problems for simulating high temperature and high density helium

jian... at jian... at
Tue Mar 8 00:33:13 UTC 2016

Dear cp2k users,

when I use cp2k to do a MD simulation for helium, from 0.16g/cm^3-8g/cm^3, 
and temperature from 6000-60000K,

there are two questions:

1. The CP2K package adopts GPW basises, which can be efficient for the 
liquids. But the validity at high temperature should be recheck here 
because Gaussian wave function will be distorted much at high temperatures. 
If there are some references talk about this problem? 

2. Is the nuclear quantum effect (NQE) important here? NQE will affect the 
transport properties because quantum particles will give different 
collision sections compared with classical particles. 

Could you give me some advice?
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