[Wien] Birch-Murnaghan equation of state

shamik chakrabarti shamikphy at gmail.com
Thu Mar 4 10:12:43 CET 2010


Dear Peter Blaha Sir,

                               Thank you very much for your reply. My
problem is resolved.

regards,

Shamik Chakrabarti

On Thu, Mar 4, 2010 at 1:20 PM, Peter Blaha <pblaha at theochem.tuwien.ac.at>wrote:

> 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
>>
>>
>>
>> ------------------------------------------------------------------------
>>
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>
> --
>
>                                      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/
> --------------------------------------------------------------------------
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