934 1.9831 1.9831 2.0163 2.0163
5.8254 5.8254 6.2444 6.2444 6.3020 6.3020 6.4300 6.4300
7.2031 7.2031 12.3871 12.3871 12.4109 12.4109
k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev):
-19.3647 -19.3647 -17.2372 -17.2372 -16.9653 -16.9653 -16.9045 -16.9045
-4.0558 -4.0558 -3.2340 -3.2340 -3.1561 -3.1561 -0.1596 -0.1596
0.4489 0.4489 0.4586 0.4586 1.3801 1.3801 1.6821 1.6821
1.7460 1.7460 1.7934 1.7934 1.9831 1.9831 2.0163 2.0163
5.8254 5.8254 6.2444 6.2444 6.3020 6.3020 6.4300 6.4300
7.2031 7.2031 12.3871 12.3871 12.4109 12.4109
k = 0.0132 0.5000-0.0000 ( 2906 PWs) bands (ev):
-19.3646 -19.3646 -17.2370 -17.2370 -16.9653 -16.9653 -16.9046 -16.9046
-4.0560 -4.0560 -3.2342 -3.2342 -3.1563 -3.1563 -0.1605 -0.1605
0.4490 0.4490 0.4587 0.4587 1.3768 1.3768 1.6815 1.6815
1.7429 1.7429 1.8002 1.8002 1.9824 1.9824 2.0156 2.0156
5.8262 5.8262 6.2446 6.2446 6.3023 6.3023 6.4313 6.4313
7.2042 7.2042 12.3894 12.3894 12.4114 12.4114
k = 0.0263 0.5000-0.0000 ( 2906 PWs) bands (ev):
-19.3644 -19.3644 -17.2364 -17.2364 -16.9655 -16.9655 -16.9048 -16.9048
-4.0565 -4.0565 -3.2349 -3.2349 -3.1567 -3.1567 -0.1631 -0.1631
0.4491 0.4491 0.4590 0.4590 1.3670 1.3670 1.6799 1.6799
1.7368 1.7368 1.8169 1.8169 1.9804 1.9804 2.0135 2.0135
5.8286 5.8286 6.2453 6.2453 6.3033 6.3033 6.4351 6.4351
7.2076 7.2076 12.3962 12.3962 12.4131 12.4131
k = 0.0395 0.5000-0.0000 ( 2900 PWs) bands (ev):
-19.3640 -19.3640 -17.2354 -17.2354 -16.9659 -16.9659 -16.9052 -16.9052
-4.0573 -4.0573 -3.2361 -3.2361 -3.1575 -3.1575 -0.1673 -0.1673
0.4492 0.4492 0.4597 0.4597 1.3514 1.3514 1.6782 1.6782
1.7310 1.7310 1.8390 1.8390 1.9771 1.9771 2.0101 2.0101
5.8327 5.8327 6.2463 6.2463 6.3050 6.3050 6.4413 6.4413
7.2133 7.2133 12.4072 12.4072 12.4163 12.4163
k = 0.0526 0.5000-0.0000 ( 2906 PWs) bands (ev):
-19.3635 -19.3635 -17.2340 -17.2340 -16.9663 -16.9663 -16.9058 -16.9058
-4.0584 -4.0584 -3.2377 -3.2377 -3.1584 -3.1584 -0.1732 -0.1732
0.4488 0.4488 0.4612 0.4612 1.3308 1.3308 1.6769 1.6769
1.7259 1.7259 1.8643 1.8643 1.9726 1.9726 2.0054 2.0054
5.8383 5.8383 6.2477 6.2477 6.3072 6.3072 6.4499 6.4499
7.2212 7.2212 12.4180 12.4180 12.4251 12.4251
k = 0.0658 0.5000-0.0000 ( 2902 PWs) bands (ev):
-19.3629 -19.3629 -17.2322 -17.2322 -16.9669 -16.9669 -16.9065 -16.9065
-4.0599 -4.0599 -3.2399 -3.2399 -3.1596 -3.1596 -0.1808 -0.1808
0.4478 0.4478 0.4634 0.4634 1.3063 1.3063 1.6764 1.6764
1.7217 1.7217 1.8915 1.8915 1.9668 1.9668 1.9997 1.9997
5.8455 5.8455 6.2493 6.2493 6.3101 6.3101 6.4605 6.4605
7.2316 7.2316 12.4237 12.4237 12.4447 12.4447
k = 0.0789 0.5000-0.0000 ( 2902 PWs) bands (ev):
-19.3621 -19.3621 -17.2300 -17.2300 -16.9676 -16.9676 -16.9073 -16.9073
-4.0617 -4.0617 -3.2427 -3.2427 -3.1608 -3.1608 -0.1899 -0.1899
0.4463 0.4463 0.4666 0.4666 1.2786 1.2786 1.6762 1.6762
1.7184 1.7184 1.9196 1.9196 1.9600 1.9600 1.9933 1.9933
5.8540 5.8540 6.2512 6.2512 6.3136 6.3136 6.4730 6.4730
7.2445 7.2445 12.4297 12.4297 12.4693 12.4693
k = 0.0921 0.5000-0.0000 ( 2898 PWs) bands (ev):
-19.3612 -19.3612 -17.2275 -17.2275 -16.9684 -16.9684 -16.9084 -16.9084
-4.0638 -4.0638 -3.2461 -3.2461 -3.1620 -3.1620 -0.2005 -0.2005
0.4441 0.4441 0.4705 0.4705 1.2486 1.2486 1.6758 1.6758
1.7166 1.7166 1.9431 1.9431 1.9567 1.9567 1.9865 1.9865
5.8640 5.8640 6.2531 6.2531 6.3178 6.3178 6.4871 6.4871
7.2599 7.2599 12.4367 12.4367 12.4982 12.4982
k = 0.1053 0.5000-0.0000 ( 2906 PWs) bands (ev):
-19.3601 -19.3601 -17.2246 -17.2246 -16.9694 -16.9694 -16.9095 -16.9095
-4.0662 -4.0662 -3.2501 -3.2501 -3.1633 -3.1633 -0.2126 -0.2126
0.4414 0.4414 0.4751 0.4751 1.2169 1.2169 1.6743 1.6743
1.7168 1.7168 1.9386 1.9386 1.9748 1.9748 1.9851 1.9851
5.8752 5.8752 6.2551 6.2551 6.3227 6.3227 6.5022 6.5022
7.2780 7.2780 12.4446 12.4446 12.5313 12.5313
k = 0.1184 0.5000-0.0000 ( 2914 PWs) bands (ev):
-19.3590 -19.3590 -17.2213 -17.2213 -16.9704 -16.9704 -16.9109 -16.9109
-4.0689 -4.0689 -3.2547 -3.2547 -3.1644 -3.1644 -0.2261 -0.2261
0.4381 0.4381 0.4803 0.4803 1.1841 1.1841 1.6710 1.6710
1.7195 1.7195 1.9274 1.9274 1.9704 1.9704 2.0113 2.0113
5.8876 5.8876 6.2571 6.2571 6.3282 6.3282 6.5181 6.5181
7.2987 7.2987 12.4535 12.4535 12.5684 12.5684
k = 0.1316 0.5000-0.0000 ( 2914 PWs) bands (ev):
-19.3577 -19.3577 -17.2177 -17.2177 -16.9716 -16.9716 -16.9124 -16.9124
-4.0718 -4.0718 -3.2600 -3.2600 -3.1653 -3.1653 -0.2409 -0.2409
0.4343 0.4343 0.4863 0.4863 1.1505 1.1505 1.6659 1.6659
1.7246 1.7246 1.9144 1.9144 1.9636 1.9636 2.0404 2.0404
5.9012 5.9012 6.2590 6.2590 6.3345 6.3345 6.5344 6.5344
7.3222 7.3222 12.4633 12.4633 12.6093 12.6093
k = 0.1447 0.5000-0.0000 ( 2914 PWs) bands (ev):
-19.3564 -19.3564 -17.2137 -17.2137 -16.9728 -16.9728 -16.9141 -16.9141
-4.0750 -4.0750 -3.2658 -3.2658 -3.1660 -3.1660 -0.2569 -0.2569
0.4300 0.4300 0.4928 0.4928 1.1165 1.1165 1.6594 1.6594
1.7315 1.7315 1.8999 1.8999 1.9571 1.9571 2.0693 2.0693
5.9158 5.9158 6.2608 6.2608 6.3415 6.3415 6.5508 6.5508
7.3484 7.3484 12.4741 12.4741 12.6540 12.6540
k = 0.1579 0.5000-0.0000 ( 2914 PWs) bands (ev):
-19.3549 -19.3549 -17.2095 -17.2095 -16.9741 -16.9741 -16.9159 -16.9159
-4.0785 -4.0785 -3.2723 -3.2723 -3.1665 -3.1665 -0.2741 -0.2741
0.4251 0.4251 0.5000 0.5000 1.0825 1.0825 1.6518 1.6518
1.7399 1.7399 1.8840 1.8840 1.9511 1.9511 2.0976 2.0976
5.9312 5.9312 6.2625 6.2625 6.3493 6.3493 6.5669 6.5669
7.3771 7.3771 12.4856 12.4856 12.7020 12.7020
k = 0.1711 0.5000-0.0000 ( 2914 PWs) bands (ev):
-19.3534 -19.3534 -17.2049 -17.2049 -16.9755 -16.9755 -16.9179 -16.9179
-4.0822 -4.0822 -3.2793 -3.2793 -3.1668 -3.1668 -0.2922 -0.2922
0.4199 0.4199 0.5077 0.5077 1.0485 1.0485 1.6434 1.6434
1.7494 1.7494 1.8669 1.8669 1.9457 1.9457 2.1253 2.1253
5.9474 5.9474 6.2641 6.2641 6.3576 6.3576 6.5825 6.5825
7.4084 7.4084 12.4980 12.4980 12.7534 12.7534
k = 0.1842 0.5000-0.0000 ( 2914 PWs) bands (ev):
-19.3518 -19.3518 -17.2000 -17.2000 -16.9770 -16.9770 -16.9201 -16.9201
-4.0861 -4.0861 -3.2867 -3.2867 -3.1668 -3.1668 -0.3113 -0.3113
0.4142 0.4142 0.5159 0.5159 1.0148 1.0148 1.6343 1.6343
1.7597 1.7597 1.8488 1.8488 1.9410 1.9410 2.1522 2.1522
5.9643 5.9643 6.2656 6.2656 6.3665 6.3665 6.5973 6.5973
7.4419 7.4419 12.5111 12.5111 12.8077 12.8077
k = 0.1974 0.5000-0.0000 ( 2914 PWs) bands (ev):
-19.3501 -19.3501 -17.1949 -17.1949 -16.9785 -16.9785 -16.9224 -16.9224
-4.0901 -4.0901 -3.2945 -3.2945 -3.1666 -3.1666 -0.3312 -0.3312
0.4081 0.4081 0.5247 0.5247 0.9816 0.9816 1.6248 1.6248
1.7705 1.7705 1.8299 1.8299 1.9371 1.9371 2.1782 2.1782
5.9816 5.9816 6.2669 6.2669 6.3760 6.3760 6.6113 6.6113
7.4773 7.4773 12.5249 12.5249 12.8649 12.8649
k = 0.2105 0.5000-0.0000 ( 2918 PWs) bands (ev):
-19.3484 -19.3484 -17.1895 -17.1895 -16.9801 -16.9801 -16.9250 -16.9250
-4.0944 -4.0944 -3.3027 -3.3027 -3.1661 -3.1661 -0.3517 -0.3517
0.4018 0.4018 0.5339 0.5339 0.9490 0.9490 1.6148 1.6148
1.7814 1.7814 1.8107 1.8107 1.9340 1.9340 2.2032 2.2032
5.9993 5.9993 6.2681 6.2681 6.3860 6.3860 6.6243 6.6243
7.5145 7.5145 12.5392 12.5392 12.9245 12.9245
k = 0.2237 0.5000-0.0000 ( 2922 PWs) bands (ev):
-19.3466 -19.3466 -17.1838 -17.1838 -16.9817 -16.9817 -16.9277 -16.9277
-4.0988 -4.0988 -3.3110 -3.3110 -3.1654 -3.1654 -0.3729 -0.3729
0.3952 0.3952 0.5436 0.5436 0.9172 0.9172 1.6046 1.6046
1.7856 1.7856 1.7979 1.7979 1.9317 1.9317 2.2271 2.2271
6.0173 6.0173 6.2693 6.2693 6.3963 6.3963 6.6363 6.6363
7.5531 7.5531 12.5540 12.5540 12.9864 12.9864
k = 0.2368 0.5000-0.0000 ( 2918 PWs) bands (ev):
-19.3448 -19.3448 -17.1780 -17.1780 -16.9833 -16.9833 -16.9306 -16.9306
-4.1032 -4.1032 -3.3196 -3.3196 -3.1646 -3.1646 -0.3944 -0.3944
0.3884 0.3884 0.5537 0.5537 0.8862 0.8862 1.5942 1.5942
1.7673 1.7673 1.8072 1.8072 1.9301 1.9301 2.2500 2.2500
6.0354 6.0354 6.2704 6.2704 6.4070 6.4070 6.6472 6.6472
7.5926 7.5926 12.5692 12.5692 13.0503 13.0503
k = 0.2500 0.5000-0.0000 ( 2918 PWs) bands (ev):
-19.3430 -19.3430 -17.1719 -17.1719 -16.9850 -16.9850 -16.9336 -16.9336
-4.1078 -4.1078 -3.3282 -3.3282 -3.1636 -3.1636 -0.4162 -0.4162
0.3816 0.3816 0.5642 0.5642 0.8561 0.8561 1.5836 1.5836
1.7462 1.7462 1.8191 1.8191 1.9293 1.9293 2.2718 2.2718
6.0535 6.0535 6.2715 6.2715 6.4178 6.4178 6.6572 6.6572
7.6328 7.6328 12.5847 12.5847 13.1159 13.1159
k = 0.2632 0.5000-0.0000 ( 2920 PWs) bands (ev):
-19.3412 -19.3412 -17.1657 -17.1657 -16.9866 -16.9866 -16.9369 -16.9369
-4.1124 -4.1124 -3.3369 -3.3369 -3.1624 -3.1624 -0.4381 -0.4381
0.3747 0.3747 0.5750 0.5750 0.8271 0.8271 1.5731 1.5731
1.7247 1.7247 1.8311 1.8311 1.9292 1.9292 2.2925 2.2925
6.0714 6.0714 6.2725 6.2725 6.4289 6.4289 6.6662 6.6662
7.6732 7.6732 12.6003 12.6003 13.1828 13.1828
k = 0.2763 0.5000-0.0000 ( 2922 PWs) bands (ev):
-19.3394 -19.3394 -17.1593 -17.1593 -16.9883 -16.9883 -16.9403 -16.9403
-4.1170 -4.1170 -3.3455 -3.3455 -3.1611 -3.1611 -0.4600 -0.4600
0.3679 0.3679 0.5861 0.5861 0.7992 0.7992 1.5626 1.5626
1.7030 1.7030 1.8431 1.8431 1.9298 1.9298 2.3120 2.3120
6.0891 6.0891 6.2735 6.2735 6.4400 6.4400 6.6743 6.6743
7.7135 7.7135 12.6160 12.6160 13.2508 13.2508
k = 0.2895 0.5000-0.0000 ( 2914 PWs) bands (ev):
-19.3376 -19.3376 -17.1527 -17.1527 -16.9899 -16.9899 -16.9439 -16.9439
-4.1215 -4.1215 -3.3539 -3.3539 -3.1597 -3.1597 -0.4817 -0.4817
0.3612 0.3612 0.5974 0.5974 0.7726 0.7726 1.5522 1.5522
1.6813 1.6813 1.8550 1.8550 1.9310 1.9310 2.3303 2.3303
6.1064 6.1064 6.2746 6.2746 6.4511 6.4511 6.6816 6.6816
7.7533 7.7533 12.6315 12.6315 13.3196 13.3196
k = 0.3026 0.5000-0.0000 ( 2914 PWs) bands (ev):
-19.3359 -19.3359 -17.1461 -17.1461 -16.9915 -16.9915 -16.9476 -16.9476
-4.1260 -4.1260 -3.3622 -3.3622 -3.1582 -3.1582 -0.5030 -0.5030
0.3547 0.3547 0.6089 0.6089 0.7472 0.7472 1.5420 1.5420
1.6596 1.6596 1.8665 1.8665 1.9326 1.9326 2.3475 2.3475
6.1231 6.1231 6.2757 6.2757 6.4621 6.4621 6.6880 6.6880
7.7923 7.7923 12.6469 12.6469 13.3888 13.3888
k = 0.3158 0.5000-0.0000 ( 2918 PWs) bands (ev):
-19.3342 -19.3342 -17.1394 -17.1394 -16.9931 -16.9931 -16.9515 -16.9515
-4.1305 -4.1305 -3.3703 -3.3703 -3.1567 -3.1567 -0.5238 -0.5238
0.3484 0.3484 0.6205 0.6205 0.7231 0.7231 1.5321 1.5321
1.6383 1.6383 1.8778 1.8778 1.9347 1.9347 2.3634 2.3634
6.1391 6.1391 6.2768 6.2768 6.4727 6.4727 6.6938 6.6938
7.8301 7.8301 12.6619 12.6619 13.4581 13.4581
k = 0.3289 0.5000-0.0000 ( 2918 PWs) bands (ev):
-19.3325 -19.3325 -17.1326 -17.1326 -16.9946 -16.9946 -16.9556 -16.9556
-4.1347 -4.1347 -3.3780 -3.3780 -3.1551 -3.1551 -0.5440 -0.5440
0.3424 0.3424 0.6320 0.6320 0.7005 0.7005 1.5225 1.5225
1.6173 1.6173 1.8886 1.8886 1.9371 1.9371 2.3783 2.3783
6.1544 6.1544 6.2780 6.2780 6.4832 6.4832 6.6989 6.6989
7.8664 7.8664 12.6764 12.6764 13.5271 13.5271
k = 0.3421 0.5000-0.0000 ( 2922 PWs) bands (ev):
-19.3310 -19.3310 -17.1258 -17.1258 -16.9960 -16.9960 -16.9598 -16.9598
-4.1389 -4.1389 -3.3853 -3.3853 -3.1536 -3.1536 -0.5633 -0.5633
0.3366 0.3366 0.6434 0.6434 0.6794 0.6794 1.5134 1.5134
1.5969 1.5969 1.8989 1.8989 1.9397 1.9397 2.3919 2.3919
6.1687 6.1687 6.2794 6.2794 6.4932 6.4932 6.7034 6.7034
7.9011 7.9011 12.6903 12.6903 13.5955 13.5955
k = 0.3553 0.5000-0.0000 ( 2922 PWs) bands (ev):
-19.3295 -19.3295 -17.1189 -17.1189 -16.9974 -16.9974 -16.9642 -16.9642
-4.1428 -4.1428 -3.3923 -3.3923 -3.1520 -3.1520 -0.5817 -0.5817
0.3313 0.3313 0.6539 0.6539 0.6606 0.6606 1.5047 1.5047
1.5773 1.5773 1.9086 1.9086 1.9425 1.9425 2.4044 2.4044
6.1819 6.1819 6.2809 6.2809 6.5028 6.5028 6.7074 6.7074
7.9337 7.9337 12.7034 12.7034 13.6628 13.6628
k = 0.3684 0.5000-0.0000 ( 2920 PWs) bands (ev):
-19.3281 -19.3281 -17.1121 -17.1121 -16.9986 -16.9986 -16.9687 -16.9687
-4.1465 -4.1465 -3.3988 -3.3988 -3.1505 -3.1505 -0.5990 -0.5990
0.3263 0.3263 0.6413 0.6413 0.6661 0.6661 1.4966 1.4966
1.5585 1.5585 1.9176 1.9176 1.9454 1.9454 2.4158 2.4158
6.1940 6.1940 6.2827 6.2827 6.5119 6.5119 6.7109 6.7109
7.9642 7.9642 12.7158 12.7158 13.7285 13.7285
k = 0.3816 0.5000-0.0000 ( 2924 PWs) bands (ev):
-19.3268 -19.3268 -17.1054 -17.1054 -16.9998 -16.9998 -16.9732 -16.9732
-4.1500 -4.1500 -3.4048 -3.4048 -3.1491 -3.1491 -0.6150 -0.6150
0.3217 0.3217 0.6249 0.6249 0.6766 0.6766 1.4890 1.4890
1.5407 1.5407 1.9260 1.9260 1.9483 1.9483 2.4260 2.4260
6.2047 6.2047 6.2847 6.2847 6.5203 6.5203 6.7139 6.7139
7.9922 7.9922 12.7272 12.7272 13.7921 13.7921
k = 0.3947 0.5000-0.0000 ( 2924 PWs) bands (ev):
-19.3256 -19.3256 -17.0989 -17.0989 -17.0009 -17.0009 -16.9779 -16.9779
-4.1532 -4.1532 -3.4103 -3.4103 -3.1478 -3.1478 -0.6297 -0.6297
0.3176 0.3176 0.6100 0.6100 0.6866 0.6866 1.4821 1.4821
1.5241 1.5241 1.9336 1.9336 1.9512 1.9512 2.4351 2.4351
6.2141 6.2141 6.2869 6.2869 6.5281 6.5281 6.7165 6.7165
8.0178 8.0178 12.7376 12.7376 13.8528 13.8528
k = 0.4079 0.5000-0.0000 ( 2924 PWs) bands (ev):
-19.3245 -19.3245 -17.0924 -17.0924 -17.0019 -17.0019 -16.9825 -16.9825
-4.1560 -4.1560 -3.4152 -3.4152 -3.1465 -3.1465 -0.6429 -0.6429
0.3139 0.3139 0.5969 0.5969 0.6959 0.6959 1.4759 1.4759
1.5089 1.5089 1.9403 1.9403 1.9539 1.9539 2.4431 2.4431
6.2220 6.2220 6.2894 6.2894 6.5352 6.5352 6.7188 6.7188
8.0406 8.0406 12.7470 12.7470 13.9101 13.9101
