[Pw_forum] vc-md temperature increases

[Paolo Giannozzi]

On Dec 6, 2011, at 2:49 , Lily Anh wrote:

> I added the following lines in the &ions section:
>
>     ntcheck=100,       !  temperature is checked every ntcheck  
> timesteps
>     ntimes=10          !  maximum number of velocity rescaling
>
> and the calculation crashes "    from  read_namelists  : error  
> #        88

you need to modify the code, not input data

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222