[Pw_forum] regarding input file of QE code

[Surender]

Hi,

I can't reproduce your error, but I am using xcrysden-1.5.53-bin-semishared.
Surender

> hello QE and xcrysden user
> i am opening my input file with xcrysden but xcrysden not open my input
> file . but output file is open with it. when i open my input file  this
> error information occur
>
> at line 327 of file  pwi2xsf.f
> fortran run time error: End of file
>
> i installed XCrySDen-1.5.24-bin-semishared in my laptop. my input file is
> this
>
> &control
>     calculation = 'relax'
>     restart_mode='from_scratch',
>     prefix='mg2si',
>     tstress= .true.,
>     tprnfor = .true.
>     pseudo_dir = '.'
>     outdir='temp'
>  /
> &system
>     ibrav=  2,
>    celldm(1) =11.9996976,
>    nat= 3,
>    ntyp= 2,
>     ecutwfc =45.D0,
>     ecutrho=250.D0,
>  /
> &electrons
>  conv_thr    = 1.D-8
>   mixing_mode = 'plain',
>   mixing_beta = 0.5D0
>   diagonalization= 'cg'
>  /
> &IONS
>                  ion_dynamics= 'bfgs'
>
> /
> ATOMIC_SPECIES
> Mg 24.30 Mg.pbe-mt_fhi.UPF
> Si 28.08 Si.pbe-mt_fhi.UPF
> K_POINTS (automatic)
>  4 4 4 1 1 1
>
> ATOMIC_POSITIONS (alat)
> Si  0.000000      0.000000   0.00000000   0  0  0
> Mg  0.250000      0.250000   0.25000000   1  1  1
> Mg  0.250000      0.250000    0.7500000   1  1  1
>
> plz tell me where is problem in my input file?
> --
> Regards
> kulwinder kaur
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