k = 0.4211 0.5000-0.0000 ( 2924 PWs) bands (ev):
-19.3236 -19.3236 -17.0863 -17.0863 -17.0028 -17.0028 -16.9871 -16.9871
-4.1586 -4.1586 -3.4195 -3.4195 -3.1454 -3.1454 -0.6546 -0.6546
0.3107 0.3107 0.5854 0.5854 0.7044 0.7044 1.4704 1.4704
1.4953 1.4953 1.9462 1.9462 1.9565 1.9565 2.4500 2.4500
6.2285 6.2285 6.2921 6.2921 6.5414 6.5414 6.7207 6.7207
8.0607 8.0607 12.7552 12.7552 13.9629 13.9629
k = 0.4342 0.5000-0.0000 ( 2924 PWs) bands (ev):
-19.3228 -19.3228 -17.0805 -17.0805 -17.0036 -17.0036 -16.9915 -16.9915
-4.1607 -4.1607 -3.4232 -3.4232 -3.1445 -3.1445 -0.6647 -0.6647
0.3080 0.3080 0.5756 0.5756 0.7119 0.7119 1.4657 1.4657
1.4835 1.4835 1.9510 1.9510 1.9590 1.9590 2.4559 2.4559
6.2337 6.2337 6.2948 6.2948 6.5467 6.5467 6.7223 6.7223
8.0778 8.0778 12.7622 12.7622 14.0105 14.0105
k = 0.4474 0.5000-0.0000 ( 2924 PWs) bands (ev):
-19.3221 -19.3221 -17.0752 -17.0752 -17.0042 -17.0042 -16.9957 -16.9957
-4.1625 -4.1625 -3.4262 -3.4262 -3.1437 -3.1437 -0.6730 -0.6730
0.3057 0.3057 0.5676 0.5676 0.7183 0.7183 1.4617 1.4617
1.4735 1.4735 1.9549 1.9549 1.9612 1.9612 2.4606 2.4606
6.2376 6.2376 6.2973 6.2973 6.5511 6.5511 6.7235 6.7235
8.0919 8.0919 12.7680 12.7680 14.0516 14.0516
k = 0.4605 0.5000-0.0000 ( 2928 PWs) bands (ev):
-19.3216 -19.3216 -17.0706 -17.0706 -17.0048 -17.0048 -16.9993 -16.9993
-4.1640 -4.1640 -3.4286 -3.4286 -3.1430 -3.1430 -0.6795 -0.6795
0.3040 0.3040 0.5614 0.5614 0.7234 0.7234 1.4585 1.4585
1.4657 1.4657 1.9576 1.9576 1.9632 1.9632 2.4643 2.4643
6.2404 6.2404 6.2995 6.2995 6.5546 6.5546 6.7245 6.7245
8.1029 8.1029 12.7725 12.7725 14.0851 14.0851
k = 0.4737 0.5000-0.0000 ( 2934 PWs) bands (ev):
-19.3212 -19.3212 -17.0670 -17.0670 -17.0053 -17.0053 -17.0021 -17.0021
-4.1650 -4.1650 -3.4303 -3.4303 -3.1425 -3.1425 -0.6842 -0.6842
0.3027 0.3027 0.5569 0.5569 0.7271 0.7271 1.4560 1.4560
1.4602 1.4602 1.9594 1.9594 1.9649 1.9649 2.4669 2.4669
6.2423 6.2423 6.3012 6.3012 6.5572 6.5572 6.7251 6.7251
8.1108 8.1108 12.7758 12.7758 14.1101 14.1101
k = 0.4868 0.5000-0.0000 ( 2950 PWs) bands (ev):
-19.3210 -19.3210 -17.0647 -17.0647 -17.0059 -17.0059 -17.0037 -17.0037
-4.1656 -4.1656 -3.4314 -3.4314 -3.1423 -3.1423 -0.6871 -0.6871
0.3019 0.3019 0.5542 0.5542 0.7293 0.7293 1.4542 1.4542
1.4572 1.4572 1.9604 1.9604 1.9660 1.9660 2.4685 2.4685
6.2433 6.2433 6.3021 6.3021 6.5586 6.5586 6.7255 6.7255
8.1156 8.1156 12.7777 12.7777 14.1254 14.1254
k = 0.5000 0.5000-0.0000 ( 2968 PWs) bands (ev):
-19.3209 -19.3209 -17.0638 -17.0638 -17.0063 -17.0063 -17.0042 -17.0042
-4.1658 -4.1658 -3.4317 -3.4317 -3.1422 -3.1422 -0.6880 -0.6880
0.3017 0.3017 0.5532 0.5532 0.7301 0.7301 1.4534 1.4534
1.4564 1.4564 1.9607 1.9607 1.9663 1.9663 2.4690 2.4690
6.2436 6.2436 6.3024 6.3024 6.5591 6.5591 6.7256 6.7256
8.1171 8.1171 12.7784 12.7784 14.1306 14.1306
k = 0.5000 0.5000-0.0000 ( 2968 PWs) bands (ev):
-19.3209 -19.3209 -17.0638 -17.0638 -17.0063 -17.0063 -17.0042 -17.0042
-4.1658 -4.1658 -3.4317 -3.4317 -3.1422 -3.1422 -0.6880 -0.6880
0.3017 0.3017 0.5532 0.5532 0.7301 0.7301 1.4534 1.4534
1.4564 1.4564 1.9607 1.9607 1.9663 1.9663 2.4690 2.4690
6.2436 6.2436 6.3024 6.3024 6.5591 6.5591 6.7256 6.7256
8.1171 8.1171 12.7784 12.7784 14.1306 14.1306
k = 0.4907 0.4907-0.0000 ( 2950 PWs) bands (ev):
-19.3210 -19.3210 -17.0646 -17.0646 -17.0059 -17.0059 -17.0037 -17.0037
-4.1656 -4.1656 -3.4314 -3.4314 -3.1423 -3.1423 -0.6871 -0.6871
0.3019 0.3019 0.5542 0.5542 0.7294 0.7294 1.4541 1.4541
1.4572 1.4572 1.9604 1.9604 1.9660 1.9660 2.4685 2.4685
6.2433 6.2433 6.3021 6.3021 6.5586 6.5586 6.7255 6.7255
8.1156 8.1156 12.7777 12.7777 14.1255 14.1255
k = 0.4815 0.4815-0.0000 ( 2928 PWs) bands (ev):
-19.3212 -19.3212 -17.0670 -17.0670 -17.0053 -17.0053 -17.0022 -17.0022
-4.1650 -4.1650 -3.4303 -3.4303 -3.1425 -3.1425 -0.6842 -0.6842
0.3027 0.3027 0.5568 0.5568 0.7271 0.7271 1.4559 1.4559
1.4603 1.4603 1.9591 1.9591 1.9653 1.9653 2.4670 2.4670
6.2424 6.2424 6.3011 6.3011 6.5571 6.5571 6.7252 6.7252
8.1110 8.1110 12.7757 12.7757 14.1103 14.1103
k = 0.4722 0.4722-0.0000 ( 2928 PWs) bands (ev):
-19.3216 -19.3216 -17.0706 -17.0706 -17.0047 -17.0047 -16.9994 -16.9994
-4.1640 -4.1640 -3.4287 -3.4287 -3.1430 -3.1430 -0.6796 -0.6796
0.3039 0.3039 0.5613 0.5613 0.7234 0.7234 1.4582 1.4582
1.4660 1.4660 1.9562 1.9562 1.9648 1.9648 2.4644 2.4644
6.2406 6.2406 6.2993 6.2993 6.5546 6.5546 6.7245 6.7245
8.1031 8.1031 12.7720 12.7720 14.0857 14.0857
k = 0.4630 0.4630-0.0000 ( 2916 PWs) bands (ev):
-19.3221 -19.3221 -17.0751 -17.0751 -17.0040 -17.0040 -16.9959 -16.9959
-4.1626 -4.1626 -3.4263 -3.4263 -3.1437 -3.1437 -0.6730 -0.6730
0.3057 0.3057 0.5675 0.5675 0.7184 0.7184 1.4610 1.4610
1.4740 1.4740 1.9516 1.9516 1.9647 1.9647 2.4608 2.4608
6.2382 6.2382 6.2968 6.2968 6.5512 6.5512 6.7236 6.7236
8.0922 8.0922 12.7661 12.7661 14.0530 14.0530
k = 0.4537 0.4537-0.0000 ( 2924 PWs) bands (ev):
-19.3228 -19.3228 -17.0803 -17.0803 -17.0033 -17.0033 -16.9919 -16.9919
-4.1608 -4.1608 -3.4233 -3.4233 -3.1445 -3.1445 -0.6647 -0.6647
0.3079 0.3079 0.5755 0.5755 0.7122 0.7122 1.4646 1.4646
1.4842 1.4842 1.9455 1.9455 1.9649 1.9649 2.4562 2.4562
6.2350 6.2350 6.2935 6.2935 6.5466 6.5466 6.7224 6.7224
8.0782 8.0782 12.7576 12.7576 14.0135 14.0135
k = 0.4444 0.4444-0.0000 ( 2916 PWs) bands (ev):
-19.3236 -19.3236 -17.0860 -17.0860 -17.0024 -17.0024 -16.9876 -16.9876
-4.1587 -4.1587 -3.4197 -3.4197 -3.1455 -3.1455 -0.6546 -0.6546
0.3106 0.3106 0.5853 0.5853 0.7048 0.7048 1.4689 1.4689
1.4964 1.4964 1.9381 1.9381 1.9653 1.9653 2.4507 2.4507
6.2311 6.2311 6.2896 6.2896 6.5412 6.5412 6.7209 6.7209
8.0614 8.0614 12.7455 12.7455 13.9692 13.9692
k = 0.4352 0.4352-0.0000 ( 2916 PWs) bands (ev):
-19.3246 -19.3246 -17.0921 -17.0921 -17.0014 -17.0014 -16.9833 -16.9833
-4.1563 -4.1563 -3.4155 -3.4155 -3.1466 -3.1466 -0.6427 -0.6427
0.3137 0.3137 0.5969 0.5969 0.6966 0.6966 1.4740 1.4740
1.5103 1.5103 1.9296 1.9296 1.9659 1.9659 2.4443 2.4443
6.2265 6.2265 6.2849 6.2849 6.5347 6.5347 6.7191 6.7191
8.0416 8.0416 12.7288 12.7288 13.9220 13.9220
k = 0.4259 0.4259-0.0000 ( 2924 PWs) bands (ev):
-19.3257 -19.3257 -17.0984 -17.0984 -17.0002 -17.0002 -16.9789 -16.9789
-4.1536 -4.1536 -3.4108 -3.4108 -3.1479 -3.1479 -0.6292 -0.6292
0.3172 0.3172 0.6103 0.6103 0.6876 0.6876 1.4798 1.4798
1.5259 1.5259 1.9200 1.9200 1.9666 1.9666 2.4370 2.4370
6.2212 6.2212 6.2795 6.2795 6.5272 6.5272 6.7171 6.7171
8.0190 8.0190 12.7066 12.7066 13.8739 13.8739
k = 0.4167 0.4167-0.0000 ( 2928 PWs) bands (ev):
-19.3270 -19.3270 -17.1048 -17.1048 -16.9989 -16.9989 -16.9745 -16.9745
-4.1507 -4.1507 -3.4056 -3.4056 -3.1494 -3.1494 -0.6139 -0.6139
0.3211 0.3211 0.6254 0.6254 0.6780 0.6780 1.4863 1.4863
1.5428 1.5428 1.9096 1.9096 1.9674 1.9674 2.4289 2.4289
6.2153 6.2153 6.2734 6.2734 6.5188 6.5188 6.7147 6.7147
7.9938 7.9938 12.6776 12.6776 13.8270 13.8270
k = 0.4074 0.4074-0.0000 ( 2926 PWs) bands (ev):
-19.3285 -19.3285 -17.1113 -17.1113 -16.9975 -16.9975 -16.9703 -16.9703
-4.1475 -4.1475 -3.4000 -3.4000 -3.1510 -3.1510 -0.5971 -0.5971
0.3254 0.3254 0.6422 0.6422 0.6680 0.6680 1.4936 1.4936
1.5611 1.5611 1.8986 1.8986 1.9684 1.9684 2.4200 2.4200
6.2087 6.2087 6.2667 6.2667 6.5095 6.5095 6.7121 6.7121
7.9661 7.9661 12.6408 12.6408 13.7828 13.7828
k = 0.3981 0.3981-0.0000 ( 2924 PWs) bands (ev):
-19.3301 -19.3301 -17.1179 -17.1179 -16.9959 -16.9959 -16.9662 -16.9662
-4.1442 -4.1442 -3.3939 -3.3939 -3.1527 -3.1527 -0.5787 -0.5787
0.3301 0.3301 0.6557 0.6557 0.6630 0.6630 1.5015 1.5015
1.5804 1.5804 1.8870 1.8870 1.9695 1.9695 2.4104 2.4104
6.2016 6.2016 6.2594 6.2594 6.4993 6.4993 6.7092 6.7092
7.9359 7.9359 12.5955 12.5955 13.7429 13.7429
k = 0.3889 0.3889-0.0000 ( 2924 PWs) bands (ev):
-19.3318 -19.3318 -17.1245 -17.1245 -16.9942 -16.9942 -16.9622 -16.9622
-4.1407 -4.1407 -3.3875 -3.3875 -3.1546 -3.1546 -0.5589 -0.5589
0.3351 0.3351 0.6464 0.6464 0.6823 0.6823 1.5101 1.5101
1.6006 1.6006 1.8751 1.8751 1.9708 1.9708 2.4001 2.4001
6.1938 6.1938 6.2515 6.2515 6.4881 6.4881 6.7059 6.7059
7.9035 7.9035 12.5413 12.5413 13.7080 13.7080
k = 0.3796 0.3796-0.0000 ( 2926 PWs) bands (ev):
-19.3337 -19.3337 -17.1310 -17.1310 -16.9924 -16.9924 -16.9584 -16.9584
-4.1371 -4.1371 -3.3809 -3.3809 -3.1565 -3.1565 -0.5377 -0.5377
0.3404 0.3404 0.6358 0.6358 0.7046 0.7046 1.5194 1.5194
1.6216 1.6216 1.8631 1.8631 1.9723 1.9723 2.3893 2.3893
6.1854 6.1854 6.2429 6.2429 6.4760 6.4760 6.7024 6.7024
7.8689 7.8689 12.4781 12.4781 13.6785 13.6785
k = 0.3704 0.3704-0.0000 ( 2926 PWs) bands (ev):
-19.3358 -19.3358 -17.1375 -17.1375 -16.9905 -16.9905 -16.9548 -16.9548
-4.1335 -4.1335 -3.3741 -3.3741 -3.1585 -3.1585 -0.5151 -0.5151
0.3459 0.3459 0.6251 0.6251 0.7288 0.7288 1.5293 1.5293
1.6432 1.6432 1.8510 1.8510 1.9739 1.9739 2.3780 2.3780
6.1764 6.1764 6.2337 6.2337 6.4631 6.4631 6.6985 6.6985
7.8323 7.8323 12.4065 12.4065 13.6539 13.6539
k = 0.3611 0.3611-0.0000 ( 2918 PWs) bands (ev):
-19.3380 -19.3380 -17.1439 -17.1439 -16.9884 -16.9884 -16.9514 -16.9514
-4.1299 -4.1299 -3.3672 -3.3672 -3.1606 -3.1606 -0.4913 -0.4913
0.3517 0.3517 0.6146 0.6146 0.7549 0.7549 1.5398 1.5398
1.6654 1.6654 1.8392 1.8392 1.9757 1.9757 2.3663 2.3663
6.1669 6.1669 6.2241 6.2241 6.4495 6.4495 6.6944 6.6944
7.7940 7.7940 12.3271 12.3271 13.6336 13.6336
k = 0.3519 0.3519-0.0000 ( 2918 PWs) bands (ev):
-19.3403 -19.3403 -17.1502 -17.1502 -16.9862 -16.9862 -16.9482 -16.9482
-4.1263 -4.1263 -3.3602 -3.3602 -3.1628 -3.1628 -0.4663 -0.4663
0.3577 0.3577 0.6042 0.6042 0.7828 0.7828 1.5509 1.5509
1.6879 1.6879 1.8277 1.8277 1.9777 1.9777 2.3543 2.3543
6.1569 6.1569 6.2138 6.2138 6.4350 6.4350 6.6898 6.6898
7.7539 7.7539 12.2410 12.2410 13.6167 13.6167
k = 0.3426 0.3426-0.0000 ( 2914 PWs) bands (ev):
-19.3428 -19.3428 -17.1563 -17.1563 -16.9840 -16.9840 -16.9451 -16.9451
-4.1228 -4.1228 -3.3533 -3.3533 -3.1650 -3.1650 -0.4402 -0.4402
0.3638 0.3638 0.5941 0.5941 0.8124 0.8124 1.5625 1.5625
1.7108 1.7108 1.8169 1.8169 1.9798 1.9798 2.3420 2.3420
6.1464 6.1464 6.2031 6.2031 6.4198 6.4198 6.6850 6.6850
7.7122 7.7122 12.1492 12.1492 13.6019 13.6019
k = 0.3333 0.3333-0.0000 ( 2918 PWs) bands (ev):
-19.3454 -19.3454 -17.1623 -17.1623 -16.9816 -16.9816 -16.9423 -16.9423
-4.1193 -4.1193 -3.3465 -3.3465 -3.1673 -3.1673 -0.4130 -0.4130
0.3700 0.3700 0.5843 0.5843 0.8438 0.8438 1.5747 1.5747
1.7338 1.7338 1.8067 1.8067 1.9822 1.9822 2.3295 2.3295
6.1354 6.1354 6.1919 6.1919 6.4038 6.4038 6.6797 6.6797
7.6692 7.6692 12.0527 12.0527 13.5883 13.5883
k = 0.3241 0.3241-0.0000 ( 2918 PWs) bands (ev):
-19.3482 -19.3482 -17.1682 -17.1682 -16.9792 -16.9792 -16.9397 -16.9397
-4.1160 -4.1160 -3.3398 -3.3398 -3.1696 -3.1696 -0.3850 -0.3850
0.3763 0.3763 0.5748 0.5748 0.8770 0.8770 1.5874 1.5874
1.7569 1.7569 1.7974 1.7974 1.9848 1.9848 2.3170 2.3170
6.1240 6.1240 6.1803 6.1803 6.3872 6.3872 6.6742 6.6742
7.6249 7.6249 11.9523 11.9523 13.5747 13.5747
k = 0.3148 0.3148-0.0000 ( 2930 PWs) bands (ev):
-19.3510 -19.3510 -17.1738 -17.1738 -16.9767 -16.9767 -16.9372 -16.9372
-4.1129 -4.1129 -3.3335 -3.3335 -3.1720 -3.1720 -0.3561 -0.3561
0.3827 0.3827 0.5657 0.5657 0.9119 0.9119 1.6004 1.6004
1.7800 1.7800 1.7891 1.7891 1.9875 1.9875 2.3045 2.3045
6.1121 6.1121 6.1682 6.1682 6.3700 6.3700 6.6682 6.6682
7.5795 7.5795 11.8490 11.8490 13.5602 13.5602
k = 0.3056 0.3056-0.0000 ( 2934 PWs) bands (ev):
-19.3540 -19.3540 -17.1793 -17.1793 -16.9742 -16.9742 -16.9349 -16.9349
-4.1099 -4.1099 -3.3275 -3.3275 -3.1744 -3.1744 -0.3264 -0.3264
0.3890 0.3890 0.5571 0.5571 0.9485 0.9485 1.6139 1.6139
1.7819 1.7819 1.8030 1.8030 1.9904 1.9904 2.2921 2.2921
6.0999 6.0999 6.1557 6.1557 6.3522 6.3522 6.6620 6.6620
7.5332 7.5332 11.7434 11.7434 13.5440 13.5440
k = 0.2963 0.2963-0.0000 ( 2932 PWs) bands (ev):
-19.3571 -19.3571 -17.1846 -17.1846 -16.9715 -16.9715 -16.9328 -16.9328
-4.1071 -4.1071 -3.3218 -3.3218 -3.1768 -3.1768 -0.2960 -0.2960
0.3952 0.3952 0.5489 0.5489 0.9867 0.9867 1.6278 1.6278
1.7761 1.7761 1.8259 1.8259 1.9935 1.9935 2.2800 2.2800
6.0874 6.0874 6.1429 6.1429 6.3338 6.3338 6.6554 6.6554
7.4862 7.4862 11.6362 11.6362 13.5257 13.5257
k = 0.2870 0.2870-0.0000 ( 2934 PWs) bands (ev):
-19.3604 -19.3604 -17.1897 -17.1897 -16.9689 -16.9689 -16.9309 -16.9309
-4.1046 -4.1046 -3.3166 -3.3166 -3.1793 -3.1793 -0.2650 -0.2650
0.4014 0.4014 0.5412 0.5412 1.0264 1.0264 1.6420 1.6420
1.7716 1.7716 1.8485 1.8485 1.9967 1.9967 2.2682 2.2682
6.0746 6.0746 6.1297 6.1297 6.3150 6.3150 6.6484 6.6484
7.4385 7.4385 11.5279 11.5279 13.5048 13.5048
k = 0.2778 0.2778-0.0000 ( 2926 PWs) bands (ev):
-19.3637 -19.3637 -17.1946 -17.1946 -16.9662 -16.9662 -16.9291 -16.9291
-4.1023 -4.1023 -3.3119 -3.3119 -3.1819 -3.1819 -0.2335 -0.2335
0.4074 0.4074 0.5340 0.5340 1.0677 1.0677 1.6565 1.6565
1.7686 1.7686 1.8709 1.8709 2.0000 2.0000 2.2569 2.2569
6.0616 6.0616 6.1163 6.1163 6.2958 6.2958 6.6411 6.6411
7.3905 7.3905 11.4190 11.4190 13.4811 13.4811
k = 0.2685 0.2685-0.0000 ( 2923 PWs) bands (ev):
-19.3671 -19.3671 -17.1993 -17.1993 -16.9634 -16.9634 -16.9274 -16.9274
-4.1003 -4.1003 -3.3076 -3.3076 -3.1846 -3.1846 -0.2015 -0.2015
