Dear Andrea, Thank you, this solution works perfectly for us! Now the whole process goes really smoothly.
Best wishes, Antti -- Dr. Antti Karttunen Department of Chemistry University of Jyv?skyl?, Finland Tel: +358-50-3473475 WWW: http://www.iki.fi/ankarttu -----Original Message----- From: pw_forum-bounces at pwscf.org [mailto:[email protected]] On Behalf Of Andrea Dal Corso Sent: Wednesday, February 27, 2013 3:30 PM To: PWSCF Forum Subject: Re: [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs I am not going to implement this in the SVN version, at least not now. However it seems that if you reopen the wavefunctions after saving them with twfcollect=.true.. with something like: CALL punch( 'all' ) IF (only_init) THEN CALL clean_pw( .TRUE. ) CALL close_files(.true.) wfc_dir=tmp_dir_phq tmp_dir=tmp_dir_phq CALL read_file() IF (.NOT.lgamma_iq(iq).OR.(qplot.AND.iq>1)) CALL set_small_group_of_q(nsymq,invsymq,minus_q) ENDIF you can both run the epsilon calculation and the next ph.x runs with a different number of processors. It is really inelegant, and I think there are better ways to do this, but it seems to work. Best wishes, Andrea
