[Pw_forum] ev.x problem with MgO

Sakhrawi Taoufek tsakhrawi at yahoo.com
Sat Dec 1 10:49:34 CET 2012


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???!!!!!!!!
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[***@*** MgO_cc]$ ../../../bin/ev.x 
     Lattice parameter or Volume are in (au, Ang) > 
     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


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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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