[Pw_forum] Smearing
Manoj Narayanan
manojnarayan86 at gmail.com
Mon Dec 10 15:58:44 CET 2012
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
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