[Wien] Birch-Murnaghan equation of state

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Mar 4 08:50:26 CET 2010


Use    eplot_lapw   from the commandline.

or plot  case.eosfitb  with your favorite plotting program.

shamik chakrabarti schrieb:
> Dear Wien2k Users,
> 
>                              After volume optimization if we plot V vs E 
> using different SCF files we get a plot showing fitting of Murnaghan 
> equation of state. If we want to see the plotting for fitting of 
> *Birch-Murnaghan* equation of state what should we do?........we are 
> getting V0 and E0 for both the fitting Murnaghan and Birch-Murnaghan 
> equation of state but the plot showing fitting of only the Murnaghan 
> equation of state. Thanks in advance.
> 
> regards,
> Shamik Chakrabarti
> 
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------


More information about the Wien mailing list