[Pw_forum] QE v4.3.2 failed to read the input file of v4.3

[Layla Martin-Samos]

Dear Jorg and Lilonghua I just have tested the example Jorg sent, and I did
not find any input error with 4.3.2. Boh! I do not know! Can you send the
output with the exact error message?

thank you for your collaboration

Layla

2011/8/16 Jörg Buchwald <joerg.buchwald at iom-leipzig.de>

> Hi,
> i have the same problem (with the same error message) with v4.3.2, with
> v4.3.1 it works fine.
>
> here my input file:
>
> --
>
>  &control
>    calculation='vc-relax'
>    prefix='silicon-vanderbilt',
>    pseudo_dir='/home/joerg/espresso-4.3.1/pseudo'
>    outdir = '/home/joerg/scratch',
>    tstress=.true.
>    disk_io='none'
>  /
>  &system
>    ibrav=  8, celldm(1) =10.33425, celldm(2)=1.0, celldm(3)=10.00,
>  nat=  80, ntyp= 1, ecutwfc = 55.0
>  /
>  &electrons
>    diagonalization='david'
>    mixing_mode='plain'
>  /
>  &ions
>  /
>  &cell
>  /
> ATOMIC_SPECIES
>  Si  28.086  Si.pbe-n-van.UPF
> ATOMIC_POSITIONS
>  Si 0.00 0.00 0.00
>  Si 0.25 0.25 0.25
>  Si 0.50 0.50 0.00
>  Si 0.75 0.75 0.25
>  Si 0.50 0.00 0.50
>  Si 0.75 0.25 0.75
>  Si 0.00 0.50 0.50
>  Si 0.25 0.75 0.75
>  Si 0.00 0.00 1.00
>  Si 0.25 0.25 1.25
>  Si 0.50 0.50 1.00
>  Si 0.75 0.75 1.25
>  Si 0.50 0.00 1.50
>  Si 0.75 0.25 1.75
>  Si 0.00 0.50 1.50
>  Si 0.25 0.75 1.75
>  Si 0.00 0.00 2.00
>  Si 0.25 0.25 2.25
>  Si 0.50 0.50 2.00
>  Si 0.75 0.75 2.25
>  Si 0.50 0.00 2.50
>  Si 0.75 0.25 2.75
>  Si 0.00 0.50 2.50
>  Si 0.25 0.75 2.75
>  Si 0.00 0.00 3.00
>  Si 0.25 0.25 3.25
>  Si 0.50 0.50 3.00
>  Si 0.75 0.75 3.25
>  Si 0.50 0.00 3.50
>  Si 0.75 0.25 3.75
>  Si 0.00 0.50 3.50
>  Si 0.25 0.75 3.75
>  Si 0.00 0.00 4.0
>  Si 0.25 0.25 4.25
>  Si 0.50 0.50 4.00
>  Si 0.75 0.75 4.25
>  Si 0.50 0.00 4.50
>  Si 0.75 0.25 4.75
>  Si 0.00 0.50 4.50
>  Si 0.25 0.75 4.75
>  Si 0.00 0.00 5.0
>  Si 0.25 0.25 5.25
>  Si 0.50 0.50 5.00
>  Si 0.75 0.75 5.25
>  Si 0.50 0.00 5.50
>  Si 0.75 0.25 5.75
>  Si 0.00 0.50 5.50
>  Si 0.25 0.75 5.75
>  Si 0.00 0.00 6.0
>  Si 0.25 0.25 6.25
>  Si 0.50 0.50 6.00
>  Si 0.75 0.75 6.25
>  Si 0.50 0.00 6.50
>  Si 0.75 0.25 6.75
>  Si 0.00 0.50 6.50
>  Si 0.25 0.75 6.75
>  Si 0.00 0.00 7.0
>  Si 0.25 0.25 7.25
>  Si 0.50 0.50 7.00
>  Si 0.75 0.75 7.25
>  Si 0.50 0.00 7.50
>  Si 0.75 0.25 7.75
>  Si 0.00 0.50 7.50
>  Si 0.25 0.75 7.75
>  Si 0.00 0.00 8.0
>  Si 0.25 0.25 8.25
>  Si 0.50 0.50 8.00
>  Si 0.75 0.75 8.25
>  Si 0.50 0.00 8.50
>  Si 0.75 0.25 8.75
>  Si 0.00 0.50 8.50
>  Si 0.25 0.75 8.75
>  Si 0.00 0.00 9.0
>  Si 0.25 0.25 9.25
>  Si 0.50 0.50 9.00
>  Si 0.75 0.75 9.25
>  Si 0.50 0.00 9.50
>  Si 0.75 0.25 9.75
>  Si 0.00 0.50 9.50
>  Si 0.25 0.75 9.75
> K_POINTS automatic
>  7 7 7 0 0 0
> ---
> Best,
> Jörg Buchwald
>
>
> --
> Jörg Buchwald
> Leibniz-Institut fuer Oberflaechenmodifizierung e.V.
> Permoserstrasse 15
> 04318 Leipzig
> GERMANY
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