Dear Qjwang On Fri, Aug 22, 2008 at 10:12 AM, wangqj1 <wangqj1 at 126.com> wrote:
> > > Dear all > Could someone tell me the difference between vc-relax and relax ? > What are the functions of them . In what conditions to use them ? > > PLEASE READ THE DOCUMENTATION, it is in espresso-whateverversion/Doc/INPUT_PW Both can relax the ionic positions until each and every ion feel zero forces (Actually is not zero but a minimum force that you define inside &control) "vc" in vc-relax stands for variable cell, which means that the cell is also relaxed towards a target pressure (read &cell in the documentation) > Thank you very much for your help and your comments! > You a re welcome . > > With kind regards > > qjwang > That is not enough please always provide your affiliation. Sincerely, Javier. -- Javier A. Montoya Geophysical Laboratory Carnegie Institution of Washington 5251 Broad Branch Rd. NW Washington, DC 20015 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080822/b378f631/attachment.htm
