[Pw_forum] vcrelax calculation

pranay biswas pranayinform at gmail.com
Mon Mar 14 12:51:36 CET 2016


dear QE userers,
    Im new in QE. So my question also be a little silly, but please help me
-
question:- 1.0  what is the condition for a system that can be calles a
relaxed system.. i mean which output results identify it?
2.0  for vcrelax how can we choose the value for 'ecutwfc' and 'ecutrho'
for a particular system.. i noticed that pressure change abruptly when
'ecutwfc' is changed.
3.0 what calculation should be performed early for phonon calculation?

please introduce me to this world

-- 
*Pranay Biswas*
*email- pranayinform at gmail.com <pranayinform at gmail.com>*
*mob- +918116780033*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160314/554d0dd5/attachment.html>


More information about the users mailing list