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 > -------------------------------- > > > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Thanks and Regards Bramha Prasad Pandey Indian School of Mines(ISM) Dhanbad, INDIA. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121201/63dc850e/attachment.html
