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
- [SIESTA-L] Denchar showed wrong result., Why? Fen Hong
- Re: [SIESTA-L] Denchar showed wrong result., ... Marcos Veríssimo Alves
- Re: [SIESTA-L] Denchar showed wrong resul... Fen Hong
- Re: [SIESTA-L] Denchar showed wrong r... Marcos Veríssimo Alves
- Re: [SIESTA-L] Denchar showed wro... Fen Hong
- Re: [SIESTA-L] Denchar showe... Alexander Vozny
