It's up to what kind of system you are studying. For a system with orthorhombic, monoclinic or triclinic structure, my experience told me that vc-relax is much faster than the "static" method because in those cases you need to do a series of calculations for each parameter, b/a, c/a as well as volume for example of orthorhombic system.
huiqun zhou @earth sciences, nanjing university, china ----- Original Message ----- From: jia chen To: pw_forum at pwscf.org Sent: Wednesday, August 25, 2010 2:51 AM Subject: [Pw_forum] ambiguous results with vc-relax sorry for interrupting you guys, I didn't follow the whole post before. Pressure calculations need very high ecutoff. And,according to my experience, vc-relax is supposed to be slow. So, I usually avoid vc-relax if possible... Last but not least, I am a student, maybe very wrong. Have a good day. -- Jia Chen Dept of Chemistry Princeton University Princeton, NJ 08544 ------------------------------------------------------------------------------ _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100825/813f99e3/attachment.htm
