Hi,Marcos
I will try to calculate it according to your suggestion.
And I am also trying Alex Voznyy's code. He has modified the code which is
belong to Siesta.
For example,  modified version of Andrei Postnikov’s XCrysDen conversion
tool, rho2xsf converts to CUBE instead. And also meshsubs.F file was
modified to save pseudo-core charge into IOCH file. Maybe it also works for
the H and other atoms.
Regards,
Gao Min

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