[CP2K:10271] MD melting problem

jie wu 4985... at qq.com
Fri May 4 08:56:44 UTC 2018

Thanks for your help. I got the crystal structure like the input crystal 
structure. I have double checked every parameters and reconfirmed them with 
my input file this morning, the force field parameters' part is exactly the 
same in the literature. As the authors simulated a serials properties of 
the melts, I intend to build the molten structure first, so I encounter the 

在 2018年5月4日星期五 UTC+8下午3:54:24,Josip Lovrić写道:
> What do you exactly get when you try to reproduce paper results? 
> I do not have experience with this tipe of forcefield,  but generally I 
> would try to understand physical meaning of this parameters and maybe to 
> find error. It could be some mistake in writing, etc.
> Josip 
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