Skip to content

Can SSCHA calculate high temperature(20000K)anharmonic free energy? #128

Answered by mesonepigreco
SunGroup-nju asked this question in Q&A
Discussion options

You must be logged in to vote

Hi,
It depends on the material.
SSCHA is not very good at describing liquid, so if your material is melted at that temperature, the SSCHA may not be the best tool (and you should use molecular dynamics instead).
However, if you also have high pressures, it is still possible that the material is solid (even if, at those temperatures, it probably is not).
In that case, the SSCHA is the best tool!

Replies: 1 comment

Comment options

You must be logged in to vote
0 replies
Answer selected by mesonepigreco
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Category
Q&A
Labels
None yet
2 participants