[Pw_forum] Error in phonon calculation

Ali Tavana tavana.ali at gmail.com
Thu Nov 18 16:08:26 CET 2010


Once I tried true atomic masses but didn't (and shouldn't) help as Prof.
Giannozzi said.
Interestingly when I do e-ph calculation for this case, it works! i.e. a
dense scf (la2F=true) --> rare scf --> ph.x (elph=true)!!!


-- 
Ali Tavana
PhD Candidate,
Magnet Research Lab. (MRL)
Sharif University of Technology,
Tehran, Iran.
Tel: +98 21 6616 4544
Fax:+98 21 4446 0799
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