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

[Layla Martin-Samos]

Thank you very much! Lilonghua! I think that the problem is related with the
"home-made and too simple" parser that we now use for dumping the input
file!

I'll work on improving it!

thank you very much for reporting bugs! and helping us improving ESPRESSO.

Layla

2011/8/17 lilonghua <foursea at 163.com>

> Dear Layla,
>
> Sorry to reply so late. Although I have solve this problem by decreasing
> the character length (<79) of each line, I am glad to attach the input that
> cause the problem, if you are interest to this problem:
>
>  &control
>    calculation = 'scf'
>    restart_mode='from_scratch',
>    prefix='silicon',
>    pseudo_dir = '$PSEUDO_DIR/',
>    outdir='./tmp'
>
>  /
>  &system
>    ibrav=  2, celldm(1) =10.20, nat=  2, ntyp= 1,
>    ecutwfc =12.0,  nbnd = 8,
>    input_dft='pbe0', nqx1 = 1, nqx2 = 1, nqx3 = 1,
>    exxdiv_treatment='g-b'                               ! gygi-baldereschi,
> yukawa, erfc_simple, vcut_ws, vcut_spheric, none
>    ecutvcut=0.7
>    x_gamma_extrapolation = .true.
>  /
>  &electrons
>    mixing_beta = 0.7
>  /
> ATOMIC_SPECIES
>  Si  28.086  Si.pz-vbc.UPF
> ATOMIC_POSITIONS
>  Si 0.00 0.00 0.00
>  Si 0.25 0.25 0.25
> K_POINTS
>  10
>   0.1250000  0.1250000  0.1250000   1.00
>   0.1250000  0.1250000  0.3750000   3.00
>   0.1250000  0.1250000  0.6250000   3.00
>   0.1250000  0.1250000  0.8750000   3.00
>   0.1250000  0.3750000  0.3750000   3.00
>   0.1250000  0.3750000  0.6250000   6.00
>   0.1250000  0.3750000  0.8750000   6.00
>   0.1250000  0.6250000  0.6250000   3.00
>   0.3750000  0.3750000  0.3750000   1.00
>   0.3750000  0.3750000  0.6250000   3.00
>
>
>
>  Best regards,
> Longhua Li
> 2011-08-17
> foursea at 163.com
> ----------------------------------------
>
>
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