Thanks to all of you for the helpful advices.
The Cs pseudopotential on pwscf.org considers only one electron. But more
electrons should be considered as valence electrons if I want study the
characters of Cs under very high pressure. Therefore, I considered the
configurations 5s2 5p6 6s1 for Cs. And then I test the validity of the
artificial pseudopotential by simulating the equation of state under low
pressure. But the calculated results are not in good agreement with the
experiment.
Anyhow, thank your very much.
I will try the other calculation parameters to test the validity of the Cs
pseudopotential.
Best regards,
Yan Li
---------------------------------
@yahoo.cn ?????????????
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