[Wien] pressure dependence study

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Thu Aug 7 21:51:42 CEST 2014


>                    I want to do pressure dependence study. I want to
> attend the presure 10 kbar, 13 kabr etc. I think for that I have
> decrease lattice parameter and optimize the structure. Am I right? But
> in which output file created pressure  will be written?

case.eosfit(b), after having done an equation of state fit through your 
E(V) data points by 'x eosfit'.

Stefaan



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