[Pw_forum] The difference between vc-relax and relax .
Javier Antonio Montoya
j.antonio.montoya at gmail.com
Fri Aug 22 16:41:30 CEST 2008
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
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
That is not enough please always provide your affiliation.
Javier A. Montoya
Carnegie Institution of Washington
5251 Broad Branch Rd. NW
Washington, DC 20015
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