[Pw_forum] inconsistent number of sticks
Silviu Zilberman
silviu at Princeton.EDU
Fri Jan 7 23:00:28 CET 2005
Hi,
I get this FFT related error:
...
* 1 * 7119 /= 7457
* 2 * 7132 /= 7456
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from fft_dlay_set : error # 8
inconsistent number of sticks
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
...
What is the meaning of this error? Below is my input file.
Thanks, Silviu.
-----------------------------------------------------------------------------------------------------------------------
&control
calculation='scf'
pseudo_dir = '/home/lotus/silviu/Work/Pot/',
outdir='/home/lotus/silviu/tmp/DTN_CO_hbond/'
title='Test DTN_CO_hbond gamma only'
prefix='DTN_CO_hbond'
tprnfor=.true.,
etot_conv_thr=1e-8,
forc_conv_thr=1e-6
/
&system
ibrav=1, celldm(1) =25.0, nat=29, ntyp= 6, nbnd=68,
ecutwfc=30.0, nelec=135, ecutrho=300.0,
nr1=128, nr2=128, nr3=128,
nr1s=88, nr2s=88, nr3s=88,
nspin=2, nelup=68, neldw=67, occupations = 'from_input',
starting_magnetization(1)=1.0,
starting_magnetization(2)=0.0,
starting_magnetization(3)=0.0,
starting_magnetization(4)=0.0,
starting_magnetization(5)=0.0,
starting_magnetization(6)=0.0
/
&electrons
diagonalization='davidson',
mixing_mode='plain',
mixing_beta = 0.7,
conv_thr = 1.0d-8
/
ATOMIC_SPECIES
Fe 55.845 fe_PBE.van
S 31.97207070 016-S-gpbe--bm.van
O 15.9994 008-O-gpbe--bm.van
N 14.003074002 007-N-gpbe--bm.van
C 12.0107 006-C-gpbe--bm.van
H 1.0079 001-H-gpbe--bm.van
ATOMIC_POSITIONS {bohr}
Fe 0.85720064E+01 0.11652506E+02 0.12440106E+02
Fe 0.13580956E+02 0.10724365E+02 0.12776464E+02
S 0.11304998E+02 0.13262380E+02 0.15575250E+02
S 0.11532918E+02 0.13073796E+02 0.95542313E+01
S 0.17218271E+02 0.13470868E+02 0.12643983E+02
O 0.15784826E+02 0.79419992E+01 0.16960659E+02
O 0.58108997E+01 0.87424294E+01 0.86775991E+01
O 0.47305178E+01 0.15628119E+02 0.12189682E+02
O 0.10526325E+02 0.61433920E+01 0.12765676E+02
N 0.10943016E+02 0.17636183E+02 0.12431572E+02
N 0.16106110E+02 0.75557380E+01 0.86134922E+01
N 0.54538515E+01 0.92365466E+01 0.16722747E+02
C 0.12029425E+02 0.16521024E+02 0.10191009E+02
C 0.11891356E+02 0.16656483E+02 0.14795836E+02
C 0.15159513E+02 0.87937034E+01 0.10206898E+02
C 0.14947951E+02 0.90915554E+01 0.15258577E+02
C 0.69920627E+01 0.98707589E+01 0.10173031E+02
C 0.67098909E+01 0.10109927E+02 0.15104887E+02
C 0.19986851E+02 0.11413751E+02 0.12591169E+02
C 0.11092972E+02 0.83137246E+01 0.12696193E+02
C 0.63917900E+01 0.14151226E+02 0.12332573E+02
H 0.13960616E+02 0.16898237E+02 0.14860898E+02
H 0.11024086E+02 0.17719845E+02 0.16358428E+02
H 0.90163437E+01 0.17500478E+02 0.12380238E+02
H 0.14100285E+02 0.16755378E+02 0.10240702E+02
H 0.11267336E+02 0.17493751E+02 0.85188871E+01
H 0.21656485E+02 0.12570615E+02 0.12147971E+02
H 0.20295051E+02 0.10501624E+02 0.14434828E+02
H 0.19765371E+02 0.99495688E+01 0.11135089E+02
K_POINTS
1
0.0 0.0 0.0 1.0
OCCUPATIONS
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.0
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