0.4133 0.4133 0.5273 0.5273 1.1103 1.1103 1.6713 1.6713
1.7672 1.7672 1.8928 1.8928 2.0034 2.0034 2.2461 2.2461
6.0484 6.0484 6.1026 6.1026 6.2761 6.2761 6.6335 6.6335
7.3421 7.3421 11.3099 11.3099 13.4545 13.4545
k = 0.2593 0.2593-0.0000 ( 2923 PWs) bands (ev):
-19.3705 -19.3705 -17.2037 -17.2037 -16.9607 -16.9607 -16.9259 -16.9259
-4.0986 -4.0986 -3.3038 -3.3038 -3.1873 -3.1873 -0.1691 -0.1691
0.4190 0.4190 0.5211 0.5211 1.1542 1.1542 1.6862 1.6862
1.7673 1.7673 1.9142 1.9142 2.0069 2.0069 2.2361 2.2361
6.0350 6.0350 6.0887 6.0887 6.2562 6.2562 6.6255 6.6255
7.2935 7.2935 11.2009 11.2009 13.4251 13.4251
k = 0.2500 0.2500-0.0000 ( 2929 PWs) bands (ev):
-19.3741 -19.3741 -17.2079 -17.2079 -16.9579 -16.9579 -16.9245 -16.9245
-4.0971 -4.0971 -3.3005 -3.3005 -3.1903 -3.1903 -0.1365 -0.1365
0.4244 0.4244 0.5154 0.5154 1.1993 1.1993 1.7013 1.7013
1.7690 1.7690 1.9351 1.9351 2.0104 2.0104 2.2269 2.2269
6.0215 6.0215 6.0746 6.0746 6.2359 6.2359 6.6172 6.6172
7.2448 7.2448 11.0925 11.0925 13.3930 13.3930
k = 0.2407 0.2407-0.0000 ( 2923 PWs) bands (ev):
-19.3777 -19.3777 -17.2120 -17.2120 -16.9551 -16.9551 -16.9232 -16.9232
-4.0959 -4.0959 -3.2977 -3.2977 -3.1933 -3.1933 -0.1037 -0.1037
0.4295 0.4295 0.5102 0.5102 1.2454 1.2454 1.7165 1.7165
1.7724 1.7724 1.9551 1.9551 2.0139 2.0139 2.2187 2.2187
6.0079 6.0079 6.0604 6.0604 6.2155 6.2155 6.6087 6.6087
7.1963 7.1963 10.9849 10.9849 13.3585 13.3585
k = 0.2315 0.2315-0.0000 ( 2923 PWs) bands (ev):
-19.3813 -19.3813 -17.2158 -17.2158 -16.9523 -16.9523 -16.9220 -16.9220
-4.0950 -4.0950 -3.2953 -3.2953 -3.1966 -3.1966 -0.0707 -0.0707
0.4343 0.4343 0.5056 0.5056 1.2924 1.2924 1.7318 1.7318
1.7775 1.7775 1.9740 1.9740 2.0178 2.0178 2.2116 2.2116
5.9943 5.9943 6.0461 6.0461 6.1950 6.1950 6.5998 6.5998
7.1481 7.1481 10.8784 10.8784 13.3219 13.3219
k = 0.2222 0.2222-0.0000 ( 2917 PWs) bands (ev):
-19.3849 -19.3849 -17.2194 -17.2194 -16.9496 -16.9496 -16.9210 -16.9210
-4.0944 -4.0944 -3.2934 -3.2934 -3.2001 -3.2001 -0.0378 -0.0378
0.4388 0.4388 0.5014 0.5014 1.3400 1.3400 1.7470 1.7470
1.7843 1.7843 1.9910 1.9910 2.0227 2.0227 2.2057 2.2057
5.9807 5.9807 6.0316 6.0316 6.1744 6.1744 6.5907 6.5907
7.1004 7.1004 10.7732 10.7732 13.2834 13.2834
k = 0.2130 0.2130-0.0000 ( 2919 PWs) bands (ev):
-19.3886 -19.3886 -17.2228 -17.2228 -16.9468 -16.9468 -16.9199 -16.9199
-4.0941 -4.0941 -3.2918 -3.2918 -3.2038 -3.2038 -0.0049 -0.0049
0.4429 0.4429 0.4977 0.4977 1.3881 1.3881 1.7621 1.7621
1.7926 1.7926 2.0038 2.0038 2.0305 2.0305 2.2012 2.2012
5.9672 5.9672 6.0171 6.0171 6.1538 6.1538 6.5814 6.5814
7.0532 7.0532 10.6697 10.6697 13.2434 13.2434
k = 0.2037 0.2037-0.0000 ( 2927 PWs) bands (ev):
-19.3922 -19.3922 -17.2259 -17.2259 -16.9442 -16.9442 -16.9190 -16.9190
-4.0940 -4.0940 -3.2906 -3.2906 -3.2078 -3.2078 0.0278 0.0278
0.4466 0.4466 0.4945 0.4945 1.4364 1.4364 1.7772 1.7772
1.8026 1.8026 2.0108 2.0108 2.0427 2.0427 2.1982 2.1982
5.9537 5.9537 6.0026 6.0026 6.1332 6.1332 6.5718 6.5718
7.0066 7.0066 10.5681 10.5681 13.2023 13.2023
k = 0.1944 0.1944-0.0000 ( 2927 PWs) bands (ev):
-19.3959 -19.3959 -17.2289 -17.2289 -16.9415 -16.9415 -16.9182 -16.9182
-4.0941 -4.0941 -3.2896 -3.2896 -3.2120 -3.2120 0.0602 0.0602
0.4499 0.4499 0.4919 0.4919 1.4846 1.4846 1.7921 1.7921
1.8142 1.8142 2.0139 2.0139 2.0576 2.0576 2.1968 2.1968
5.9404 5.9404 5.9882 5.9882 6.1129 6.1129 6.5621 6.5621
6.9609 6.9609 10.4685 10.4685 13.1604 13.1604
k = 0.1852 0.1852-0.0000 ( 2925 PWs) bands (ev):
-19.3994 -19.3994 -17.2317 -17.2317 -16.9389 -16.9389 -16.9174 -16.9174
-4.0945 -4.0945 -3.2890 -3.2890 -3.2164 -3.2164 0.0922 0.0922
0.4527 0.4527 0.4897 0.4897 1.5324 1.5324 1.8070 1.8070
1.8274 1.8274 2.0150 2.0150 2.0731 2.0731 2.1969 2.1969
5.9274 5.9274 5.9738 5.9738 6.0929 6.0929 6.5523 6.5523
6.9162 6.9162 10.3713 10.3713 13.1180 13.1180
k = 0.1759 0.1759-0.0000 ( 2917 PWs) bands (ev):
-19.4030 -19.4030 -17.2343 -17.2343 -16.9364 -16.9364 -16.9166 -16.9166
-4.0952 -4.0952 -3.2885 -3.2885 -3.2211 -3.2211 0.1237 0.1237
0.4551 0.4551 0.4881 0.4881 1.5794 1.5794 1.8217 1.8217
1.8420 1.8420 2.0150 2.0150 2.0884 2.0884 2.1984 2.1984
5.9146 5.9146 5.9594 5.9594 6.0732 6.0732 6.5424 6.5424
6.8726 6.8726 10.2767 10.2767 13.0755 13.0755
k = 0.1667 0.1667-0.0000 ( 2911 PWs) bands (ev):
-19.4065 -19.4065 -17.2368 -17.2368 -16.9339 -16.9339 -16.9159 -16.9159
-4.0960 -4.0960 -3.2883 -3.2883 -3.2259 -3.2259 0.1545 0.1545
0.4570 0.4570 0.4869 0.4869 1.6252 1.6252 1.8362 1.8362
1.8583 1.8583 2.0141 2.0141 2.1031 2.1031 2.2014 2.2014
5.9021 5.9021 5.9452 5.9452 6.0540 6.0540 6.5324 6.5324
6.8303 6.8303 10.1850 10.1850 13.0331 13.0331
k = 0.1574 0.1574-0.0000 ( 2923 PWs) bands (ev):
-19.4099 -19.4099 -17.2391 -17.2391 -16.9315 -16.9315 -16.9153 -16.9153
-4.0970 -4.0970 -3.2882 -3.2882 -3.2309 -3.2309 0.1846 0.1846
0.4584 0.4584 0.4862 0.4862 1.6690 1.6690 1.8505 1.8505
1.8765 1.8765 2.0127 2.0127 2.1171 2.1171 2.2055 2.2055
5.8899 5.8899 5.9311 5.9311 6.0353 6.0353 6.5224 6.5224
6.7892 6.7892 10.0963 10.0963 12.9911 12.9911
k = 0.1481 0.1481-0.0000 ( 2925 PWs) bands (ev):
-19.4132 -19.4132 -17.2412 -17.2412 -16.9292 -16.9292 -16.9147 -16.9147
-4.0981 -4.0981 -3.2882 -3.2882 -3.2360 -3.2360 0.2138 0.2138
0.4595 0.4595 0.4859 0.4859 1.7105 1.7105 1.8642 1.8642
1.8968 1.8968 2.0110 2.0110 2.1304 2.1304 2.2107 2.2107
5.8781 5.8781 5.9172 5.9172 6.0173 6.0173 6.5124 6.5124
6.7497 6.7497 10.0110 10.0110 12.9500 12.9500
k = 0.1389 0.1389-0.0000 ( 2925 PWs) bands (ev):
-19.4164 -19.4164 -17.2431 -17.2431 -16.9270 -16.9270 -16.9141 -16.9141
-4.0994 -4.0994 -3.2883 -3.2883 -3.2412 -3.2412 0.2419 0.2419
0.4603 0.4603 0.4859 0.4859 1.7488 1.7488 1.8775 1.8775
1.9193 1.9193 2.0090 2.0090 2.1431 2.1431 2.2167 2.2167
5.8668 5.8668 5.9036 5.9036 6.0000 6.0000 6.5026 6.5026
6.7119 6.7119 9.9292 9.9292 12.9098 12.9098
k = 0.1296 0.1296-0.0000 ( 2919 PWs) bands (ev):
-19.4194 -19.4194 -17.2449 -17.2449 -16.9249 -16.9249 -16.9136 -16.9136
-4.1008 -4.1008 -3.2885 -3.2885 -3.2464 -3.2464 0.2688 0.2688
0.4609 0.4609 0.4862 0.4862 1.7834 1.7834 1.8901 1.8901
1.9442 1.9442 2.0071 2.0071 2.1551 2.1551 2.2234 2.2234
5.8560 5.8560 5.8902 5.8902 5.9836 5.9836 6.4929 6.4929
6.6758 6.6758 9.8512 9.8512 12.8709 12.8709
k = 0.1204 0.1204-0.0000 ( 2919 PWs) bands (ev):
-19.4223 -19.4223 -17.2465 -17.2465 -16.9229 -16.9229 -16.9131 -16.9131
-4.1022 -4.1022 -3.2887 -3.2887 -3.2515 -3.2515 0.2944 0.2944
0.4613 0.4613 0.4866 0.4866 1.8142 1.8142 1.9021 1.9021
1.9704 1.9704 2.0060 2.0060 2.1666 2.1666 2.2304 2.2304
5.8457 5.8457 5.8770 5.8770 5.9682 5.9682 6.4835 6.4835
6.6416 6.6416 9.7772 9.7772 12.8336 12.8336
k = 0.1111 0.1111-0.0000 ( 2919 PWs) bands (ev):
-19.4251 -19.4251 -17.2480 -17.2480 -16.9210 -16.9210 -16.9126 -16.9126
-4.1037 -4.1037 -3.2890 -3.2890 -3.2566 -3.2566 0.3185 0.3185
0.4618 0.4618 0.4871 0.4871 1.8411 1.8411 1.9134 1.9134
1.9925 1.9925 2.0105 2.0105 2.1776 2.1776 2.2376 2.2376
5.8359 5.8359 5.8643 5.8643 5.9537 5.9537 6.4744 6.4744
6.6093 6.6093 9.7075 9.7075 12.7980 12.7980
k = 0.1019 0.1019-0.0000 ( 2921 PWs) bands (ev):
-19.4277 -19.4277 -17.2494 -17.2494 -16.9193 -16.9193 -16.9122 -16.9122
-4.1052 -4.1052 -3.2893 -3.2893 -3.2615 -3.2615 0.3410 0.3410
0.4623 0.4623 0.4876 0.4876 1.8645 1.8645 1.9239 1.9239
1.9968 1.9968 2.0336 2.0336 2.1884 2.1884 2.2447 2.2447
5.8267 5.8267 5.8520 5.8520 5.9404 5.9404 6.4656 6.4656
6.5792 6.5792 9.6424 9.6424 12.7644 12.7644
k = 0.0926 0.0926-0.0000 ( 2915 PWs) bands (ev):
-19.4301 -19.4301 -17.2506 -17.2506 -16.9177 -16.9177 -16.9117 -16.9117
-4.1067 -4.1067 -3.2896 -3.2896 -3.2661 -3.2661 0.3616 0.3616
0.4631 0.4631 0.4881 0.4881 1.8850 1.8850 1.9337 1.9337
1.9961 1.9961 2.0614 2.0614 2.1991 2.1991 2.2517 2.2517
5.8183 5.8183 5.8402 5.8402 5.9281 5.9281 6.4573 6.4573
6.5513 6.5513 9.5820 9.5820 12.7330 12.7330
k = 0.0833 0.0833-0.0000 ( 2915 PWs) bands (ev):
-19.4323 -19.4323 -17.2517 -17.2517 -16.9162 -16.9162 -16.9114 -16.9114
-4.1081 -4.1081 -3.2899 -3.2899 -3.2706 -3.2706 0.3802 0.3802
0.4642 0.4642 0.4886 0.4886 1.9028 1.9028 1.9425 1.9425
1.9950 1.9950 2.0883 2.0883 2.2099 2.2099 2.2584 2.2584
5.8104 5.8104 5.8291 5.8291 5.9170 5.9170 6.4495 6.4495
6.5258 6.5258 9.5265 9.5265 12.7040 12.7040
k = 0.0741 0.0741-0.0000 ( 2931 PWs) bands (ev):
-19.4344 -19.4344 -17.2527 -17.2527 -16.9149 -16.9149 -16.9111 -16.9111
-4.1095 -4.1095 -3.2902 -3.2902 -3.2747 -3.2747 0.3964 0.3964
0.4657 0.4657 0.4890 0.4890 1.9184 1.9184 1.9504 1.9504
1.9941 1.9941 2.1128 2.1128 2.2209 2.2209 2.2646 2.2646
5.8033 5.8033 5.8187 5.8187 5.9070 5.9070 6.4423 6.4423
6.5026 6.5026 9.4763 9.4763 12.6775 12.6775
k = 0.0648 0.0648-0.0000 ( 2931 PWs) bands (ev):
-19.4362 -19.4362 -17.2535 -17.2535 -16.9137 -16.9137 -16.9108 -16.9108
-4.1108 -4.1108 -3.2905 -3.2905 -3.2784 -3.2784 0.4100 0.4100
0.4681 0.4681 0.4894 0.4894 1.9318 1.9318 1.9572 1.9572
1.9937 1.9937 2.1340 2.1340 2.2325 2.2325 2.2703 2.2703
5.7969 5.7969 5.8092 5.8092 5.8983 5.8983 6.4357 6.4357
6.4819 6.4819 9.4314 9.4314 12.6538 12.6538
k = 0.0556 0.0556-0.0000 ( 2933 PWs) bands (ev):
-19.4378 -19.4378 -17.2542 -17.2542 -16.9127 -16.9127 -16.9105 -16.9105
-4.1119 -4.1119 -3.2907 -3.2907 -3.2818 -3.2818 0.4208 0.4208
0.4713 0.4713 0.4897 0.4897 1.9432 1.9432 1.9627 1.9627
1.9940 1.9940 2.1515 2.1515 2.2444 2.2444 2.2754 2.2754
5.7914 5.7914 5.8007 5.8007 5.8907 5.8907 6.4299 6.4299
6.4638 6.4638 9.3922 9.3922 12.6329 12.6329
k = 0.0463 0.0463-0.0000 ( 2933 PWs) bands (ev):
-19.4391 -19.4391 -17.2548 -17.2548 -16.9118 -16.9118 -16.9103 -16.9103
-4.1129 -4.1129 -3.2910 -3.2910 -3.2847 -3.2847 0.4287 0.4287
0.4753 0.4753 0.4900 0.4900 1.9526 1.9526 1.9668 1.9668
1.9950 1.9950 2.1652 2.1652 2.2562 2.2562 2.2797 2.2797
5.7866 5.7866 5.7933 5.7933 5.8843 5.8843 6.4248 6.4248
6.4484 6.4484 9.3586 9.3586 12.6150 12.6150
k = 0.0370 0.0370-0.0000 ( 2937 PWs) bands (ev):
-19.4402 -19.4402 -17.2553 -17.2553 -16.9110 -16.9110 -16.9101 -16.9101
-4.1138 -4.1138 -3.2911 -3.2911 -3.2871 -3.2871 0.4340 0.4340
0.4798 0.4798 0.4902 0.4902 1.9601 1.9601 1.9696 1.9696
1.9967 1.9967 2.1756 2.1756 2.2672 2.2672 2.2834 2.2834
5.7827 5.7827 5.7870 5.7870 5.8790 5.8790 6.4206 6.4206
6.4357 6.4357 9.3310 9.3310 12.6002 12.6002
k = 0.0278 0.0278-0.0000 ( 2941 PWs) bands (ev):
-19.4411 -19.4411 -17.2557 -17.2557 -16.9105 -16.9105 -16.9099 -16.9099
-4.1145 -4.1145 -3.2913 -3.2913 -3.2890 -3.2890 0.4374 0.4374
0.4841 0.4841 0.4904 0.4904 1.9658 1.9658 1.9713 1.9713
1.9987 1.9987 2.1830 2.1830 2.2767 2.2767 2.2863 2.2863
5.7796 5.7796 5.7821 5.7821 5.8750 5.8750 6.4173 6.4173
6.4258 6.4258 9.3093 9.3093 12.5887 12.5887
k = 0.0185 0.0185-0.0000 ( 2945 PWs) bands (ev):
-19.4417 -19.4417 -17.2560 -17.2560 -16.9101 -16.9101 -16.9098 -16.9098
-4.1150 -4.1150 -3.2914 -3.2914 -3.2904 -3.2904 0.4395 0.4395
0.4876 0.4876 0.4905 0.4905 1.9698 1.9698 1.9723 1.9723
2.0005 2.0005 2.1880 2.1880 2.2839 2.2839 2.2883 2.2883
5.7774 5.7774 5.7785 5.7785 5.8720 5.8720 6.4148 6.4148
6.4186 6.4186 9.2938 9.2938 12.5805 12.5811
k = 0.0093 0.0093-0.0000 ( 2945 PWs) bands (ev):
-19.4421 -19.4421 -17.2562 -17.2562 -16.9098 -16.9098 -16.9098 -16.9098
-4.1153 -4.1153 -3.2915 -3.2915 -3.2912 -3.2912 0.4406 0.4406
0.4898 0.4898 0.4906 0.4906 1.9721 1.9721 1.9728 1.9728
2.0018 2.0018 2.1908 2.1908 2.2884 2.2884 2.2896 2.2896
5.7761 5.7761 5.7764 5.7764 5.8703 5.8703 6.4134 6.4134
6.4143 6.4143 9.2844 9.2844 12.5754 12.5757
k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev):
-19.4422 -19.4422 -17.2562 -17.2562 -16.9097 -16.9097 -16.9097 -16.9097
-4.1154 -4.1154 -3.2915 -3.2915 -3.2915 -3.2915 0.4409 0.4409
0.4906 0.4906 0.4906 0.4906 1.9729 1.9729 1.9729 1.9729
2.0022 2.0022 2.1918 2.1918 2.2900 2.2900 2.2900 2.2900
5.7756 5.7756 5.7756 5.7756 5.8697 5.8697 6.4129 6.4129
6.4129 6.4129 9.2813 9.2813 12.5736 12.5736
k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev):
-19.4422 -19.4422 -17.2562 -17.2562 -16.9097 -16.9097 -16.9097 -16.9097
-4.1154 -4.1154 -3.2915 -3.2915 -3.2915 -3.2915 0.4409 0.4409
0.4906 0.4906 0.4906 0.4906 1.9729 1.9729 1.9729 1.9729
2.0022 2.0022 2.1918 2.1918 2.2900 2.2900 2.2900 2.2900
5.7756 5.7756 5.7756 5.7756 5.8697 5.8697 6.4129 6.4129
6.4129 6.4129 9.2813 9.2813 12.5736 12.5736
k = 0.0076 0.0076 0.0076 ( 2945 PWs) bands (ev):
-19.4421 -19.4421 -17.2562 -17.2562 -16.9098 -16.9098 -16.9098 -16.9098
-4.1153 -4.1153 -3.2915 -3.2915 -3.2912 -3.2912 0.4406 0.4406
0.4898 0.4898 0.4906 0.4906 1.9721 1.9721 1.9728 1.9728
2.0018 2.0018 2.1908 2.1908 2.2884 2.2884 2.2896 2.2896
5.7762 5.7762 5.7763 5.7763 5.8703 5.8703 6.4139 6.4139
6.4139 6.4139 9.2845 9.2845 12.5755 12.5755
k = 0.0152 0.0152 0.0152 ( 2945 PWs) bands (ev):
-19.4417 -19.4417 -17.2560 -17.2560 -16.9100 -16.9100 -16.9099 -16.9099
-4.1150 -4.1150 -3.2915 -3.2915 -3.2903 -3.2903 0.4395 0.4395
0.4876 0.4876 0.4905 0.4905 1.9696 1.9696 1.9724 1.9724
2.0005 2.0005 2.1880 2.1880 2.2838 2.2838 2.2884 2.2884
5.7779 5.7779 5.7781 5.7781 5.8721 5.8721 6.4167 6.4167
6.4168 6.4168 9.2938 9.2938 12.5811 12.5812
