[Pw_forum] problem on phonon

bhabya sahoo bdslipun at gmail.com
Sat May 28 14:08:37 CEST 2011


sir
i  used to calculate the phonon calculation on a 4*4*4 grid in cscl phase
but the unstability persists upto 500 gpa
but it is the thermodyanamic stability after 140 gpa  kpoints 24*24*24
what may be reseon i donot know
please help me
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110528/d72e13ef/attachment.htm 


More information about the Pw_forum mailing list