[Wien] optimization !
ben amara imen
imen.benamara5 at gmail.com
Wed Apr 24 15:53:27 CEST 2013
I work on compound which have a spinel crystal structure and I'm trying to
optimize its lattice parameters.
1) I choose some % and I have done 'xoptimiz'
2) then in 'edit optmiz.job' , I have uncommented : *) xdstart-up #c
*) xdstart-dn #c
3) then I run optimiz.job
BUT I have this error !!!!!
error in LAPW1
'INILPW' - can't open unit: 18
'INILPW' - filename: essai.vsp
'INILPW' - status: old form: formatted
'LAPW1' - INILPW aborted unsuccessfully.
Can someone tell me please if my steps that I have done are right??? and
where is the problem
thanks in advance
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