[Pw_forum] vc-relax and dt

[Masoud Nahali]

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://lists.quantum-espresso.org/pipermail/users/attachments/20100715/dbe6cfb3/attachment.html>