[Pw_forum] ev.x problem with MgO

[Bramha Pandey]

What type of error messages you are obtaining?

On Sat, Dec 1, 2012 at 3:19 PM, Sakhrawi Taoufek <tsakhrawi at yahoo.com>wrote:

> Dear all,
> I try to optimize the lattice parameter of different compounds, i fit with
> ev.x, the problem is that only in the case of compound MgO, it gives me no
> result???!!!!!!!!
> ############################################
> [***@*** MgO_cc]$ ../../../bin/ev.x
>      Lattice parameter or Volume are in (au, Ang) >
>
here you give au or Ang depending on your data file.

>      Enter type of bravais lattice (fcc, bcc, sc, hex) > bcc
>      Enter type of equation of state :
>      1=birch1, 2=birch2, 3=keane, 4=murnaghan > 4
>      Input file > mgo.etot_vs_alat
>
If you are puting write Input file, definitely it will ask for output file
name also.

>
>
> #############################################
> There is any idea??
> any suggestion will be appreciated.
> Thanks
>
> --------------------------------
> Sakhraoui Taoufik
> Ph.D student
> Faculty of Sciences of
>  Monastir
> Department of Physics
> L.M.C.N
> Monastir, Tunisia
> --------------------------------
>
>
>
>
>
>
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-- 
Thanks and Regards
Bramha Prasad Pandey
Indian School of Mines(ISM)
Dhanbad, INDIA.
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