[Pw_forum] the code for pwscf to castep

Wei Zhou zdw2000 at gmail.com
Tue Mar 9 15:11:33 CET 2010


hello users

-- http://www2.tcm.phy.cam.ac.uk/onetep/Main/Utilities
there are a code which can translate the castep pseudo potential to pwscf ,
however I found the effect does not good, for the same pseudo the castep and
pwscf can not give the same lattic parameters, the author also said the ussp
of castep to pwscf does not test accurately, so if somebody have interests
about it ,he can inverstigate the source code and change it to more
accurate.

ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100309/99534fdc/attachment.htm 


More information about the Pw_forum mailing list