k = 0.0227 0.0227 0.0227 ( 2945 PWs) bands (ev):
-19.4411 -19.4411 -17.2557 -17.2557 -16.9102 -16.9102 -16.9102 -16.9102
-4.1145 -4.1145 -3.2914 -3.2914 -3.2888 -3.2888 0.4374 0.4374
0.4841 0.4841 0.4904 0.4904 1.9656 1.9656 1.9713 1.9713
1.9989 1.9989 2.1829 2.1829 2.2765 2.2765 2.2864 2.2864
5.7806 5.7806 5.7812 5.7812 5.8749 5.8749 6.4215 6.4215
6.4216 6.4216 9.3094 9.3094 12.5905 12.5906
k = 0.0303 0.0303 0.0303 ( 2939 PWs) bands (ev):
-19.4402 -19.4402 -17.2553 -17.2553 -16.9106 -16.9106 -16.9106 -16.9106
-4.1138 -4.1138 -3.2914 -3.2914 -3.2868 -3.2868 0.4340 0.4340
0.4797 0.4797 0.4902 0.4902 1.9599 1.9599 1.9690 1.9690
1.9975 1.9975 2.1754 2.1754 2.2669 2.2669 2.2837 2.2837
5.7845 5.7845 5.7854 5.7854 5.8790 5.8790 6.4281 6.4281
6.4284 6.4284 9.3311 9.3311 12.6036 12.6036
k = 0.0379 0.0379 0.0379 ( 2933 PWs) bands (ev):
-19.4391 -19.4391 -17.2548 -17.2548 -16.9110 -16.9110 -16.9110 -16.9110
-4.1129 -4.1129 -3.2914 -3.2914 -3.2842 -3.2842 0.4286 0.4286
0.4752 0.4752 0.4900 0.4900 1.9527 1.9527 1.9646 1.9646
1.9970 1.9970 2.1647 2.1647 2.2558 2.2558 2.2803 2.2803
5.7894 5.7894 5.7909 5.7909 5.8841 5.8841 6.4367 6.4367
6.4371 6.4371 9.3588 9.3588 12.6201 12.6204
k = 0.0455 0.0455 0.0455 ( 2933 PWs) bands (ev):
-19.4377 -19.4377 -17.2542 -17.2542 -16.9116 -16.9116 -16.9116 -16.9116
-4.1119 -4.1119 -3.2914 -3.2914 -3.2811 -3.2811 0.4206 0.4206
0.4711 0.4711 0.4897 0.4897 1.9440 1.9440 1.9579 1.9579
1.9978 1.9978 2.1502 2.1502 2.2441 2.2441 2.2762 2.2762
5.7954 5.7954 5.7974 5.7974 5.8903 5.8903 6.4470 6.4470
6.4476 6.4476 9.3924 9.3924 12.6407 12.6409
k = 0.0530 0.0530 0.0530 ( 2933 PWs) bands (ev):
-19.4361 -19.4361 -17.2534 -17.2534 -16.9123 -16.9123 -16.9122 -16.9122
-4.1108 -4.1108 -3.2915 -3.2915 -3.2776 -3.2776 0.4098 0.4098
0.4679 0.4679 0.4894 0.4894 1.9338 1.9338 1.9491 1.9491
1.9998 1.9998 2.1314 2.1314 2.2327 2.2327 2.2715 2.2715
5.8023 5.8023 5.8050 5.8050 5.8976 5.8976 6.4592 6.4592
6.4600 6.4600 9.4317 9.4317 12.6644 12.6648
k = 0.0606 0.0606 0.0606 ( 2933 PWs) bands (ev):
-19.4343 -19.4343 -17.2526 -17.2526 -16.9131 -16.9131 -16.9130 -16.9130
-4.1096 -4.1096 -3.2916 -3.2916 -3.2735 -3.2735 0.3960 0.3960
0.4655 0.4655 0.4890 0.4890 1.9222 1.9222 1.9383 1.9383
2.0028 2.0028 2.1081 2.1081 2.2219 2.2219 2.2663 2.2663
5.8103 5.8103 5.8137 5.8137 5.9058 5.9058 6.4731 6.4731
6.4742 6.4742 9.4764 9.4764 12.6916 12.6920
k = 0.0682 0.0682 0.0682 ( 2927 PWs) bands (ev):
-19.4323 -19.4323 -17.2515 -17.2515 -16.9139 -16.9139 -16.9138 -16.9138
-4.1083 -4.1083 -3.2918 -3.2918 -3.2690 -3.2690 0.3796 0.3796
0.4639 0.4639 0.4885 0.4885 1.9093 1.9093 1.9257 1.9257
2.0066 2.0066 2.0804 2.0804 2.2120 2.2120 2.2607 2.2607
5.8192 5.8192 5.8233 5.8233 5.9150 5.9150 6.4888 6.4888
6.4902 6.4902 9.5265 9.5265 12.7218 12.7218
k = 0.0758 0.0758 0.0758 ( 2927 PWs) bands (ev):
-19.4300 -19.4300 -17.2504 -17.2504 -16.9149 -16.9149 -16.9147 -16.9147
-4.1070 -4.1070 -3.2921 -3.2921 -3.2642 -3.2642 0.3608 0.3608
0.4627 0.4627 0.4879 0.4879 1.8952 1.8952 1.9116 1.9116
2.0111 2.0111 2.0487 2.0487 2.2029 2.2029 2.2546 2.2546
5.8289 5.8289 5.8339 5.8339 5.9251 5.9251 6.5062 6.5062
6.5078 6.5078 9.5816 9.5816 12.7557 12.7575
k = 0.0833 0.0833 0.0833 ( 2927 PWs) bands (ev):
-19.4276 -19.4276 -17.2490 -17.2490 -16.9159 -16.9159 -16.9158 -16.9158
-4.1057 -4.1057 -3.2925 -3.2925 -3.2591 -3.2591 0.3399 0.3399
0.4619 0.4619 0.4873 0.4873 1.8799 1.8799 1.8961 1.8961
2.0134 2.0134 2.0165 2.0165 2.1944 2.1944 2.2483 2.2483
5.8395 5.8395 5.8454 5.8454 5.9360 5.9360 6.5253 6.5253
6.5271 6.5271 9.6416 9.6416 12.7927 12.7927
k = 0.0909 0.0909 0.0909 ( 2921 PWs) bands (ev):
-19.4250 -19.4250 -17.2475 -17.2475 -16.9171 -16.9171 -16.9169 -16.9169
-4.1044 -4.1044 -3.2930 -3.2930 -3.2537 -3.2537 0.3172 0.3172
0.4614 0.4614 0.4866 0.4866 1.8635 1.8635 1.8792 1.8792
1.9758 1.9758 2.0220 2.0220 2.1864 2.1864 2.2417 2.2417
5.8509 5.8509 5.8577 5.8577 5.9478 5.9478 6.5460 6.5460
6.5481 6.5481 9.7061 9.7061 12.8327 12.8327
k = 0.0985 0.0985 0.0985 ( 2924 PWs) bands (ev):
-19.4222 -19.4222 -17.2459 -17.2459 -16.9183 -16.9183 -16.9181 -16.9181
-4.1032 -4.1032 -3.2938 -3.2938 -3.2481 -3.2481 0.2926 0.2926
0.4609 0.4609 0.4858 0.4858 1.8463 1.8463 1.8610 1.8610
1.9356 1.9356 2.0282 2.0282 2.1787 2.1787 2.2350 2.2350
5.8630 5.8630 5.8707 5.8707 5.9603 5.9603 6.5682 6.5682
6.5706 6.5706 9.7749 9.7749 12.8757 12.8757
k = 0.1061 0.1061 0.1061 ( 2924 PWs) bands (ev):
-19.4192 -19.4192 -17.2440 -17.2440 -16.9196 -16.9196 -16.9193 -16.9193
-4.1021 -4.1021 -3.2948 -3.2948 -3.2423 -3.2423 0.2665 0.2665
0.4605 0.4605 0.4849 0.4849 1.8282 1.8282 1.8414 1.8414
1.8938 1.8938 2.0349 2.0349 2.1714 2.1714 2.2282 2.2282
5.8759 5.8759 5.8845 5.8845 5.9735 5.9735 6.5920 6.5920
6.5945 6.5945 9.8477 9.8477 12.9214 12.9214
k = 0.1136 0.1136 0.1136 ( 2930 PWs) bands (ev):
-19.4161 -19.4161 -17.2420 -17.2420 -16.9210 -16.9210 -16.9207 -16.9207
-4.1011 -4.1011 -3.2959 -3.2959 -3.2366 -3.2366 0.2390 0.2390
0.4602 0.4602 0.4838 0.4838 1.8094 1.8094 1.8193 1.8193
1.8518 1.8518 2.0420 2.0420 2.1644 2.1644 2.2214 2.2214
5.8893 5.8893 5.8988 5.8988 5.9873 5.9873 6.6171 6.6171
6.6199 6.6199 9.9243 9.9243 12.9697 12.9697
k = 0.1212 0.1212 0.1212 ( 2917 PWs) bands (ev):
-19.4128 -19.4128 -17.2398 -17.2398 -16.9224 -16.9224 -16.9221 -16.9221
-4.1004 -4.1004 -3.2974 -3.2974 -3.2308 -3.2308 0.2102 0.2102
0.4598 0.4598 0.4827 0.4827 1.7900 1.7900 1.7902 1.7902
1.8149 1.8149 2.0496 2.0496 2.1577 2.1577 2.2147 2.2147
5.9035 5.9035 5.9138 5.9138 6.0018 6.0018 6.6437 6.6437
6.6467 6.6467 10.0043 10.0043 13.0206 13.0206
k = 0.1288 0.1288 0.1288 ( 2920 PWs) bands (ev):
-19.4095 -19.4095 -17.2374 -17.2374 -16.9240 -16.9240 -16.9236 -16.9236
-4.0999 -4.0999 -3.2992 -3.2992 -3.2252 -3.2252 0.1802 0.1802
0.4594 0.4594 0.4814 0.4814 1.7493 1.7493 1.7702 1.7702
1.7881 1.7881 2.0576 2.0576 2.1515 2.1515 2.2081 2.2081
5.9181 5.9181 5.9292 5.9292 6.0168 6.0168 6.6715 6.6715
6.6747 6.6747 10.0875 10.0875 13.0737 13.0737
k = 0.1364 0.1364 0.1364 ( 2923 PWs) bands (ev):
-19.4060 -19.4060 -17.2348 -17.2348 -16.9256 -16.9256 -16.9251 -16.9251
-4.0997 -4.0997 -3.3012 -3.3012 -3.2198 -3.2198 0.1492 0.1492
0.4589 0.4589 0.4800 0.4800 1.7036 1.7036 1.7500 1.7500
1.7649 1.7649 2.0660 2.0660 2.1456 2.1456 2.2018 2.2018
5.9333 5.9333 5.9451 5.9451 6.0323 6.0323 6.7006 6.7006
6.7039 6.7039 10.1736 10.1736 13.1288 13.1343
k = 0.1439 0.1439 0.1439 ( 2917 PWs) bands (ev):
-19.4024 -19.4024 -17.2319 -17.2319 -16.9272 -16.9272 -16.9267 -16.9267
-4.0998 -4.0998 -3.3037 -3.3037 -3.2147 -3.2147 0.1172 0.1172
0.4583 0.4583 0.4785 0.4785 1.6565 1.6565 1.7296 1.7296
1.7424 1.7424 2.0747 2.0747 2.1403 2.1403 2.1958 2.1958
5.9490 5.9490 5.9614 5.9614 6.0482 6.0482 6.7309 6.7309
6.7343 6.7343 10.2624 10.2624 13.1859 13.1859
k = 0.1515 0.1515 0.1515 ( 2923 PWs) bands (ev):
-19.3988 -19.3988 -17.2289 -17.2289 -16.9290 -16.9290 -16.9284 -16.9284
-4.1002 -4.1002 -3.3065 -3.3065 -3.2100 -3.2100 0.0845 0.0845
0.4577 0.4577 0.4768 0.4768 1.6089 1.6089 1.7091 1.7091
1.7201 1.7201 2.0837 2.0837 2.1356 2.1356 2.1901 2.1901
5.9650 5.9650 5.9781 5.9781 6.0645 6.0645 6.7623 6.7623
6.7658 6.7658 10.3534 10.3534 13.2445 13.2445
k = 0.1591 0.1591 0.1591 ( 2917 PWs) bands (ev):
-19.3951 -19.3951 -17.2256 -17.2256 -16.9307 -16.9307 -16.9301 -16.9301
-4.1011 -4.1011 -3.3097 -3.3097 -3.2058 -3.2058 0.0511 0.0511
0.4568 0.4568 0.4749 0.4749 1.5614 1.5614 1.6886 1.6886
1.6977 1.6977 2.0928 2.0928 2.1316 2.1316 2.1849 2.1849
5.9814 5.9814 5.9951 5.9951 6.0811 6.0811 6.7947 6.7947
6.7983 6.7983 10.4464 10.4464 13.3046 13.3046
k = 0.1667 0.1667 0.1667 ( 2905 PWs) bands (ev):
-19.3913 -19.3913 -17.2220 -17.2220 -16.9325 -16.9325 -16.9319 -16.9319
-4.1023 -4.1023 -3.3133 -3.3133 -3.2022 -3.2022 0.0171 0.0171
0.4559 0.4559 0.4729 0.4729 1.5145 1.5145 1.6681 1.6681
1.6754 1.6754 2.1019 2.1019 2.1286 2.1286 2.1802 2.1802
5.9982 5.9982 6.0123 6.0123 6.0981 6.0981 6.8281 6.8281
6.8318 6.8318 10.5411 10.5411 13.3656 13.3656
k = 0.1742 0.1742 0.1742 ( 2911 PWs) bands (ev):
-19.3875 -19.3875 -17.2182 -17.2182 -16.9344 -16.9344 -16.9337 -16.9337
-4.1040 -4.1040 -3.3174 -3.3174 -3.1993 -3.1993 -0.0173 -0.0173
0.4548 0.4548 0.4708 0.4708 1.4683 1.4683 1.6479 1.6479
1.6532 1.6532 2.1098 2.1098 2.1276 2.1276 2.1760 2.1760
6.0152 6.0152 6.0297 6.0297 6.1152 6.1152 6.8623 6.8623
6.8660 6.8660 10.6372 10.6372 13.4274 13.4274
k = 0.1818 0.1818 0.1818 ( 2923 PWs) bands (ev):
-19.3837 -19.3837 -17.2142 -17.2142 -16.9363 -16.9363 -16.9356 -16.9356
-4.1062 -4.1062 -3.3219 -3.3219 -3.1972 -3.1972 -0.0522 -0.0522
0.4534 0.4534 0.4684 0.4684 1.4232 1.4232 1.6279 1.6279
1.6312 1.6312 2.1145 2.1145 2.1309 2.1309 2.1725 2.1725
6.0323 6.0323 6.0473 6.0473 6.1325 6.1325 6.8974 6.8974
6.9010 6.9010 10.7345 10.7345 13.4894 13.4975
k = 0.1894 0.1894 0.1894 ( 2911 PWs) bands (ev):
-19.3799 -19.3799 -17.2100 -17.2100 -16.9382 -16.9382 -16.9374 -16.9374
-4.1089 -4.1089 -3.3269 -3.3269 -3.1960 -3.1960 -0.0874 -0.0874
0.4519 0.4519 0.4658 0.4658 1.3794 1.3794 1.6083 1.6083
1.6095 1.6095 2.1155 2.1155 2.1389 2.1389 2.1697 2.1697
6.0498 6.0498 6.0650 6.0650 6.1500 6.1500 6.9333 6.9333
6.9369 6.9369 10.8325 10.8325 13.5512 13.5512
k = 0.1970 0.1970 0.1970 ( 2917 PWs) bands (ev):
-19.3761 -19.3761 -17.2055 -17.2055 -16.9402 -16.9402 -16.9393 -16.9393
-4.1121 -4.1121 -3.3324 -3.3324 -3.1957 -3.1957 -0.1228 -0.1228
0.4502 0.4502 0.4630 0.4630 1.3372 1.3372 1.5881 1.5881
1.5891 1.5891 2.1156 2.1156 2.1488 2.1488 2.1676 2.1676
6.0673 6.0673 6.0827 6.0827 6.1676 6.1676 6.9698 6.9698
6.9733 6.9733 10.9311 10.9311 13.6121 13.6121
k = 0.2045 0.2045 0.2045 ( 2920 PWs) bands (ev):
-19.3723 -19.3723 -17.2007 -17.2007 -16.9422 -16.9422 -16.9413 -16.9413
-4.1158 -4.1158 -3.3383 -3.3383 -3.1966 -3.1966 -0.1584 -0.1584
0.4482 0.4482 0.4601 0.4601 1.2969 1.2969 1.5672 1.5672
1.5704 1.5704 2.1160 2.1160 2.1595 2.1595 2.1663 2.1663
6.0849 6.0849 6.1005 6.1005 6.1853 6.1853 7.0069 7.0069
7.0103 7.0103 11.0298 11.0298 13.6715 13.6715
k = 0.2121 0.2121 0.2121 ( 2917 PWs) bands (ev):
-19.3686 -19.3686 -17.1957 -17.1957 -16.9442 -16.9442 -16.9432 -16.9432
-4.1201 -4.1201 -3.3448 -3.3448 -3.1985 -3.1985 -0.1941 -0.1941
0.4460 0.4460 0.4569 0.4569 1.2587 1.2587 1.5467 1.5467
1.5523 1.5523 2.1170 2.1170 2.1659 2.1659 2.1706 2.1706
6.1026 6.1026 6.1183 6.1183 6.2030 6.2030 7.0445 7.0445
7.0478 7.0478 11.1284 11.1284 13.7283 13.7283
k = 0.2197 0.2197 0.2197 ( 2929 PWs) bands (ev):
-19.3649 -19.3649 -17.1905 -17.1905 -16.9462 -16.9462 -16.9452 -16.9452
-4.1249 -4.1249 -3.3517 -3.3517 -3.2016 -3.2016 -0.2300 -0.2300
0.4435 0.4435 0.4535 0.4535 1.2228 1.2228 1.5267 1.5267
1.5348 1.5348 2.1188 2.1188 2.1663 2.1663 2.1820 2.1820
6.1203 6.1203 6.1360 6.1360 6.2207 6.2207 7.0825 7.0825
7.0857 7.0857 11.2265 11.2265 13.7815 13.7815
k = 0.2273 0.2273 0.2273 ( 2923 PWs) bands (ev):
-19.3613 -19.3613 -17.1850 -17.1850 -16.9482 -16.9482 -16.9472 -16.9472
-4.1302 -4.1302 -3.3591 -3.3591 -3.2059 -3.2059 -0.2658 -0.2658
0.4408 0.4408 0.4500 0.4500 1.1894 1.1894 1.5074 1.5074
1.5179 1.5179 2.1215 2.1215 2.1676 2.1676 2.1935 2.1935
6.1379 6.1379 6.1537 6.1537 6.2384 6.2384 7.1210 7.1210
7.1241 7.1241 11.3238 11.3238 13.8297 13.8297
k = 0.2348 0.2348 0.2348 ( 2923 PWs) bands (ev):
-19.3577 -19.3577 -17.1794 -17.1794 -16.9503 -16.9503 -16.9491 -16.9491
-4.1361 -4.1361 -3.3670 -3.3670 -3.2115 -3.2115 -0.3016 -0.3016
0.4379 0.4379 0.4462 0.4462 1.1586 1.1586 1.4886 1.4886
1.5017 1.5017 2.1251 2.1251 2.1698 2.1698 2.2052 2.2052
6.1555 6.1555 6.1713 6.1713 6.2560 6.2560 7.1598 7.1598
7.1627 7.1627 11.4200 11.4200 13.8712 13.8713
k = 0.2424 0.2424 0.2424 ( 2926 PWs) bands (ev):
-19.3542 -19.3542 -17.1734 -17.1734 -16.9523 -16.9523 -16.9511 -16.9511
-4.1425 -4.1425 -3.3753 -3.3753 -3.2183 -3.2183 -0.3374 -0.3374
0.4347 0.4347 0.4422 0.4422 1.1307 1.1307 1.4705 1.4705
1.4862 1.4862 2.1296 2.1296 2.1730 2.1730 2.2170 2.2170
6.1730 6.1730 6.1887 6.1887 6.2734 6.2734 7.1988 7.1988
7.2016 7.2016 11.5147 11.5147 13.9045 13.9045
k = 0.2500 0.2500 0.2500 ( 2905 PWs) bands (ev):
-19.3508 -19.3508 -17.1673 -17.1673 -16.9543 -16.9543 -16.9531 -16.9531
-4.1494 -4.1494 -3.3840 -3.3840 -3.2264 -3.2264 -0.3732 -0.3732
0.4313 0.4313 0.4381 0.4381 1.1056 1.1056 1.4532 1.4532
1.4714 1.4714 2.1350 2.1350 2.1771 2.1771 2.2289 2.2289
6.1905 6.1905 6.2061 6.2061 6.2908 6.2908 7.2380 7.2380
7.2407 7.2407 11.6075 11.6075 13.9278 13.9278
k = 0.2576 0.2576 0.2576 ( 2929 PWs) bands (ev):
-19.3475 -19.3475 -17.1611 -17.1611 -16.9564 -16.9564 -16.9551 -16.9551
-4.1568 -4.1568 -3.3932 -3.3932 -3.2358 -3.2358 -0.4088 -0.4088
0.4276 0.4276 0.4337 0.4337 1.0836 1.0836 1.4365 1.4365
1.4573 1.4573 2.1413 2.1413 2.1821 2.1821 2.2408 2.2408
6.2077 6.2077 6.2230 6.2230 6.3079 6.3079 7.2772 7.2772
7.2796 7.2796 11.6982 11.6982 13.9397 13.9397
k = 0.2652 0.2652 0.2652 ( 2929 PWs) bands (ev):
-19.3443 -19.3443 -17.1546 -17.1546 -16.9584 -16.9584 -16.9570 -16.9570
-4.1647 -4.1647 -3.4027 -3.4027 -3.2464 -3.2464 -0.4443 -0.4443
0.4238 0.4238 0.4292 0.4292 1.0646 1.0646 1.4205 1.4205
