[Pw_forum] vc-relax and dt
Masoud Nahali
masoudnahali at live.com
Thu Jul 15 15:38:58 CEST 2010
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
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