On Jan 7, 2007, at 1:06 AM, wang yanchao wrote: > dear Stefano: > Thank you for your reply! I have read the paper which you > suggest and get a lot ! Now I want to know how to displace the ion > in pwscf code,in other word,which subroutine is called to do this > task ?
phq_setup.f90 > which ion displace when there are many ions in this system? all of them S. --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20070107/2115de4e/attachment.htm
