Dear All,
for DFT phosphorescence calculations, the use of the .ECPHOSPH keyword is it correct to use also when no pseudopotentials centers are defined? Is it an alternative way to the AMFI approximation for accounting spin-orbit effects?
Kind regards
Domenico
ecphosphorescence
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quartarolo
- Posts: 22
- Joined: 15 Dec 2013, 22:25
- First name(s): Angelo
- Middle name(s): Domenico
- Last name(s): Quartarolo
- Affiliation: High School
- Country: Italy
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