Thank you Ari, Tone, and Giovanni, for your kind responses. May I further ask, is there any situation in which pseudopotential for ghost atoms should be defined? I am confused since a post in this forum talked about this topic. http://qe-forge.org/pipermail/pw_forum/2014-February/103342.html
Francis -- Zhifeng (Francis) Jing Graduate Student in Physical Chemistry School of Chemistry and Chemical Engineering Shanghai Jiao Tong University http://sun.sjtu.edu.cn -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140529/0747bdb9/attachment.html
