[Pw_forum] LDA+U and phonon

Bipul Rakshit bipulrr at gmail.com
Sat Aug 22 20:42:15 CEST 2009


Dear PWSCF users,
Is LDA+U, in phonon code is not implimented?

Because for LaMnO3 i have done scf with lda+u, then i try to run
phonon at Gamma point only and it shows an error

from phq_readin : error #         1
     The phonon code with LDA+U is not yet available

So is there any additional flag i have to use in *.ph.in file? or its
not possible to cal. phonon with U?
-- 
Dr. Bipul Rakshit
Research Associate,
S N Bose Centre for Basic Sciences,
Salt Lake,
Kolkata 700 098
India


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