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 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100304/71da5ec6/attachment.htm>