[Pw_forum] about 'relax' calculation for a large job (alan chen)

umari at democritos.it umari at democritos.it
Tue Oct 30 12:31:29 CET 2007

Dear Alan

Could you indicate your affiliation when
posting on the mailing list?

If your system is treated only at the gamma point I suggest to relax it 
through a damped molecular
dynamics through the cp code. You can perform both
Car-Parrinello and Born_Oppenheimer MD. It can treat also
metallic systems through ensemble DFT.


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