1.4440 1.4440 2.1486 2.1486 2.1882 2.1882 2.2528 2.2528
6.2247 6.2247 6.2398 6.2398 6.3248 6.3248 7.3165 7.3165
7.3187 7.3187 11.7864 11.7864 13.9395 13.9395
k = 0.2727 0.2727 0.2727 ( 2929 PWs) bands (ev):
-19.3412 -19.3412 -17.1479 -17.1479 -16.9604 -16.9604 -16.9589 -16.9589
-4.1730 -4.1730 -3.4126 -3.4126 -3.2582 -3.2582 -0.4797 -0.4797
0.4197 0.4197 0.4245 0.4245 1.0487 1.0487 1.4053 1.4053
1.4314 1.4314 2.1568 2.1568 2.1951 2.1951 2.2647 2.2647
6.2415 6.2415 6.2564 6.2564 6.3415 6.3415 7.3557 7.3557
7.3578 7.3578 11.8716 11.8716 13.9272 13.9272
k = 0.2803 0.2803 0.2803 ( 2929 PWs) bands (ev):
-19.3382 -19.3382 -17.1411 -17.1411 -16.9623 -16.9623 -16.9609 -16.9609
-4.1818 -4.1818 -3.4227 -3.4227 -3.2711 -3.2711 -0.5148 -0.5148
0.4154 0.4154 0.4196 0.4196 1.0358 1.0358 1.3909 1.3909
1.4195 1.4195 2.1658 2.1658 2.2029 2.2029 2.2765 2.2765
6.2581 6.2581 6.2726 6.2726 6.3579 6.3579 7.3948 7.3948
7.3967 7.3967 11.9537 11.9537 13.9035 13.9035
k = 0.2879 0.2879 0.2879 ( 2929 PWs) bands (ev):
-19.3354 -19.3354 -17.1342 -17.1342 -16.9643 -16.9643 -16.9627 -16.9627
-4.1910 -4.1910 -3.4332 -3.4332 -3.2851 -3.2851 -0.5497 -0.5497
0.4109 0.4109 0.4147 0.4147 1.0259 1.0259 1.3772 1.3772
1.4084 1.4084 2.1756 2.1756 2.2116 2.2116 2.2883 2.2883
6.2744 6.2744 6.2886 6.2886 6.3740 6.3740 7.4337 7.4337
7.4354 7.4354 12.0321 12.0321 13.8700 13.8700
k = 0.2955 0.2955 0.2955 ( 2929 PWs) bands (ev):
-19.3326 -19.3326 -17.1272 -17.1272 -16.9662 -16.9662 -16.9646 -16.9646
-4.2005 -4.2005 -3.4439 -3.4439 -3.3000 -3.3000 -0.5842 -0.5842
0.4063 0.4063 0.4096 0.4096 1.0189 1.0189 1.3643 1.3643
1.3980 1.3980 2.1863 2.1863 2.2211 2.2211 2.3000 2.3000
6.2904 6.2904 6.3042 6.3042 6.3899 6.3899 7.4723 7.4723
7.4739 7.4739 12.1067 12.1067 13.8281 13.8281
k = 0.3030 0.3030 0.3030 ( 2932 PWs) bands (ev):
-19.3300 -19.3300 -17.1201 -17.1201 -16.9681 -16.9681 -16.9664 -16.9664
-4.2103 -4.2103 -3.4548 -3.4548 -3.3158 -3.3158 -0.6184 -0.6184
0.4015 0.4015 0.4044 0.4044 1.0148 1.0148 1.3521 1.3521
1.3882 1.3882 2.1976 2.1976 2.2314 2.2314 2.3116 2.3116
6.3061 6.3061 6.3194 6.3194 6.4053 6.4053 7.5105 7.5105
7.5119 7.5119 12.1771 12.1771 13.7795 13.7795
k = 0.3106 0.3106 0.3106 ( 2932 PWs) bands (ev):
-19.3275 -19.3275 -17.1130 -17.1130 -16.9699 -16.9699 -16.9682 -16.9682
-4.2205 -4.2205 -3.4658 -3.4658 -3.3323 -3.3323 -0.6521 -0.6521
0.3966 0.3966 0.3991 0.3991 1.0133 1.0133 1.3407 1.3407
1.3791 1.3791 2.2096 2.2096 2.2424 2.2424 2.3230 2.3230
6.3215 6.3215 6.3343 6.3343 6.4204 6.4204 7.5484 7.5484
7.5496 7.5496 12.2431 12.2431 13.7256 13.7256
k = 0.3182 0.3182 0.3182 ( 2932 PWs) bands (ev):
-19.3252 -19.3252 -17.1058 -17.1058 -16.9717 -16.9717 -16.9700 -16.9700
-4.2308 -4.2308 -3.4769 -3.4769 -3.3494 -3.3494 -0.6853 -0.6853
0.3916 0.3916 0.3938 0.3938 1.0143 1.0143 1.3300 1.3300
1.3707 1.3707 2.2222 2.2222 2.2541 2.2541 2.3343 2.3343
6.3364 6.3364 6.3488 6.3488 6.4352 6.4352 7.5857 7.5857
7.5868 7.5868 12.3044 12.3044 13.6678 13.6678
k = 0.3258 0.3258 0.3258 ( 2944 PWs) bands (ev):
-19.3230 -19.3230 -17.0986 -17.0986 -16.9735 -16.9735 -16.9717 -16.9717
-4.2413 -4.2413 -3.4881 -3.4881 -3.3671 -3.3671 -0.7179 -0.7179
0.3866 0.3866 0.3884 0.3884 1.0177 1.0177 1.3200 1.3200
1.3628 1.3628 2.2354 2.2354 2.2664 2.2664 2.3453 2.3453
6.3510 6.3510 6.3627 6.3627 6.4494 6.4494 7.6224 7.6224
7.6234 7.6234 12.3607 12.3607 13.6071 13.6071
k = 0.3333 0.3333 0.3333 ( 2941 PWs) bands (ev):
-19.3209 -19.3209 -17.0914 -17.0914 -16.9752 -16.9752 -16.9733 -16.9733
-4.2520 -4.2520 -3.4992 -3.4992 -3.3851 -3.3851 -0.7498 -0.7498
0.3815 0.3815 0.3830 0.3830 1.0231 1.0231 1.3108 1.3108
1.3556 1.3556 2.2489 2.2489 2.2791 2.2791 2.3561 2.3561
6.3651 6.3651 6.3763 6.3763 6.4633 6.4633 7.6585 7.6585
7.6593 7.6593 12.4120 12.4120 13.5445 13.5445
k = 0.3409 0.3409 0.3409 ( 2944 PWs) bands (ev):
-19.3189 -19.3189 -17.0843 -17.0843 -16.9768 -16.9768 -16.9749 -16.9749
-4.2627 -4.2627 -3.5103 -3.5103 -3.4034 -3.4034 -0.7810 -0.7810
0.3763 0.3763 0.3776 0.3776 1.0305 1.0305 1.3024 1.3024
1.3489 1.3489 2.2628 2.2628 2.2923 2.2923 2.3666 2.3666
6.3788 6.3788 6.3894 6.3894 6.4767 6.4767 7.6938 7.6938
7.6945 7.6945 12.4582 12.4582 13.4808 13.4808
k = 0.3485 0.3485 0.3485 ( 2944 PWs) bands (ev):
-19.3170 -19.3170 -17.0773 -17.0773 -16.9784 -16.9784 -16.9765 -16.9765
-4.2735 -4.2735 -3.5213 -3.5213 -3.4218 -3.4218 -0.8113 -0.8113
0.3712 0.3712 0.3723 0.3723 1.0394 1.0394 1.2946 1.2946
1.3428 1.3428 2.2770 2.2770 2.3058 2.3058 2.3769 2.3769
6.3920 6.3920 6.4020 6.4020 6.4897 6.4897 7.7283 7.7283
7.7289 7.7289 12.4992 12.4992 13.4166 13.4166
k = 0.3561 0.3561 0.3561 ( 2932 PWs) bands (ev):
-19.3153 -19.3153 -17.0703 -17.0703 -16.9799 -16.9799 -16.9780 -16.9780
-4.2842 -4.2842 -3.5321 -3.5321 -3.4401 -3.4401 -0.8406 -0.8406
0.3661 0.3661 0.3670 0.3670 1.0498 1.0498 1.2876 1.2876
1.3372 1.3372 2.2913 2.2913 2.3195 2.3195 2.3869 2.3869
6.4048 6.4048 6.4142 6.4142 6.5021 6.5021 7.7620 7.7620
7.7625 7.7625 12.5350 12.5350 13.3526 13.3526
k = 0.3636 0.3636 0.3636 ( 2938 PWs) bands (ev):
-19.3137 -19.3137 -17.0635 -17.0635 -16.9814 -16.9814 -16.9794 -16.9794
-4.2948 -4.2948 -3.5428 -3.5428 -3.4584 -3.4584 -0.8690 -0.8690
0.3611 0.3611 0.3619 0.3619 1.0613 1.0613 1.2813 1.2813
1.3320 1.3320 2.3056 2.3056 2.3334 2.3334 2.3965 2.3965
6.4170 6.4170 6.4258 6.4258 6.5140 6.5140 7.7947 7.7947
7.7951 7.7951 12.5657 12.5657 13.2892 13.2892
k = 0.3712 0.3712 0.3712 ( 2941 PWs) bands (ev):
-19.3122 -19.3122 -17.0569 -17.0569 -16.9828 -16.9828 -16.9808 -16.9808
-4.3053 -4.3053 -3.5531 -3.5531 -3.4763 -3.4763 -0.8963 -0.8963
0.3562 0.3562 0.3568 0.3568 1.0736 1.0736 1.2758 1.2758
1.3274 1.3274 2.3199 2.3199 2.3473 2.3473 2.4058 2.4058
6.4287 6.4287 6.4368 6.4368 6.5254 6.5254 7.8262 7.8262
7.8265 7.8265 12.5915 12.5915 13.2269 13.2269
k = 0.3788 0.3788 0.3788 ( 2941 PWs) bands (ev):
-19.3108 -19.3108 -17.0505 -17.0505 -16.9841 -16.9841 -16.9821 -16.9821
-4.3156 -4.3156 -3.5632 -3.5632 -3.4939 -3.4939 -0.9225 -0.9225
0.3514 0.3514 0.3519 0.3519 1.0865 1.0865 1.2710 1.2710
1.3231 1.3231 2.3341 2.3341 2.3611 2.3611 2.4148 2.4148
6.4399 6.4399 6.4473 6.4473 6.5363 6.5363 7.8566 7.8566
7.8569 7.8569 12.6126 12.6126 13.1661 13.1661
k = 0.3864 0.3864 0.3864 ( 2941 PWs) bands (ev):
-19.3095 -19.3095 -17.0443 -17.0443 -16.9854 -16.9854 -16.9833 -16.9833
-4.3256 -4.3256 -3.5729 -3.5729 -3.5110 -3.5110 -0.9474 -0.9474
0.3467 0.3467 0.3471 0.3471 1.0996 1.0996 1.2671 1.2671
1.3192 1.3192 2.3480 2.3480 2.3747 2.3747 2.4233 2.4233
6.4505 6.4505 6.4573 6.4573 6.5466 6.5466 7.8858 7.8858
7.8860 7.8860 12.6293 12.6293 13.1072 13.1072
k = 0.3939 0.3939 0.3939 ( 2941 PWs) bands (ev):
-19.3083 -19.3083 -17.0383 -17.0383 -16.9866 -16.9866 -16.9845 -16.9845
-4.3353 -4.3353 -3.5822 -3.5822 -3.5275 -3.5275 -0.9711 -0.9711
0.3422 0.3422 0.3425 0.3425 1.1126 1.1126 1.2640 1.2640
1.3158 1.3158 2.3615 2.3615 2.3881 2.3881 2.4315 2.4315
6.4605 6.4605 6.4666 6.4666 6.5563 6.5563 7.9136 7.9136
7.9137 7.9137 12.6419 12.6419 13.0505 13.0505
k = 0.4015 0.4015 0.4015 ( 2941 PWs) bands (ev):
-19.3073 -19.3073 -17.0326 -17.0326 -16.9877 -16.9877 -16.9856 -16.9856
-4.3446 -4.3446 -3.5911 -3.5911 -3.5433 -3.5433 -0.9934 -0.9934
0.3380 0.3380 0.3382 0.3382 1.1252 1.1252 1.2620 1.2620
1.3126 1.3126 2.3745 2.3745 2.4011 2.4011 2.4392 2.4392
6.4700 6.4700 6.4754 6.4754 6.5654 6.5654 7.9400 7.9400
7.9401 7.9401 12.6508 12.6508 12.9964 12.9964
k = 0.4091 0.4091 0.4091 ( 2941 PWs) bands (ev):
-19.3063 -19.3063 -17.0272 -17.0272 -16.9888 -16.9888 -16.9866 -16.9866
-4.3535 -4.3535 -3.5995 -3.5995 -3.5582 -3.5582 -1.0142 -1.0142
0.3339 0.3339 0.3341 0.3341 1.1370 1.1370 1.2609 1.2609
1.3098 1.3098 2.3870 2.3870 2.4136 2.4136 2.4466 2.4466
6.4788 6.4788 6.4835 6.4835 6.5739 6.5739 7.9649 7.9649
7.9650 7.9650 12.6565 12.6565 12.9451 12.9451
k = 0.4167 0.4167 0.4167 ( 2935 PWs) bands (ev):
-19.3054 -19.3054 -17.0222 -17.0222 -16.9897 -16.9897 -16.9876 -16.9876
-4.3619 -4.3619 -3.6073 -3.6073 -3.5723 -3.5723 -1.0336 -1.0336
0.3300 0.3300 0.3302 0.3302 1.1478 1.1478 1.2610 1.2610
1.3074 1.3074 2.3988 2.3988 2.4255 2.4255 2.4535 2.4535
6.4870 6.4870 6.4911 6.4911 6.5818 6.5818 7.9882 7.9882
7.9883 7.9883 12.6593 12.6593 12.8969 12.8969
k = 0.4242 0.4242 0.4242 ( 2944 PWs) bands (ev):
-19.3046 -19.3046 -17.0175 -17.0175 -16.9906 -16.9906 -16.9884 -16.9884
-4.3698 -4.3698 -3.6147 -3.6147 -3.5854 -3.5854 -1.0515 -1.0515
0.3264 0.3264 0.3265 0.3265 1.1572 1.1572 1.2624 1.2624
1.3051 1.3051 2.4097 2.4097 2.4367 2.4367 2.4600 2.4600
6.4945 6.4945 6.4980 6.4980 6.5890 6.5890 8.0098 8.0098
8.0098 8.0098 12.6599 12.6599 12.8520 12.8520
k = 0.4318 0.4318 0.4318 ( 2944 PWs) bands (ev):
-19.3039 -19.3039 -17.0132 -17.0132 -16.9914 -16.9914 -16.9892 -16.9892
-4.3771 -4.3771 -3.6214 -3.6214 -3.5975 -3.5975 -1.0678 -1.0678
0.3231 0.3231 0.3232 0.3232 1.1650 1.1650 1.2649 1.2649
1.3032 1.3032 2.4198 2.4198 2.4472 2.4472 2.4660 2.4660
6.5014 6.5014 6.5042 6.5042 6.5956 6.5956 8.0296 8.0296
8.0297 8.0297 12.6585 12.6585 12.8108 12.8108
k = 0.4394 0.4394 0.4394 ( 2944 PWs) bands (ev):
-19.3033 -19.3033 -17.0093 -17.0093 -16.9921 -16.9921 -16.9899 -16.9899
-4.3838 -4.3838 -3.6275 -3.6275 -3.6085 -3.6085 -1.0825 -1.0825
0.3201 0.3201 0.3202 0.3202 1.1713 1.1713 1.2685 1.2685
1.3015 1.3015 2.4290 2.4290 2.4568 2.4568 2.4716 2.4716
6.5076 6.5076 6.5099 6.5099 6.6016 6.6016 8.0476 8.0476
8.0477 8.0477 12.6558 12.6558 12.7734 12.7734
k = 0.4470 0.4470 0.4470 ( 2944 PWs) bands (ev):
-19.3028 -19.3028 -17.0058 -17.0058 -16.9927 -16.9927 -16.9906 -16.9906
-4.3897 -4.3897 -3.6329 -3.6329 -3.6183 -3.6183 -1.0956 -1.0956
0.3174 0.3174 0.3175 0.3175 1.1760 1.1760 1.2729 1.2729
1.3001 1.3001 2.4371 2.4371 2.4655 2.4655 2.4767 2.4767
6.5131 6.5131 6.5149 6.5149 6.6068 6.6068 8.0637 8.0637
8.0637 8.0637 12.6520 12.6520 12.7401 12.7401
k = 0.4545 0.4545 0.4545 ( 2944 PWs) bands (ev):
-19.3023 -19.3023 -17.0028 -17.0028 -16.9932 -16.9932 -16.9911 -16.9911
-4.3950 -4.3950 -3.6377 -3.6377 -3.6269 -3.6269 -1.1070 -1.1070
0.3151 0.3151 0.3151 0.3151 1.1795 1.1795 1.2776 1.2776
1.2988 1.2988 2.4441 2.4441 2.4732 2.4732 2.4813 2.4813
6.5179 6.5179 6.5192 6.5192 6.6114 6.6114 8.0778 8.0778
8.0778 8.0778 12.6475 12.6475 12.7111 12.7111
k = 0.4621 0.4621 0.4621 ( 2944 PWs) bands (ev):
-19.3019 -19.3019 -17.0003 -17.0003 -16.9935 -16.9935 -16.9916 -16.9916
-4.3995 -4.3995 -3.6418 -3.6418 -3.6342 -3.6342 -1.1166 -1.1166
0.3131 0.3131 0.3131 0.3131 1.1820 1.1820 1.2824 1.2824
1.2978 1.2978 2.4500 2.4500 2.4798 2.4798 2.4853 2.4853
6.5220 6.5220 6.5229 6.5229 6.6153 6.6153 8.0899 8.0899
8.0899 8.0899 12.6426 12.6426 12.6868 12.6868
k = 0.4697 0.4697 0.4697 ( 2932 PWs) bands (ev):
-19.3016 -19.3016 -16.9984 -16.9984 -16.9936 -16.9936 -16.9920 -16.9920
-4.4033 -4.4033 -3.6451 -3.6451 -3.6403 -3.6403 -1.1246 -1.1246
0.3114 0.3114 0.3114 0.3114 1.1837 1.1837 1.2867 1.2867
1.2970 1.2970 2.4549 2.4549 2.4852 2.4852 2.4888 2.4888
6.5254 6.5254 6.5260 6.5260 6.6186 6.6186 8.0998 8.0998
8.0998 8.0998 12.6371 12.6371 12.6677 12.6677
k = 0.4773 0.4773 0.4773 ( 2932 PWs) bands (ev):
-19.3014 -19.3014 -16.9971 -16.9971 -16.9935 -16.9935 -16.9922 -16.9922
-4.4062 -4.4062 -3.6478 -3.6478 -3.6450 -3.6450 -1.1308 -1.1308
0.3101 0.3101 0.3101 0.3101 1.1848 1.1848 1.2904 1.2904
1.2964 1.2964 2.4586 2.4586 2.4896 2.4896 2.4915 2.4915
6.5280 6.5280 6.5283 6.5283 6.6211 6.6211 8.1076 8.1076
8.1076 8.1076 12.6309 12.6309 12.6543 12.6543
k = 0.4848 0.4848 0.4848 ( 2932 PWs) bands (ev):
-19.3012 -19.3012 -16.9965 -16.9965 -16.9931 -16.9931 -16.9925 -16.9925
-4.4083 -4.4083 -3.6497 -3.6497 -3.6484 -3.6484 -1.1352 -1.1352
0.3092 0.3092 0.3092 0.3092 1.1855 1.1855 1.2932 1.2932
1.2959 1.2959 2.4612 2.4612 2.4927 2.4927 2.4935 2.4935
6.5299 6.5299 6.5300 6.5300 6.6229 6.6229 8.1132 8.1132
8.1132 8.1132 12.6245 12.6245 12.6465 12.6465
k = 0.4924 0.4924 0.4924 ( 2908 PWs) bands (ev):
-19.3011 -19.3011 -16.9962 -16.9962 -16.9928 -16.9928 -16.9926 -16.9926
-4.4096 -4.4096 -3.6508 -3.6508 -3.6505 -3.6505 -1.1379 -1.1379
0.3087 0.3087 0.3087 0.3087 1.1859 1.1859 1.2950 1.2950
1.2957 1.2957 2.4628 2.4628 2.4946 2.4946 2.4948 2.4948
6.5310 6.5310 6.5311 6.5311 6.6240 6.6240 8.1166 8.1166
8.1166 8.1166 12.6198 12.6198 12.6427 12.6427
k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev):
-19.3010 -19.3010 -16.9961 -16.9961 -16.9926 -16.9926 -16.9926 -16.9926
-4.4100 -4.4100 -3.6511 -3.6511 -3.6511 -3.6511 -1.1387 -1.1387
0.3085 0.3085 0.3085 0.3085 1.1861 1.1861 1.2956 1.2956
1.2956 1.2956 2.4633 2.4633 2.4952 2.4952 2.4952 2.4952
6.5315 6.5315 6.5315 6.5315 6.6245 6.6245 8.1179 8.1179
8.1179 8.1179 12.6180 12.6180 12.6416 12.6416
k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev):
-19.3010 -19.3010 -16.9961 -16.9961 -16.9926 -16.9926 -16.9926 -16.9926
-4.4100 -4.4100 -3.6511 -3.6511 -3.6511 -3.6511 -1.1387 -1.1387
0.3085 0.3085 0.3085 0.3085 1.1861 1.1861 1.2956 1.2956
1.2956 1.2956 2.4633 2.4633 2.4952 2.4952 2.4952 2.4952
6.5315 6.5315 6.5315 6.5315 6.6245 6.6245 8.1179 8.1179
