[Pw_forum] Wave function files

Vo, Trinh (388C) Trinh.Vo at jpl.nasa.gov
Mon Mar 4 21:47:26 CET 2013


Dear PWSCF users,

I have a question about how wave function files are updated during one iteration of scf calculation. For my current system, I see for every 6 min, the time stamp of all the wave function files are changed, but the size of each file are the same.  I do not know if after every six minutes all the wave functions are rewritten, or they are just simply accessed for reading  during one iteration.  The time between  2 iteration of my   system is approximately   10,000 CPU secs.

Thank you,

Trinh Vo
Computing Group
JPL/CalTech
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130304/4d6d01f9/attachment.html>


More information about the users mailing list