[Pw_forum] The calculated results using the pp file of Cs from Mr. Paolo.
岩 李
lyanglyan at yahoo.com.cn
Tue Nov 20 02:13:48 CET 2007
Dear Paolo and all users,
I got a good areeement between the theory and experiment by using the Cs pp file that you sent to me. The simulated results even reproduce the experiment data under very high pressure. But I just tested the one with PBE and 9 valence electrons.
Thanks a lot!
Best regards,
Yan Li
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雅虎邮箱,终生伙伴!
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