[Wien] analyse_phonon_lapw

ritabrata bhowmick rito at rcais.res.in
Mon May 11 13:55:29 CEST 2009


Wien users and Prof Blaha,
                                                I am working with kaolinite. Previously I had written regarding analyse_phonon_lapw of the same system. After init_phonon_lapw  with .d45 file, 204 cases are generated. The scf files of each case are converged . I get incomplete .dat and .dsy files after analyse_phonon_lapw with a message ‘ no rotation found’. The .dat file is attached with the mail.

 Can you suggest a solution for this problem?
                                             
                                                       Ritabrata
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