[Pw_forum] Raman intensity and LDA+U

Paolo Giannozzi giannozz at nest.sns.it
Mon Mar 10 11:44:27 CET 2003


Hi

>      In Phys.Rev.Lett., Prof. Mauri proposed a method
> to calculated Raman intensities quickly, which was said
> have been implemented in the PWSCF code. 

not in the current version. Hopefully it will be available in a
future version. Presently one can only calculate Raman 
intensitiies (nonresonant) using finite differences.

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050509412
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