Dear users,
I have a quick question to ask - if I wish to perform epsilon.x in investigating the optical properties, is it not the right choice to use the ultrasoft, but with the norm-conserving pseudopotential when running the scf calculation instead? Best, Geoffrey +--------------------------------------------------------------------------- -- H.Y Geoffrey Tse, Postdoctoral, Room N202, Physics Building Peking University Haidian District Beijing 100871 P.R China Tel: (+86) 18811792348 Email: geoffrey.tse at pku.edu.cn +--------------------------------------------------------------------------- -- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140509/4b033c5b/attachment.html
