Dera, Q-E users, Does anybody know or aware of any local pseudopotential (no non-local part) for Si that can be used in Q-E? I only need to do Si crystal, and the "old-fashion" local PP can simplify my study.
I found one in this link http://www.princeton.edu/mae/people/faculty/carter/homepage/research/local-pseudopotentials/ . It is generated by using FHI98PP, but it cannot be directly converted to UPF due to a wrong format. I can get the local potential read and written, however, no core charge is written. Does anyone have suggestions to avoid the core charge (seems not working in test), or add the core charge back into the PP file? Thanks in advance. Yuning Wu -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130529/f53b14c4/attachment.html
