MD NVT run cost more time after running about 200 steps

jumin... at jumin... at
Wed Apr 29 01:45:29 UTC 2015

Dear Matthias,
       Thank you for your suggestion. I have change my Pb pseudopotential  
and it work well. Because I use cp2k from last week,  I don't familiar with 
it. where can I get guide about the choice of basis set and 
 pseudopotential. Thank you very much.


在 2015年4月28日星期二 UTC+8下午10:54:22,jumi... at gmail.com写道:
> Dear cp2k users and developers,
>          I run MD with NVT by cp2k. However, after run about hundreds 
> steps, it cost more time by every electronic steps. Anyone have the similar 
> problem. I attach my input and output files. 
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