[CPMD-list] About the "MT_GI_BLYP" and "MT_BLYP"
liu liuxiandong
xiandongliu at gmail.com
Sun Apr 1 10:43:10 CEST 2007
Dear all,
I want to simulate the materials composed of Al and O using the "MT-BLYP"
potentials. I find the "O_MT_BLYP" file, and I cannot find the file like
"AL_MT_BLYP", but "AL_MT_GIA_BLYP" instead. Is it appropriate to use
these pseudopotentials in the same simulation? And how can I find some
background knowledge about this?
Thanks for your suggestions.
BEST,
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