[CPMD-list] Who has a MT pp file for sodium with BLYP

liu liuxiandong xiandongliu at gmail.com
Fri Sep 28 16:27:16 CET 2007


Dear CPMDers,

  I want to use the MT normconserving pp of sodium with the BLYP functional.
I find the Na_SEMI_BLYP and Na_GO_BLYP files in the the pplib directory of
the downloaded CPMD package. I wonder whether it is appropriate to use the
two pps together with other pp with MT plus BLYP, such as O_MT_BLYP and
H_MT_BLYP.

Thanks for your consideration.




Best,

Xiandong Liu
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