[Pw_forum] inconsistent number of sticks
Silviu Zilberman
silviu at Princeton.EDU
Fri Jan 7 23:12:11 CET 2005
Problem solved. The messege implys a problem in my mesh size.
Sorry for the bandwidth.
Silviu.
Silviu Zilberman wrote:
> 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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