8.1179 8.1179 12.6180 12.6180 12.6416 12.6416
k = 0.4907 0.5000 0.4907 ( 2916 PWs) bands (ev):
-19.3011 -19.3011 -16.9962 -16.9962 -16.9928 -16.9928 -16.9926 -16.9926
-4.4096 -4.4096 -3.6508 -3.6508 -3.6505 -3.6505 -1.1379 -1.1379
0.3086 0.3086 0.3087 0.3087 1.1859 1.1859 1.2950 1.2950
1.2957 1.2957 2.4628 2.4628 2.4945 2.4945 2.4948 2.4948
6.5310 6.5310 6.5312 6.5312 6.6240 6.6240 8.1160 8.1160
8.1172 8.1172 12.6198 12.6198 12.6427 12.6427
k = 0.4815 0.5000 0.4815 ( 2936 PWs) bands (ev):
-19.3012 -19.3012 -16.9965 -16.9965 -16.9931 -16.9931 -16.9925 -16.9925
-4.4083 -4.4083 -3.6497 -3.6497 -3.6484 -3.6484 -1.1352 -1.1352
0.3088 0.3088 0.3096 0.3096 1.1855 1.1855 1.2931 1.2931
1.2960 1.2960 2.4612 2.4612 2.4925 2.4925 2.4937 2.4937
6.5296 6.5296 6.5302 6.5302 6.6228 6.6228 8.1109 8.1109
8.1155 8.1155 12.6245 12.6245 12.6465 12.6465
k = 0.4722 0.5000 0.4722 ( 2940 PWs) bands (ev):
-19.3014 -19.3014 -16.9970 -16.9970 -16.9936 -16.9936 -16.9923 -16.9923
-4.4062 -4.4062 -3.6478 -3.6478 -3.6450 -3.6450 -1.1308 -1.1308
0.3092 0.3092 0.3110 0.3110 1.1848 1.1848 1.2902 1.2902
1.2966 1.2966 2.4585 2.4585 2.4892 2.4892 2.4919 2.4919
6.5274 6.5274 6.5289 6.5289 6.6211 6.6211 8.1026 8.1026
8.1126 8.1126 12.6307 12.6307 12.6544 12.6544
k = 0.4630 0.5000 0.4630 ( 2940 PWs) bands (ev):
-19.3016 -19.3016 -16.9980 -16.9980 -16.9940 -16.9940 -16.9919 -16.9919
-4.4033 -4.4033 -3.6453 -3.6453 -3.6402 -3.6402 -1.1247 -1.1247
0.3099 0.3099 0.3130 0.3130 1.1836 1.1836 1.2864 1.2864
1.2974 1.2974 2.4547 2.4547 2.4847 2.4847 2.4896 2.4896
6.5243 6.5243 6.5270 6.5270 6.6186 6.6186 8.0911 8.0911
8.1087 8.1087 12.6367 12.6367 12.6678 12.6678
k = 0.4537 0.5000 0.4537 ( 2940 PWs) bands (ev):
-19.3019 -19.3019 -16.9996 -16.9996 -16.9943 -16.9943 -16.9914 -16.9914
-4.3996 -4.3996 -3.6420 -3.6420 -3.6342 -3.6342 -1.1168 -1.1168
0.3107 0.3107 0.3155 0.3155 1.1817 1.1817 1.2819 1.2819
1.2985 1.2985 2.4496 2.4496 2.4790 2.4790 2.4866 2.4866
6.5203 6.5203 6.5246 6.5246 6.6155 6.6155 8.0763 8.0763
8.1037 8.1037 12.6423 12.6423 12.6869 12.6869
k = 0.4444 0.5000 0.4444 ( 2944 PWs) bands (ev):
-19.3023 -19.3023 -17.0018 -17.0018 -16.9945 -16.9945 -16.9908 -16.9908
-4.3951 -4.3951 -3.6379 -3.6379 -3.6268 -3.6268 -1.1072 -1.1072
0.3117 0.3117 0.3186 0.3186 1.1790 1.1790 1.2770 1.2770
1.2999 1.2999 2.4433 2.4433 2.4722 2.4722 2.4832 2.4832
6.5154 6.5154 6.5217 6.5217 6.6117 6.6117 8.0585 8.0585
8.0976 8.0976 12.6478 12.6478 12.7110 12.7110
k = 0.4352 0.5000 0.4352 ( 2944 PWs) bands (ev):
-19.3027 -19.3027 -17.0044 -17.0044 -16.9948 -16.9948 -16.9899 -16.9899
-4.3898 -4.3898 -3.6332 -3.6332 -3.6182 -3.6182 -1.0960 -1.0960
0.3129 0.3129 0.3221 0.3221 1.1750 1.1750 1.2722 1.2722
1.3016 1.3016 2.4355 2.4355 2.4645 2.4645 2.4794 2.4794
6.5097 6.5097 6.5183 6.5183 6.6074 6.6074 8.0377 8.0377
8.0903 8.0903 12.6535 12.6535 12.7396 12.7396
k = 0.4259 0.5000 0.4259 ( 2944 PWs) bands (ev):
-19.3033 -19.3033 -17.0074 -17.0074 -16.9950 -16.9950 -16.9889 -16.9889
-4.3839 -4.3839 -3.6279 -3.6279 -3.6083 -3.6083 -1.0832 -1.0832
0.3143 0.3143 0.3262 0.3262 1.1694 1.1694 1.2678 1.2678
1.3036 1.3036 2.4264 2.4264 2.4559 2.4559 2.4751 2.4751
6.5030 6.5030 6.5145 6.5145 6.6025 6.6025 8.0140 8.0140
8.0820 8.0820 12.6594 12.6594 12.7723 12.7723
k = 0.4167 0.5000 0.4167 ( 2940 PWs) bands (ev):
-19.3038 -19.3038 -17.0108 -17.0108 -16.9952 -16.9952 -16.9877 -16.9877
-4.3772 -4.3772 -3.6218 -3.6218 -3.5974 -3.5974 -1.0688 -1.0688
0.3160 0.3160 0.3308 0.3308 1.1620 1.1620 1.2644 1.2644
1.3060 1.3060 2.4160 2.4160 2.4466 2.4466 2.4705 2.4705
6.4955 6.4955 6.5101 6.5101 6.5970 6.5970 7.9877 7.9877
8.0727 8.0727 12.6655 12.6655 12.8089 12.8089
k = 0.4074 0.5000 0.4074 ( 2940 PWs) bands (ev):
-19.3045 -19.3045 -17.0146 -17.0146 -16.9954 -16.9954 -16.9864 -16.9864
-4.3700 -4.3700 -3.6151 -3.6151 -3.5853 -3.5853 -1.0529 -1.0529
0.3179 0.3179 0.3357 0.3357 1.1526 1.1526 1.2620 1.2620
1.3088 1.3088 2.4042 2.4042 2.4366 2.4366 2.4654 2.4654
6.4871 6.4871 6.5053 6.5053 6.5911 6.5911 7.9587 7.9587
8.0622 8.0622 12.6715 12.6715 12.8490 12.8490
k = 0.3981 0.5000 0.3981 ( 2946 PWs) bands (ev):
-19.3053 -19.3053 -17.0188 -17.0188 -16.9956 -16.9956 -16.9850 -16.9850
-4.3621 -4.3621 -3.6078 -3.6078 -3.5722 -3.5722 -1.0356 -1.0356
0.3200 0.3200 0.3411 0.3411 1.1413 1.1413 1.2609 1.2609
1.3121 1.3121 2.3911 2.3911 2.4260 2.4260 2.4599 2.4599
6.4777 6.4777 6.5001 6.5001 6.5847 6.5847 7.9274 7.9274
8.0507 8.0507 12.6776 12.6776 12.8924 12.8924
k = 0.3889 0.5000 0.3889 ( 2954 PWs) bands (ev):
-19.3061 -19.3061 -17.0233 -17.0233 -16.9958 -16.9958 -16.9834 -16.9834
-4.3538 -4.3538 -3.5999 -3.5999 -3.5582 -3.5582 -1.0169 -1.0169
0.3223 0.3223 0.3468 0.3468 1.1284 1.1284 1.2609 1.2609
1.3159 1.3159 2.3770 2.3770 2.4149 2.4149 2.4540 2.4540
6.4675 6.4675 6.4944 6.4944 6.5778 6.5778 7.8938 7.8938
8.0381 8.0381 12.6833 12.6833 12.9385 12.9385
k = 0.3796 0.5000 0.3796 ( 2950 PWs) bands (ev):
-19.3070 -19.3070 -17.0281 -17.0281 -16.9960 -16.9960 -16.9817 -16.9817
-4.3449 -4.3449 -3.5914 -3.5914 -3.5433 -3.5433 -0.9969 -0.9969
0.3249 0.3249 0.3529 0.3529 1.1140 1.1140 1.2620 1.2620
1.3203 1.3203 2.3618 2.3618 2.4033 2.4033 2.4477 2.4477
6.4565 6.4565 6.4884 6.4884 6.5707 6.5707 7.8581 7.8581
8.0245 8.0245 12.6887 12.6887 12.9866 12.9866
k = 0.3704 0.5000 0.3704 ( 2950 PWs) bands (ev):
-19.3079 -19.3079 -17.0332 -17.0332 -16.9962 -16.9962 -16.9799 -16.9799
-4.3356 -4.3356 -3.5824 -3.5824 -3.5277 -3.5277 -0.9758 -0.9758
0.3278 0.3278 0.3593 0.3593 1.0986 1.0986 1.2639 1.2639
1.3254 1.3254 2.3457 2.3457 2.3912 2.3912 2.4409 2.4409
6.4445 6.4445 6.4820 6.4820 6.5632 6.5632 7.8205 7.8205
8.0099 8.0099 12.6936 12.6936 13.0352 13.0352
k = 0.3611 0.5000 0.3611 ( 2942 PWs) bands (ev):
-19.3090 -19.3090 -17.0386 -17.0386 -16.9963 -16.9963 -16.9780 -16.9780
-4.3258 -4.3258 -3.5729 -3.5729 -3.5114 -3.5114 -0.9534 -0.9534
0.3310 0.3310 0.3659 0.3659 1.0824 1.0824 1.2666 1.2666
1.3312 1.3312 2.3290 2.3290 2.3788 2.3788 2.4336 2.4336
6.4318 6.4318 6.4754 6.4754 6.5554 6.5554 7.7812 7.7812
7.9943 7.9943 12.6978 12.6978 13.0831 13.0831
k = 0.3519 0.5000 0.3519 ( 2942 PWs) bands (ev):
-19.3101 -19.3101 -17.0443 -17.0443 -16.9963 -16.9963 -16.9760 -16.9760
-4.3158 -4.3158 -3.5629 -3.5629 -3.4945 -3.4945 -0.9301 -0.9301
0.3344 0.3344 0.3727 0.3727 1.0659 1.0659 1.2699 1.2699
1.3377 1.3377 2.3116 2.3116 2.3659 2.3659 2.4258 2.4258
6.4182 6.4182 6.4683 6.4683 6.5474 6.5474 7.7403 7.7403
7.9777 7.9777 12.7012 12.7012 13.1298 13.1298
k = 0.3426 0.5000 0.3426 ( 2948 PWs) bands (ev):
-19.3113 -19.3113 -17.0502 -17.0502 -16.9963 -16.9963 -16.9739 -16.9739
-4.3055 -4.3055 -3.5525 -3.5525 -3.4772 -3.4772 -0.9058 -0.9058
0.3381 0.3381 0.3796 0.3796 1.0492 1.0492 1.2737 1.2737
1.3451 1.3451 2.2937 2.2937 2.3527 2.3527 2.4174 2.4174
6.4038 6.4038 6.4610 6.4610 6.5391 6.5391 7.6979 7.6979
7.9602 7.9602 12.7036 12.7036 13.1746 13.1746
k = 0.3333 0.5000 0.3333 ( 2944 PWs) bands (ev):
-19.3126 -19.3126 -17.0564 -17.0564 -16.9963 -16.9963 -16.9717 -16.9717
-4.2949 -4.2949 -3.5417 -3.5417 -3.4596 -3.4596 -0.8807 -0.8807
0.3421 0.3421 0.3867 0.3867 1.0326 1.0326 1.2779 1.2779
1.3534 1.3534 2.2756 2.2756 2.3392 2.3392 2.4086 2.4086
6.3887 6.3887 6.4535 6.4535 6.5307 6.5307 7.6543 7.6543
7.9417 7.9417 12.7051 12.7051 13.2168 13.2168
k = 0.3241 0.5000 0.3241 ( 2940 PWs) bands (ev):
-19.3139 -19.3139 -17.0627 -17.0627 -16.9961 -16.9961 -16.9695 -16.9695
-4.2841 -4.2841 -3.5305 -3.5305 -3.4417 -3.4417 -0.8548 -0.8548
0.3463 0.3463 0.3937 0.3937 1.0165 1.0165 1.2826 1.2826
1.3628 1.3628 2.2572 2.2572 2.3254 2.3254 2.3992 2.3992
6.3729 6.3729 6.4458 6.4458 6.5221 6.5221 7.6096 7.6096
7.9223 7.9223 12.7054 12.7054 13.2556 13.2556
k = 0.3148 0.5000 0.3148 ( 2940 PWs) bands (ev):
-19.3153 -19.3153 -17.0692 -17.0692 -16.9959 -16.9959 -16.9672 -16.9672
-4.2732 -4.2732 -3.5190 -3.5190 -3.4238 -3.4238 -0.8282 -0.8282
0.3508 0.3508 0.4008 0.4008 1.0011 1.0011 1.2876 1.2876
1.3731 1.3731 2.2387 2.2387 2.3113 2.3113 2.3892 2.3892
6.3564 6.3564 6.4379 6.4379 6.5134 6.5134 7.5639 7.5639
7.9020 7.9020 12.7046 12.7046 13.2900 13.2900
k = 0.3056 0.5000 0.3056 ( 2932 PWs) bands (ev):
-19.3168 -19.3168 -17.0759 -17.0759 -16.9957 -16.9957 -16.9647 -16.9647
-4.2623 -4.2623 -3.5072 -3.5072 -3.4059 -3.4059 -0.8012 -0.8012
0.3556 0.3556 0.4078 0.4078 0.9867 0.9867 1.2929 1.2929
1.3844 1.3844 2.2203 2.2203 2.2969 2.2969 2.3787 2.3787
6.3392 6.3392 6.4298 6.4298 6.5046 6.5046 7.5175 7.5175
7.8809 7.8809 12.7026 12.7026 13.3192 13.3192
k = 0.2963 0.5000 0.2963 ( 2932 PWs) bands (ev):
-19.3184 -19.3184 -17.0826 -17.0826 -16.9953 -16.9953 -16.9623 -16.9623
-4.2513 -4.2513 -3.4952 -3.4952 -3.3881 -3.3881 -0.7737 -0.7737
0.3605 0.3605 0.4147 0.4147 0.9734 0.9734 1.2986 1.2986
1.3969 1.3969 2.2021 2.2021 2.2822 2.2822 2.3676 2.3676
6.3215 6.3215 6.4216 6.4216 6.4957 6.4957 7.4704 7.4704
7.8589 7.8589 12.6994 12.6994 13.3423 13.3423
k = 0.2870 0.5000 0.2870 ( 2932 PWs) bands (ev):
-19.3200 -19.3200 -17.0895 -17.0895 -16.9948 -16.9948 -16.9598 -16.9598
-4.2403 -4.2403 -3.4829 -3.4829 -3.3707 -3.3707 -0.7459 -0.7459
0.3657 0.3657 0.4214 0.4214 0.9614 0.9614 1.3047 1.3047
1.4105 1.4105 2.1842 2.1842 2.2673 2.2673 2.3559 2.3559
6.3031 6.3031 6.4133 6.4133 6.4867 6.4867 7.4229 7.4229
7.8362 7.8362 12.6950 12.6950 13.3585 13.3585
k = 0.2778 0.5000 0.2778 ( 2932 PWs) bands (ev):
-19.3217 -19.3217 -17.0965 -17.0965 -16.9943 -16.9943 -16.9573 -16.9573
-4.2293 -4.2293 -3.4705 -3.4705 -3.3536 -3.3536 -0.7178 -0.7178
0.3710 0.3710 0.4278 0.4278 0.9511 0.9511 1.3111 1.3111
1.4252 1.4252 2.1667 2.1667 2.2521 2.2521 2.3437 2.3437
6.2843 6.2843 6.4049 6.4049 6.4778 6.4778 7.3749 7.3749
7.8127 7.8127 12.6894 12.6894 13.3674 13.3674
k = 0.2685 0.5000 0.2685 ( 2928 PWs) bands (ev):
-19.3235 -19.3235 -17.1035 -17.1035 -16.9937 -16.9937 -16.9547 -16.9547
-4.2185 -4.2185 -3.4580 -3.4580 -3.3370 -3.3370 -0.6897 -0.6897
0.3765 0.3765 0.4340 0.4340 0.9425 0.9425 1.3180 1.3180
1.4410 1.4410 2.1497 2.1497 2.2367 2.2367 2.3308 2.3308
6.2651 6.2651 6.3965 6.3965 6.4688 6.4688 7.3268 7.3268
7.7886 7.7886 12.6826 12.6826 13.3687 13.3687
k = 0.2593 0.5000 0.2593 ( 2920 PWs) bands (ev):
-19.3252 -19.3252 -17.1106 -17.1106 -16.9930 -16.9930 -16.9521 -16.9521
-4.2078 -4.2078 -3.4454 -3.4454 -3.3210 -3.3210 -0.6615 -0.6615
0.3821 0.3821 0.4398 0.4398 0.9359 0.9359 1.3252 1.3252
1.4580 1.4580 2.1333 2.1333 2.2210 2.2210 2.3174 2.3174
6.2454 6.2454 6.3882 6.3882 6.4599 6.4599 7.2788 7.2788
7.7638 7.7638 12.6748 12.6748 13.3622 13.3622
k = 0.2500 0.5000 0.2500 ( 2916 PWs) bands (ev):
-19.3271 -19.3271 -17.1177 -17.1177 -16.9922 -16.9922 -16.9495 -16.9495
-4.1973 -4.1973 -3.4328 -3.4328 -3.3056 -3.3056 -0.6334 -0.6334
0.3877 0.3877 0.4452 0.4452 0.9313 0.9313 1.3329 1.3329
1.4761 1.4761 2.1177 2.1177 2.2051 2.2051 2.3034 2.3034
6.2255 6.2255 6.3798 6.3798 6.4511 6.4511 7.2307 7.2307
7.7385 7.7385 12.6660 12.6660 13.3481 13.3481
k = 0.2407 0.5000 0.2407 ( 2916 PWs) bands (ev):
-19.3290 -19.3290 -17.1248 -17.1248 -16.9913 -16.9913 -16.9469 -16.9469
-4.1870 -4.1870 -3.4203 -3.4203 -3.2911 -3.2911 -0.6055 -0.6055
0.3934 0.3934 0.4502 0.4502 0.9289 0.9289 1.3411 1.3411
1.4953 1.4953 2.1028 2.1028 2.1889 2.1889 2.2887 2.2887
6.2053 6.2053 6.3715 6.3715 6.4423 6.4423 7.1829 7.1829
7.7126 7.7126 12.6562 12.6562 13.3270 13.3270
k = 0.2315 0.5000 0.2315 ( 2914 PWs) bands (ev):
-19.3309 -19.3309 -17.1318 -17.1318 -16.9903 -16.9903 -16.9443 -16.9443
-4.1770 -4.1770 -3.4078 -3.4078 -3.2773 -3.2773 -0.5778 -0.5778
0.3990 0.3990 0.4547 0.4547 0.9287 0.9287 1.3497 1.3497
1.5156 1.5156 2.0888 2.0888 2.1724 2.1724 2.2735 2.2735
6.1848 6.1848 6.3633 6.3633 6.4336 6.4336 7.1355 7.1355
7.6863 7.6863 12.6456 12.6456 13.2993 13.2993
k = 0.2222 0.5000 0.2222 ( 2914 PWs) bands (ev):
-19.3328 -19.3328 -17.1387 -17.1387 -16.9893 -16.9893 -16.9418 -16.9418
-4.1672 -4.1672 -3.3954 -3.3954 -3.2645 -3.2645 -0.5505 -0.5505
0.4045 0.4045 0.4587 0.4587 0.9309 0.9309 1.3588 1.3588
1.5369 1.5369 2.0757 2.0757 2.1557 2.1557 2.2577 2.2577
6.1641 6.1641 6.3552 6.3552 6.4250 6.4250 7.0886 7.0886
7.6596 7.6596 12.6343 12.6343 13.2659 13.2659
k = 0.2130 0.5000 0.2130 ( 2926 PWs) bands (ev):
-19.3348 -19.3348 -17.1456 -17.1456 -16.9881 -16.9881 -16.9392 -16.9392
-4.1578 -4.1578 -3.3832 -3.3832 -3.2525 -3.2525 -0.5236 -0.5236
0.4098 0.4098 0.4622 0.4622 0.9354 0.9354 1.3685 1.3685
1.5591 1.5591 2.0636 2.0636 2.1386 2.1386 2.2413 2.2413
6.1434 6.1434 6.3472 6.3472 6.4166 6.4166 7.0422 7.0422
7.6326 7.6326 12.6224 12.6224 13.2275 13.2275
k = 0.2037 0.5000 0.2037 ( 2920 PWs) bands (ev):
-19.3367 -19.3367 -17.1524 -17.1524 -16.9870 -16.9870 -16.9367 -16.9367
-4.1488 -4.1488 -3.3711 -3.3711 -3.2414 -3.2414 -0.4971 -0.4971
0.4150 0.4150 0.4651 0.4651 0.9423 0.9423 1.3787 1.3787
1.5823 1.5823 2.0524 2.0524 2.1213 2.1213 2.2244 2.2244
6.1227 6.1227 6.3393 6.3393 6.4084 6.4084 6.9967 6.9967
7.6055 7.6055 12.6100 12.6100 13.1849 13.1849
k = 0.1944 0.5000 0.1944 ( 2920 PWs) bands (ev):
-19.3387 -19.3387 -17.1590 -17.1590 -16.9857 -16.9857 -16.9342 -16.9342
