Hi,
  C/a, Volume optimization performed for Monoclinic structure (Ta-doped
Hafnia). Obtained the EOS (equation of state), Bulk modulus values (from
case.outputeos) but where to get the optimized lattice parameters value of
monoclinic cell.

Regards,
A. Kumar
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to