Hello PWScF users
I want to know that when I am
doing a calculations in aluminium wether i have to go for separate
convergence tests of ecutwfc and smearing for bulk Al (FCC) and Al(100)
surface. Can I use converged values of these obtained from bulk
calculations directly in surface calculations or not ?
Thanking all in advance
Manoj Narayan
Allahabad university
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20121210/42a79ae9/attachment.html