-4.1401 -4.1401 -3.3594 -3.3594 -3.2313 -3.2313 -0.4713 -0.4713
0.4200 0.4200 0.4675 0.4675 0.9516 0.9516 1.3895 1.3895
1.6062 1.6062 2.0422 2.0422 2.1038 2.1038 2.2069 2.2069
6.1021 6.1021 6.3317 6.3317 6.4003 6.4003 6.9521 6.9521
7.5783 7.5783 12.5971 12.5971 13.1390 13.1390
k = 0.1852 0.5000 0.1852 ( 2920 PWs) bands (ev):
-19.3407 -19.3407 -17.1655 -17.1655 -16.9844 -16.9844 -16.9318 -16.9318
-4.1318 -4.1318 -3.3479 -3.3479 -3.2221 -3.2221 -0.4460 -0.4460
0.4247 0.4247 0.4694 0.4694 0.9632 0.9632 1.4009 1.4009
1.6307 1.6307 2.0328 2.0328 2.0860 2.0860 2.1889 2.1889
6.0815 6.0815 6.3243 6.3243 6.3925 6.3925 6.9085 6.9085
7.5510 7.5510 12.5840 12.5840 13.0905 13.0905
k = 0.1759 0.5000 0.1759 ( 2922 PWs) bands (ev):
-19.3426 -19.3426 -17.1718 -17.1718 -16.9831 -16.9831 -16.9294 -16.9294
-4.1239 -4.1239 -3.3368 -3.3368 -3.2138 -3.2138 -0.4214 -0.4214
0.4290 0.4290 0.4708 0.4708 0.9771 0.9771 1.4128 1.4128
1.6559 1.6559 2.0242 2.0242 2.0683 2.0683 2.1704 2.1704
6.0611 6.0611 6.3171 6.3171 6.3849 6.3849 6.8662 6.8662
7.5239 7.5239 12.5708 12.5708 13.0401 13.0401
k = 0.1667 0.5000 0.1667 ( 2922 PWs) bands (ev):
-19.3445 -19.3445 -17.1780 -17.1780 -16.9818 -16.9818 -16.9271 -16.9271
-4.1165 -4.1165 -3.3261 -3.3261 -3.2063 -3.2063 -0.3976 -0.3976
0.4331 0.4331 0.4717 0.4717 0.9930 0.9930 1.4254 1.4254
1.6814 1.6814 2.0159 2.0159 2.0508 2.0508 2.1514 2.1514
6.0411 6.0411 6.3101 6.3101 6.3775 6.3775 6.8251 6.8251
7.4971 7.4971 12.5575 12.5575 12.9887 12.9887
k = 0.1574 0.5000 0.1574 ( 2922 PWs) bands (ev):
-19.3464 -19.3464 -17.1839 -17.1839 -16.9804 -16.9804 -16.9249 -16.9249
-4.1095 -4.1095 -3.3159 -3.3159 -3.1997 -3.1997 -0.3745 -0.3745
0.4367 0.4367 0.4721 0.4721 1.0111 1.0111 1.4385 1.4385
1.7072 1.7072 2.0069 2.0069 2.0346 2.0346 2.1320 2.1320
6.0214 6.0214 6.3034 6.3034 6.3704 6.3704 6.7854 6.7854
7.4706 7.4706 12.5442 12.5442 12.9367 12.9367
k = 0.1481 0.5000 0.1481 ( 2922 PWs) bands (ev):
-19.3482 -19.3482 -17.1895 -17.1895 -16.9790 -16.9790 -16.9228 -16.9228
-4.1029 -4.1029 -3.3061 -3.3061 -3.1938 -3.1938 -0.3523 -0.3523
0.4400 0.4400 0.4720 0.4720 1.0310 1.0310 1.4522 1.4522
1.7330 1.7330 1.9953 1.9953 2.0216 2.0216 2.1121 2.1121
6.0022 6.0022 6.2970 6.2970 6.3636 6.3636 6.7472 6.7472
7.4446 7.4446 12.5311 12.5311 12.8848 12.8848
k = 0.1389 0.5000 0.1389 ( 2926 PWs) bands (ev):
-19.3500 -19.3500 -17.1950 -17.1950 -16.9777 -16.9777 -16.9207 -16.9207
-4.0969 -4.0969 -3.2969 -3.2969 -3.1885 -3.1885 -0.3310 -0.3310
0.4428 0.4428 0.4716 0.4716 1.0526 1.0526 1.4666 1.4666
1.7587 1.7587 1.9796 1.9796 2.0131 2.0131 2.0918 2.0918
5.9835 5.9835 6.2909 6.2909 6.3570 6.3570 6.7108 6.7108
7.4193 7.4193 12.5183 12.5183 12.8335 12.8335
k = 0.1296 0.5000 0.1296 ( 2918 PWs) bands (ev):
-19.3517 -19.3517 -17.2001 -17.2001 -16.9763 -16.9763 -16.9187 -16.9187
-4.0912 -4.0912 -3.2883 -3.2883 -3.1839 -3.1839 -0.3107 -0.3107
0.4452 0.4452 0.4709 0.4709 1.0757 1.0757 1.4815 1.4815
1.7841 1.7841 1.9611 1.9611 2.0078 2.0078 2.0712 2.0712
5.9654 5.9654 6.2852 6.2852 6.3509 6.3509 6.6761 6.6761
7.3947 7.3947 12.5059 12.5059 12.7833 12.7833
k = 0.1204 0.5000 0.1204 ( 2918 PWs) bands (ev):
-19.3534 -19.3534 -17.2050 -17.2050 -16.9750 -16.9750 -16.9169 -16.9169
-4.0860 -4.0860 -3.2802 -3.2802 -3.1798 -3.1798 -0.2914 -0.2914
0.4472 0.4472 0.4699 0.4699 1.1002 1.1002 1.4970 1.4970
1.8089 1.8089 1.9413 1.9413 2.0043 2.0043 2.0503 2.0503
5.9480 5.9480 6.2797 6.2797 6.3449 6.3449 6.6433 6.6433
7.3710 7.3710 12.4939 12.4939 12.7346 12.7346
k = 0.1111 0.5000 0.1111 ( 2914 PWs) bands (ev):
-19.3549 -19.3549 -17.2096 -17.2096 -16.9737 -16.9737 -16.9151 -16.9151
-4.0813 -4.0813 -3.2728 -3.2728 -3.1762 -3.1762 -0.2731 -0.2731
0.4488 0.4488 0.4688 0.4688 1.1258 1.1258 1.5130 1.5130
1.8329 1.8329 1.9208 1.9208 2.0017 2.0017 2.0293 2.0293
5.9314 5.9314 6.2747 6.2747 6.3393 6.3393 6.6126 6.6126
7.3484 7.3484 12.4825 12.4825 12.6878 12.6878
k = 0.1019 0.5000 0.1019 ( 2914 PWs) bands (ev):
-19.3564 -19.3564 -17.2139 -17.2139 -16.9725 -16.9725 -16.9135 -16.9135
-4.0770 -4.0770 -3.2661 -3.2661 -3.1730 -3.1730 -0.2560 -0.2560
0.4501 0.4501 0.4675 0.4675 1.1523 1.1523 1.5296 1.5296
1.8557 1.8557 1.8999 1.8999 1.9987 1.9987 2.0094 2.0094
5.9157 5.9157 6.2699 6.2699 6.3340 6.3340 6.5840 6.5840
7.3269 7.3269 12.4717 12.4717 12.6435 12.6435
k = 0.0926 0.5000 0.0926 ( 2918 PWs) bands (ev):
-19.3578 -19.3578 -17.2178 -17.2178 -16.9714 -16.9714 -16.9120 -16.9120
-4.0732 -4.0732 -3.2601 -3.2601 -3.1701 -3.1701 -0.2401 -0.2401
0.4509 0.4509 0.4661 0.4661 1.1793 1.1793 1.5466 1.5466
1.8731 1.8731 1.8828 1.8828 1.9842 1.9842 2.0016 2.0016
5.9010 5.9010 6.2656 6.2656 6.3291 6.3291 6.5575 6.5575
7.3067 7.3067 12.4616 12.4616 12.6017 12.6017
k = 0.0833 0.5000 0.0833 ( 2918 PWs) bands (ev):
-19.3590 -19.3590 -17.2214 -17.2214 -16.9703 -16.9703 -16.9106 -16.9106
-4.0697 -4.0697 -3.2547 -3.2547 -3.1676 -3.1676 -0.2254 -0.2254
0.4513 0.4513 0.4647 0.4647 1.2067 1.2067 1.5641 1.5641
1.8557 1.8557 1.8989 1.8989 1.9632 1.9632 2.0008 2.0008
5.8874 5.8874 6.2616 6.2616 6.3244 6.3244 6.5335 6.5335
7.2880 7.2880 12.4523 12.4523 12.5630 12.5630
k = 0.0741 0.5000 0.0741 ( 2916 PWs) bands (ev):
-19.3602 -19.3602 -17.2247 -17.2247 -16.9693 -16.9693 -16.9094 -16.9094
-4.0667 -4.0667 -3.2500 -3.2500 -3.1653 -3.1653 -0.2121 -0.2121
0.4515 0.4515 0.4634 0.4634 1.2340 1.2340 1.5819 1.5819
1.8344 1.8344 1.9165 1.9165 1.9423 1.9423 2.0010 2.0010
5.8749 5.8749 6.2581 6.2581 6.3202 6.3202 6.5118 6.5118
7.2709 7.2709 12.4438 12.4438 12.5276 12.5276
k = 0.0648 0.5000 0.0648 ( 2908 PWs) bands (ev):
-19.3612 -19.3612 -17.2275 -17.2275 -16.9684 -16.9684 -16.9083 -16.9083
-4.0641 -4.0641 -3.2460 -3.2460 -3.1632 -3.1632 -0.2001 -0.2001
0.4514 0.4514 0.4623 0.4623 1.2608 1.2608 1.5999 1.5999
1.8134 1.8134 1.9170 1.9170 1.9366 1.9366 2.0019 2.0019
5.8637 5.8637 6.2549 6.2549 6.3163 6.3163 6.4926 6.4926
7.2556 7.2556 12.4361 12.4361 12.4958 12.4958
k = 0.0556 0.5000 0.0556 ( 2904 PWs) bands (ev):
-19.3621 -19.3621 -17.2301 -17.2301 -16.9676 -16.9676 -16.9073 -16.9073
-4.0618 -4.0618 -3.2427 -3.2427 -3.1614 -3.1614 -0.1896 -0.1896
0.4511 0.4511 0.4613 0.4613 1.2868 1.2868 1.6180 1.6180
1.7932 1.7932 1.8965 1.8965 1.9496 1.9496 2.0034 2.0034
5.8538 5.8538 6.2522 6.2522 6.3128 6.3128 6.4760 6.4760
7.2420 7.2420 12.4294 12.4294 12.4677 12.4677
k = 0.0463 0.5000 0.0463 ( 2908 PWs) bands (ev):
-19.3629 -19.3629 -17.2322 -17.2322 -16.9669 -16.9669 -16.9064 -16.9064
-4.0600 -4.0600 -3.2399 -3.2399 -3.1599 -3.1599 -0.1806 -0.1806
0.4506 0.4506 0.4604 0.4604 1.3112 1.3112 1.6357 1.6357
1.7744 1.7744 1.8752 1.8752 1.9611 1.9611 2.0054 2.0054
5.8453 5.8453 6.2498 6.2498 6.3096 6.3096 6.4619 6.4619
7.2303 7.2303 12.4235 12.4235 12.4438 12.4438
k = 0.0370 0.5000 0.0370 ( 2900 PWs) bands (ev):
-19.3635 -19.3635 -17.2340 -17.2340 -16.9663 -16.9663 -16.9058 -16.9058
-4.0585 -4.0585 -3.2377 -3.2377 -3.1585 -3.1585 -0.1731 -0.1731
0.4501 0.4501 0.4598 0.4598 1.3334 1.3334 1.6525 1.6525
1.7582 1.7582 1.8542 1.8542 1.9700 1.9700 2.0080 2.0080
5.8382 5.8382 6.2479 6.2479 6.3070 6.3070 6.4504 6.4504
7.2206 7.2206 12.4178 12.4178 12.4247 12.4247
k = 0.0278 0.5000 0.0278 ( 2904 PWs) bands (ev):
-19.3640 -19.3640 -17.2354 -17.2354 -16.9659 -16.9659 -16.9052 -16.9052
-4.0573 -4.0573 -3.2360 -3.2360 -3.1575 -3.1575 -0.1672 -0.1672
0.4496 0.4496 0.4593 0.4593 1.3525 1.3525 1.6670 1.6670
1.7464 1.7464 1.8339 1.8339 1.9763 1.9763 2.0110 2.0110
5.8326 5.8326 6.2464 6.2464 6.3049 6.3049 6.4414 6.4414
7.2130 7.2130 12.4069 12.4069 12.4162 12.4162
k = 0.0185 0.5000 0.0185 ( 2904 PWs) bands (ev):
-19.3644 -19.3644 -17.2364 -17.2364 -16.9655 -16.9655 -16.9048 -16.9048
-4.0565 -4.0565 -3.2349 -3.2349 -3.1567 -3.1567 -0.1630 -0.1630
0.4492 0.4492 0.4589 0.4589 1.3673 1.3673 1.6769 1.6769
1.7413 1.7413 1.8152 1.8152 1.9803 1.9803 2.0137 2.0137
5.8286 5.8286 6.2453 6.2453 6.3033 6.3033 6.4351 6.4351
7.2075 7.2075 12.3961 12.3961 12.4131 12.4131
k = 0.0093 0.5000 0.0093 ( 2906 PWs) bands (ev):
-19.3646 -19.3646 -17.2370 -17.2370 -16.9653 -16.9653 -16.9046 -16.9046
-4.0560 -4.0560 -3.2342 -3.2342 -3.1563 -3.1563 -0.1605 -0.1605
0.4490 0.4490 0.4587 0.4587 1.3768 1.3768 1.6812 1.6812
1.7433 1.7433 1.8000 1.8000 1.9824 1.9824 2.0156 2.0156
5.8262 5.8262 6.2446 6.2446 6.3023 6.3023 6.4313 6.4313
7.2042 7.2042 12.3894 12.3894 12.4114 12.4114
k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev):
-19.3647 -19.3647 -17.2372 -17.2372 -16.9653 -16.9653 -16.9045 -16.9045
-4.0558 -4.0558 -3.2340 -3.2340 -3.1561 -3.1561 -0.1596 -0.1596
0.4489 0.4489 0.4586 0.4586 1.3801 1.3801 1.6821 1.6821
1.7460 1.7460 1.7934 1.7934 1.9831 1.9831 2.0163 2.0163
5.8254 5.8254 6.2444 6.2444 6.3020 6.3020 6.4300 6.4300
7.2031 7.2031 12.3871 12.3871 12.4109 12.4109
k = 0.5000 0.5000-0.0000 ( 2968 PWs) bands (ev):
-19.3209 -19.3209 -17.0638 -17.0638 -17.0063 -17.0063 -17.0042 -17.0042
-4.1658 -4.1658 -3.4317 -3.4317 -3.1422 -3.1422 -0.6880 -0.6880
0.3017 0.3017 0.5532 0.5532 0.7301 0.7301 1.4534 1.4534
1.4564 1.4564 1.9607 1.9607 1.9663 1.9663 2.4690 2.4690
6.2436 6.2436 6.3024 6.3024 6.5591 6.5591 6.7256 6.7256
8.1171 8.1171 12.7784 12.7784 14.1306 14.1306
k = 0.5000 0.5000 0.0132 ( 2944 PWs) bands (ev):
-19.3209 -19.3209 -17.0637 -17.0637 -17.0063 -17.0063 -17.0041 -17.0041
-4.1662 -4.1662 -3.4321 -3.4321 -3.1432 -3.1432 -0.6886 -0.6886
0.3017 0.3017 0.5546 0.5546 0.7290 0.7290 1.4529 1.4529
1.4556 1.4556 1.9620 1.9620 1.9674 1.9674 2.4690 2.4690
6.2443 6.2443 6.3030 6.3030 6.5591 6.5591 6.7282 6.7282
8.1171 8.1171 12.7782 12.7782 14.1332 14.1332
k = 0.5000 0.5000 0.0263 ( 2928 PWs) bands (ev):
-19.3207 -19.3207 -17.0633 -17.0633 -17.0062 -17.0062 -17.0041 -17.0041
-4.1674 -4.1674 -3.4333 -3.4333 -3.1464 -3.1464 -0.6904 -0.6904
0.3018 0.3018 0.5588 0.5588 0.7255 0.7255 1.4516 1.4516
1.4534 1.4534 1.9659 1.9659 1.9706 1.9706 2.4691 2.4691
6.2458 6.2458 6.3044 6.3044 6.5593 6.5593 6.7359 6.7359
8.1172 8.1172 12.7776 12.7776 14.1409 14.1409
k = 0.5000 0.5000 0.0395 ( 2920 PWs) bands (ev):
-19.3206 -19.3206 -17.0627 -17.0627 -17.0061 -17.0061 -17.0040 -17.0040
-4.1695 -4.1695 -3.4352 -3.4352 -3.1517 -3.1517 -0.6933 -0.6933
0.3018 0.3018 0.5657 0.5657 0.7197 0.7197 1.4493 1.4493
1.4497 1.4497 1.9722 1.9722 1.9758 1.9758 2.4693 2.4693
6.2483 6.2483 6.3065 6.3065 6.5595 6.5595 6.7486 6.7486
8.1173 8.1173 12.7767 12.7767 14.1536 14.1536
k = 0.5000 0.5000 0.0526 ( 2920 PWs) bands (ev):
-19.3203 -19.3203 -17.0619 -17.0619 -17.0060 -17.0060 -17.0038 -17.0038
-4.1723 -4.1723 -3.4380 -3.4380 -3.1590 -3.1590 -0.6975 -0.6975
0.3019 0.3019 0.5752 0.5752 0.7118 0.7118 1.4446 1.4446
1.4463 1.4463 1.9808 1.9808 1.9831 1.9831 2.4695 2.4695
6.2516 6.2516 6.3095 6.3095 6.5597 6.5597 6.7662 6.7662
8.1173 8.1173 12.7754 12.7754 14.1715 14.1715
k = 0.5000 0.5000 0.0658 ( 2928 PWs) bands (ev):
-19.3200 -19.3200 -17.0609 -17.0609 -17.0058 -17.0058 -17.0037 -17.0037
-4.1759 -4.1759 -3.4414 -3.4414 -3.1683 -3.1683 -0.7028 -0.7028
0.3020 0.3020 0.5873 0.5873 0.7018 0.7018 1.4384 1.4384
1.4425 1.4425 1.9915 1.9915 1.9922 1.9922 2.4697 2.4697
6.2558 6.2558 6.3133 6.3133 6.5600 6.5600 6.7885 6.7885
8.1173 8.1173 12.7738 12.7738 14.1945 14.1945
k = 0.5000 0.5000 0.0789 ( 2928 PWs) bands (ev):
-19.3197 -19.3197 -17.0596 -17.0596 -17.0056 -17.0056 -17.0035 -17.0035
-4.1802 -4.1802 -3.4456 -3.4456 -3.1794 -3.1794 -0.7093 -0.7093
0.3022 0.3022 0.6018 0.6018 0.6900 0.6900 1.4313 1.4313
1.4380 1.4380 2.0030 2.0030 2.0042 2.0042 2.4700 2.4700
6.2610 6.2610 6.3179 6.3179 6.5603 6.5603 6.8154 6.8154
8.1173 8.1173 12.7718 12.7718 14.2226 14.2226
k = 0.5000 0.5000 0.0921 ( 2936 PWs) bands (ev):
-19.3193 -19.3193 -17.0582 -17.0582 -17.0054 -17.0054 -17.0032 -17.0032
-4.1853 -4.1853 -3.4505 -3.4505 -3.1922 -3.1922 -0.7170 -0.7170
0.3023 0.3023 0.6186 0.6186 0.6765 0.6765 1.4232 1.4232
1.4330 1.4330 2.0155 2.0155 2.0186 2.0186 2.4703 2.4703
6.2669 6.2669 6.3232 6.3232 6.5607 6.5607 6.8467 6.8467
8.1173 8.1173 12.7694 12.7694 14.2557 14.2557
k = 0.5000 0.5000 0.1053 ( 2936 PWs) bands (ev):
-19.3188 -19.3188 -17.0565 -17.0565 -17.0051 -17.0051 -17.0029 -17.0029
-4.1911 -4.1911 -3.4560 -3.4560 -3.2066 -3.2066 -0.7259 -0.7259
0.3025 0.3025 0.6375 0.6375 0.6614 0.6614 1.4146 1.4146
1.4275 1.4275 2.0294 2.0294 2.0345 2.0345 2.4707 2.4707
6.2736 6.2736 6.3293 6.3293 6.5612 6.5612 6.8821 6.8821
8.1173 8.1173 12.7666 12.7666 14.2939 14.2939
k = 0.5000 0.5000 0.1184 ( 2936 PWs) bands (ev):
-19.3183 -19.3183 -17.0547 -17.0547 -17.0048 -17.0048 -17.0026 -17.0026
-4.1975 -4.1975 -3.4621 -3.4621 -3.2224 -3.2224 -0.7360 -0.7360
0.3027 0.3027 0.6452 0.6452 0.6583 0.6583 1.4055 1.4055
1.4217 1.4217 2.0446 2.0446 2.0517 2.0517 2.4712 2.4712
6.2810 6.2810 6.3361 6.3361 6.5617 6.5617 6.9212 6.9212
8.1173 8.1173 12.7636 12.7636 14.3371 14.3371
k = 0.5000 0.5000 0.1316 ( 2936 PWs) bands (ev):
-19.3177 -19.3177 -17.0526 -17.0526 -17.0045 -17.0045 -17.0023 -17.0023
-4.2045 -4.2045 -3.4687 -3.4687 -3.2395 -3.2395 -0.7472 -0.7472
0.3029 0.3029 0.6279 0.6279 0.6809 0.6809 1.3960 1.3960
1.4155 1.4155 2.0611 2.0611 2.0701 2.0701 2.4716 2.4716
