[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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