Dear PWscf Users Is using and setting the variable "dt" in the vc-relax calculation necessary or not ? In the forum are many different suggestions. Also, how can one determine which value of the variable "max_seconds" is sufficient and safe. when one does not use the "max_seconds" the vc-relax calculation may takes huge time without changing the cell after a specific time. A comprehensive example for vc-relax calculation should be very useful.
Many Thanks Masoud -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100715/dbe6cfb3/attachment.htm
