[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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