[Pw_forum] Raman intensity and LDA+U

zyli zyli at 263.sina.com
Mon Mar 10 10:15:01 CET 2003


Dear PWSCF users:

     In Phys.Rev.Lett., Prof. Mauri proposed a method 
to calculated Raman intensities quickly, which was said
have been implemented in the PWSCF code. How can I perform
such calculations with PWSCF?

     It's said that the PWSCF can determine the Hubbard U
parameter in LDA+U calculations automaticaly. But in the 
INPUT.PW I also find that I need to give Hubbard_U as a 
parameter, why?

Thanks.

zyli

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