[Pw_forum] inconsistent number of sticks

[Silviu Zilberman]

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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