[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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