6.2892 6.2892 6.3436 6.3436 6.5623 6.5623 6.9639 6.9639
8.1173 8.1173 12.7601 12.7601 14.2599 14.2599
k = 0.5000 0.5000 0.1447 ( 2924 PWs) bands (ev):
-19.3171 -19.3171 -17.0505 -17.0505 -17.0041 -17.0041 -17.0019 -17.0019
-4.2121 -4.2121 -3.4759 -3.4759 -3.2577 -3.2577 -0.7595 -0.7595
0.3031 0.3031 0.6099 0.6099 0.7050 0.7050 1.3863 1.3863
1.4092 1.4092 2.0785 2.0785 2.0893 2.0893 2.4722 2.4722
6.2980 6.2980 6.3517 6.3517 6.5630 6.5630 7.0098 7.0098
8.1173 8.1173 12.7564 12.7564 14.1649 14.1649
k = 0.5000 0.5000 0.1579 ( 2932 PWs) bands (ev):
-19.3164 -19.3164 -17.0481 -17.0481 -17.0037 -17.0037 -17.0015 -17.0015
-4.2202 -4.2202 -3.4835 -3.4835 -3.2768 -3.2768 -0.7729 -0.7729
0.3033 0.3033 0.5912 0.5912 0.7304 0.7304 1.3765 1.3765
1.4027 1.4027 2.0968 2.0968 2.1094 2.1094 2.4727 2.4727
6.3073 6.3073 6.3603 6.3603 6.5638 6.5638 7.0584 7.0584
8.1173 8.1173 12.7523 12.7523 14.0705 14.0705
k = 0.5000 0.5000 0.1711 ( 2936 PWs) bands (ev):
-19.3157 -19.3157 -17.0457 -17.0457 -17.0033 -17.0033 -17.0011 -17.0011
-4.2288 -4.2288 -3.4915 -3.4915 -3.2966 -3.2966 -0.7873 -0.7873
0.3036 0.3036 0.5723 0.5723 0.7570 0.7570 1.3667 1.3667
1.3961 1.3961 2.1158 2.1158 2.1300 2.1300 2.4733 2.4733
6.3171 6.3171 6.3694 6.3694 6.5646 6.5646 7.1093 7.1093
8.1173 8.1173 12.7479 12.7479 13.9773 13.9773
k = 0.5000 0.5000 0.1842 ( 2932 PWs) bands (ev):
-19.3150 -19.3150 -17.0431 -17.0431 -17.0029 -17.0029 -17.0007 -17.0007
-4.2378 -4.2378 -3.4998 -3.4998 -3.3171 -3.3171 -0.8026 -0.8026
0.3038 0.3038 0.5532 0.5532 0.7844 0.7844 1.3569 1.3569
1.3895 1.3895 2.1354 2.1354 2.1511 2.1511 2.4739 2.4739
6.3275 6.3275 6.3790 6.3790 6.5656 6.5656 7.1623 7.1623
8.1173 8.1173 12.7433 12.7433 13.8854 13.8854
k = 0.5000 0.5000 0.1974 ( 2924 PWs) bands (ev):
-19.3142 -19.3142 -17.0404 -17.0404 -17.0024 -17.0024 -17.0003 -17.0003
-4.2471 -4.2471 -3.5084 -3.5084 -3.3379 -3.3379 -0.8189 -0.8189
0.3041 0.3041 0.5342 0.5342 0.8125 0.8125 1.3474 1.3474
1.3829 1.3829 2.1554 2.1554 2.1724 2.1724 2.4746 2.4746
6.3382 6.3382 6.3889 6.3889 6.5667 6.5667 7.2170 7.2170
8.1174 8.1174 12.7383 12.7383 13.7953 13.7953
k = 0.5000 0.5000 0.2105 ( 2940 PWs) bands (ev):
-19.3134 -19.3134 -17.0377 -17.0377 -17.0020 -17.0020 -16.9998 -16.9998
-4.2567 -4.2567 -3.5173 -3.5173 -3.3590 -3.3590 -0.8359 -0.8359
0.3044 0.3044 0.5155 0.5155 0.8410 0.8410 1.3380 1.3380
1.3764 1.3764 2.1757 2.1757 2.1939 2.1939 2.4752 2.4752
6.3492 6.3492 6.3990 6.3990 6.5678 6.5678 7.2728 7.2728
8.1174 8.1174 12.7331 12.7331 13.7072 13.7072
k = 0.5000 0.5000 0.2237 ( 2932 PWs) bands (ev):
-19.3126 -19.3126 -17.0348 -17.0348 -17.0015 -17.0015 -16.9993 -16.9993
-4.2665 -4.2665 -3.5262 -3.5262 -3.3802 -3.3802 -0.8537 -0.8537
0.3046 0.3046 0.4973 0.4973 0.8698 0.8698 1.3289 1.3289
1.3700 1.3700 2.1962 2.1962 2.2155 2.2155 2.4759 2.4759
6.3606 6.3606 6.4094 6.4094 6.5691 6.5691 7.3296 7.3296
8.1174 8.1174 12.7276 12.7276 13.6213 13.6213
k = 0.5000 0.5000 0.2368 ( 2932 PWs) bands (ev):
-19.3118 -19.3118 -17.0320 -17.0320 -17.0011 -17.0011 -16.9989 -16.9989
-4.2765 -4.2765 -3.5353 -3.5353 -3.4014 -3.4014 -0.8720 -0.8720
0.3049 0.3049 0.4795 0.4795 0.8986 0.8986 1.3202 1.3202
1.3638 1.3638 2.2168 2.2168 2.2369 2.2369 2.4766 2.4766
6.3721 6.3721 6.4199 6.4199 6.5705 6.5705 7.3868 7.3868
8.1174 8.1174 12.7220 12.7220 13.5379 13.5380
k = 0.5000 0.5000 0.2500 ( 2940 PWs) bands (ev):
-19.3110 -19.3110 -17.0291 -17.0291 -17.0006 -17.0006 -16.9984 -16.9984
-4.2865 -4.2865 -3.5443 -3.5443 -3.4223 -3.4223 -0.8908 -0.8908
0.3052 0.3052 0.4624 0.4624 0.9271 0.9271 1.3118 1.3118
1.3577 1.3577 2.2372 2.2372 2.2581 2.2581 2.4774 2.4774
6.3838 6.3838 6.4303 6.4303 6.5720 6.5720 7.4440 7.4440
8.1174 8.1174 12.7162 12.7162 13.4572 13.4572
k = 0.5000 0.5000 0.2632 ( 2936 PWs) bands (ev):
-19.3102 -19.3102 -17.0262 -17.0262 -17.0001 -17.0001 -16.9979 -16.9979
-4.2966 -4.2966 -3.5534 -3.5534 -3.4429 -3.4429 -0.9099 -0.9099
0.3055 0.3055 0.4462 0.4462 0.9553 0.9553 1.3039 1.3039
1.3518 1.3518 2.2574 2.2574 2.2790 2.2790 2.4781 2.4781
6.3955 6.3955 6.4407 6.4407 6.5738 6.5738 7.5009 7.5009
8.1174 8.1174 12.7102 12.7102 13.3795 13.3795
k = 0.5000 0.5000 0.2763 ( 2944 PWs) bands (ev):
-19.3094 -19.3094 -17.0233 -17.0233 -16.9997 -16.9997 -16.9975 -16.9975
-4.3066 -4.3066 -3.5623 -3.5623 -3.4630 -3.4630 -0.9292 -0.9292
0.3057 0.3057 0.4307 0.4307 0.9828 0.9828 1.2965 1.2965
1.3461 1.3461 2.2773 2.2773 2.2995 2.2995 2.4788 2.4788
6.4073 6.4073 6.4509 6.4509 6.5757 6.5757 7.5571 7.5571
8.1175 8.1175 12.7041 12.7041 13.3030 13.3031
k = 0.5000 0.5000 0.2895 ( 2944 PWs) bands (ev):
-19.3086 -19.3086 -17.0205 -17.0205 -16.9992 -16.9992 -16.9970 -16.9970
-4.3166 -4.3166 -3.5711 -3.5711 -3.4825 -3.4825 -0.9485 -0.9485
0.3060 0.3060 0.4162 0.4162 1.0094 1.0094 1.2897 1.2897
1.3406 1.3406 2.2967 2.2967 2.3194 2.3194 2.4796 2.4796
6.4189 6.4189 6.4608 6.4608 6.5779 6.5779 7.6123 7.6123
8.1175 8.1175 12.6980 12.6980 13.2300 13.2300
k = 0.5000 0.5000 0.3026 ( 2952 PWs) bands (ev):
-19.3078 -19.3078 -17.0178 -17.0178 -16.9987 -16.9987 -16.9965 -16.9965
-4.3263 -4.3263 -3.5796 -3.5796 -3.5014 -3.5014 -0.9676 -0.9676
0.3062 0.3062 0.4026 0.4026 1.0350 1.0350 1.2835 1.2835
1.3354 1.3354 2.3156 2.3156 2.3386 2.3386 2.4803 2.4803
6.4303 6.4303 6.4702 6.4702 6.5803 6.5803 7.6662 7.6662
8.1175 8.1175 12.6919 12.6919 13.1604 13.1604
k = 0.5000 0.5000 0.3158 ( 2944 PWs) bands (ev):
-19.3070 -19.3070 -17.0151 -17.0151 -16.9983 -16.9983 -16.9961 -16.9961
-4.3358 -4.3358 -3.5879 -3.5879 -3.5194 -3.5194 -0.9864 -0.9864
0.3065 0.3065 0.3899 0.3899 1.0593 1.0593 1.2780 1.2780
1.3305 1.3305 2.3338 2.3338 2.3571 2.3571 2.4811 2.4811
6.4416 6.4416 6.4791 6.4791 6.5831 6.5831 7.7183 7.7183
8.1175 8.1175 12.6857 12.6857 13.0944 13.0944
k = 0.5000 0.5000 0.3289 ( 2944 PWs) bands (ev):
-19.3063 -19.3063 -17.0125 -17.0125 -16.9978 -16.9978 -16.9957 -16.9957
-4.3449 -4.3449 -3.5959 -3.5959 -3.5366 -3.5366 -1.0048 -1.0048
0.3067 0.3067 0.3782 0.3782 1.0820 1.0820 1.2733 1.2733
1.3259 1.3259 2.3511 2.3511 2.3748 2.3748 2.4819 2.4819
6.4525 6.4525 6.4874 6.4874 6.5861 6.5861 7.7684 7.7684
8.1175 8.1175 12.6797 12.6797 13.0323 13.0323
k = 0.5000 0.5000 0.3421 ( 2944 PWs) bands (ev):
-19.3056 -19.3056 -17.0100 -17.0100 -16.9974 -16.9974 -16.9953 -16.9953
-4.3537 -4.3537 -3.6034 -3.6034 -3.5527 -3.5527 -1.0225 -1.0225
0.3070 0.3070 0.3675 0.3675 1.1030 1.1030 1.2697 1.2697
1.3215 1.3215 2.3676 2.3676 2.3915 2.3915 2.4827 2.4827
6.4629 6.4629 6.4950 6.4950 6.5894 6.5894 7.8162 7.8162
8.1175 8.1175 12.6738 12.6738 12.9742 12.9742
k = 0.5000 0.5000 0.3553 ( 2944 PWs) bands (ev):
-19.3049 -19.3049 -17.0077 -17.0077 -16.9970 -16.9970 -16.9949 -16.9949
-4.3620 -4.3620 -3.6106 -3.6106 -3.5679 -3.5679 -1.0394 -1.0394
0.3072 0.3072 0.3577 0.3577 1.1218 1.1218 1.2671 1.2671
1.3175 1.3175 2.3830 2.3830 2.4072 2.4072 2.4836 2.4836
6.4729 6.4729 6.5017 6.5017 6.5930 6.5930 7.8613 7.8613
8.1175 8.1175 12.6681 12.6681 12.9202 12.9202
k = 0.5000 0.5000 0.3684 ( 2940 PWs) bands (ev):
-19.3043 -19.3043 -17.0055 -17.0055 -16.9966 -16.9966 -16.9945 -16.9945
-4.3698 -4.3698 -3.6173 -3.6173 -3.5819 -3.5819 -1.0554 -1.0554
0.3074 0.3074 0.3489 0.3489 1.1383 1.1383 1.2659 1.2659
1.3137 1.3137 2.3973 2.3973 2.4218 2.4218 2.4844 2.4844
6.4823 6.4823 6.5077 6.5077 6.5969 6.5969 7.9034 7.9034
8.1176 8.1176 12.6625 12.6625 12.8704 12.8704
k = 0.5000 0.5000 0.3816 ( 2940 PWs) bands (ev):
-19.3037 -19.3037 -17.0035 -17.0035 -16.9962 -16.9962 -16.9942 -16.9942
-4.3771 -4.3771 -3.6235 -3.6235 -3.5947 -3.5947 -1.0703 -1.0703
0.3076 0.3076 0.3410 0.3410 1.1520 1.1520 1.2662 1.2662
1.3103 1.3103 2.4103 2.4103 2.4353 2.4353 2.4854 2.4854
6.4911 6.4911 6.5128 6.5128 6.6008 6.6008 7.9425 7.9425
8.1176 8.1176 12.6573 12.6573 12.8250 12.8250
k = 0.5000 0.5000 0.3947 ( 2936 PWs) bands (ev):
-19.3032 -19.3032 -17.0017 -17.0017 -16.9957 -16.9957 -16.9939 -16.9939
-4.3837 -4.3837 -3.6291 -3.6291 -3.6063 -3.6063 -1.0840 -1.0840
0.3077 0.3077 0.3340 0.3340 1.1630 1.1630 1.2681 1.2681
1.3073 1.3073 2.4221 2.4221 2.4475 2.4475 2.4864 2.4864
6.4991 6.4991 6.5172 6.5172 6.6048 6.6048 7.9780 7.9780
8.1176 8.1176 12.6523 12.6523 12.7842 12.7842
k = 0.5000 0.5000 0.4079 ( 2936 PWs) bands (ev):
-19.3027 -19.3027 -17.0002 -17.0002 -16.9953 -16.9953 -16.9936 -16.9936
-4.3897 -4.3897 -3.6341 -3.6341 -3.6167 -3.6167 -1.0964 -1.0964
0.3079 0.3079 0.3279 0.3279 1.1712 1.1712 1.2715 1.2715
1.3046 1.3046 2.4324 2.4324 2.4585 2.4585 2.4875 2.4875
6.5064 6.5064 6.5209 6.5209 6.6087 6.6087 8.0099 8.0099
8.1177 8.1177 12.6477 12.6477 12.7480 12.7480
k = 0.5000 0.5000 0.4211 ( 2936 PWs) bands (ev):
-19.3023 -19.3023 -16.9989 -16.9989 -16.9949 -16.9949 -16.9933 -16.9933
-4.3949 -4.3949 -3.6386 -3.6386 -3.6258 -3.6258 -1.1073 -1.1073
0.3080 0.3080 0.3227 0.3227 1.1770 1.1770 1.2758 1.2758
1.3022 1.3022 2.4412 2.4412 2.4680 2.4680 2.4888 2.4888
6.5128 6.5128 6.5239 6.5239 6.6124 6.6124 8.0379 8.0379
8.1177 8.1177 12.6434 12.6434 12.7166 12.7166
k = 0.5000 0.5000 0.4342 ( 2936 PWs) bands (ev):
-19.3019 -19.3019 -16.9979 -16.9979 -16.9944 -16.9944 -16.9931 -16.9931
-4.3995 -4.3995 -3.6424 -3.6424 -3.6335 -3.6335 -1.1168 -1.1168
0.3082 0.3082 0.3183 0.3183 1.1808 1.1808 1.2807 1.2807
1.3002 1.3002 2.4484 2.4484 2.4762 2.4762 2.4901 2.4901
6.5184 6.5184 6.5263 6.5263 6.6158 6.6158 8.0620 8.0620
8.1177 8.1177 12.6392 12.6392 12.6904 12.6904
k = 0.5000 0.5000 0.4474 ( 2936 PWs) bands (ev):
-19.3016 -19.3016 -16.9972 -16.9972 -16.9939 -16.9939 -16.9930 -16.9930
-4.4032 -4.4032 -3.6455 -3.6455 -3.6398 -3.6398 -1.1246 -1.1246
0.3083 0.3083 0.3147 0.3147 1.1832 1.1832 1.2855 1.2855
1.2985 1.2985 2.4541 2.4541 2.4830 2.4830 2.4915 2.4915
6.5230 6.5230 6.5282 6.5282 6.6187 6.6187 8.0819 8.0819
8.1177 8.1177 12.6349 12.6349 12.6696 12.6696
k = 0.5000 0.5000 0.4605 ( 2936 PWs) bands (ev):
-19.3014 -19.3014 -16.9967 -16.9967 -16.9934 -16.9934 -16.9928 -16.9928
-4.4062 -4.4062 -3.6480 -3.6480 -3.6448 -3.6448 -1.1308 -1.1308
0.3083 0.3083 0.3119 0.3119 1.1847 1.1847 1.2896 1.2896
1.2972 1.2972 2.4583 2.4583 2.4883 2.4883 2.4929 2.4929
6.5266 6.5266 6.5296 6.5296 6.6211 6.6211 8.0975 8.0975
8.1177 8.1177 12.6300 12.6300 12.6549 12.6549
k = 0.5000 0.5000 0.4737 ( 2928 PWs) bands (ev):
-19.3012 -19.3012 -16.9964 -16.9964 -16.9930 -16.9930 -16.9927 -16.9927
-4.4083 -4.4083 -3.6497 -3.6497 -3.6483 -3.6483 -1.1352 -1.1352
0.3084 0.3084 0.3100 0.3100 1.1855 1.1855 1.2929 1.2929
1.2963 1.2963 2.4611 2.4611 2.4921 2.4921 2.4941 2.4941
6.5292 6.5292 6.5306 6.5306 6.6229 6.6229 8.1087 8.1087
8.1177 8.1177 12.6244 12.6244 12.6465 12.6465
k = 0.5000 0.5000 0.4868 ( 2912 PWs) bands (ev):
-19.3011 -19.3011 -16.9962 -16.9962 -16.9927 -16.9927 -16.9926 -16.9926
-4.4096 -4.4096 -3.6508 -3.6508 -3.6504 -3.6504 -1.1379 -1.1379
0.3085 0.3085 0.3088 0.3088 1.1859 1.1859 1.2949 1.2949
1.2958 1.2958 2.4628 2.4628 2.4944 2.4944 2.4949 2.4949
6.5308 6.5308 6.5313 6.5313 6.6240 6.6240 8.1155 8.1155
8.1178 8.1178 12.6198 12.6198 12.6427 12.6427
k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev):
-19.3010 -19.3010 -16.9961 -16.9961 -16.9926 -16.9926 -16.9926 -16.9926
-4.4100 -4.4100 -3.6511 -3.6511 -3.6511 -3.6511 -1.1387 -1.1387
0.3085 0.3085 0.3085 0.3085 1.1861 1.1861 1.2956 1.2956
1.2956 1.2956 2.4633 2.4633 2.4952 2.4952 2.4952 2.4952
6.5315 6.5315 6.5315 6.5315 6.6245 6.6245 8.1179 8.1179
8.1179 8.1179 12.6180 12.6180 12.6416 12.6416
Writing output data file RbFeF3.save
init_run : 0.22s CPU 0.40s WALL ( 1 calls)
electrons : 76.70s CPU 78.53s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.04s WALL ( 1 calls)
potinit : 0.01s CPU 0.06s WALL ( 1 calls)
Called by electrons:
c_bands : 76.70s CPU 78.53s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.00s WALL ( 1 calls)
newd : 0.04s CPU 0.06s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.02s CPU 0.03s WALL ( 294 calls)
cegterg : 70.65s CPU 72.01s WALL ( 478 calls)
Called by sum_band:
Called by *egterg:
h_psi : 31.89s CPU 32.92s WALL ( 7624 calls)
s_psi : 2.39s CPU 2.37s WALL ( 7624 calls)
g_psi : 0.07s CPU 0.12s WALL ( 6852 calls)
cdiaghg : 33.45s CPU 33.62s WALL ( 7146 calls)
cegterg:over : 2.83s CPU 2.86s WALL ( 6852 calls)
cegterg:upda : 1.82s CPU 2.01s WALL ( 6852 calls)
cegterg:last : 1.34s CPU 1.37s WALL ( 1066 calls)
cdiaghg:chol : 1.65s CPU 1.79s WALL ( 7146 calls)
cdiaghg:inve : 1.01s CPU 1.01s WALL ( 7146 calls)
cdiaghg:para : 1.82s CPU 1.98s WALL ( 14292 calls)
Called by h_psi:
h_psi:vloc : 26.46s CPU 27.39s WALL ( 7624 calls)
h_psi:vnl : 5.29s CPU 5.41s WALL ( 7624 calls)
add_vuspsi : 2.58s CPU 2.72s WALL ( 7624 calls)
General routines
calbec : 2.68s CPU 2.67s WALL ( 7624 calls)
fft : 0.00s CPU 0.01s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 24.57s CPU 25.40s WALL ( 572916 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.14s CPU 0.18s WALL ( 588 calls)
Parallel routines
fft_scatter : 12.39s CPU 12.95s WALL ( 572939 calls)
PWSCF : 1m28.54s CPU 1m39.96s WALL
This run was terminated on: 18: 0:10 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=