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Re: [lammps-users] melting point for the Silicon bulk
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Re: [lammps-users] melting point for the Silicon bulk


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.

 

Ray

 

From: Djelel Djelloul <bdjelel1398@...24...>
Date: Friday, August 4, 2017 at 2:45 AM
To: Ray Shan <rshan@...1795...>
Subject: Fwd: melting point for the Silicon bulk

 

 

Dear Sir,

 

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  ?

Best Regards