|From:||Ray Shan <rshan@...1795...>|
|Date:||Fri, 4 Aug 2017 16:31:37 +0000|
Axel and I have already answered this question of yours – please follow our advice given on the mailing list.
I tried to calculate the melting point for the Silicon bulk with the parameters (input file in attachment) but it gave me a wrong value for the melting point(about 2000) , but the right value (literature) is about 1600.
i tried with two potential (SW and EDIP) but always gives a wrong value for melting point.
witch size i must change ?
please,have a see to the input file in attachment ?