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- From: Igor Lukacevic <ilukacevic@fizika.unios.hr>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] angdeg and rprim issue
- Date: Tue, 05 Jan 2010 12:34:18 +0100
Dear prof. Gonze, after fixing the anaddb, everything works well, but, still, it seems that a new problem arises. Fixed anaddb (using unchanged mrgddb output) gives different (wrong) phonon frequencies wrt the not fixed anaddb using the edited mrgddb output file (with changed acell and rprim in it), which gives more sensible frequencies. Also, band2eps gives a blank eps file when brav 2 is used, irrespective of the usage of fixed or not fixed anaddb, whether brav 1 option works well. Of course, the frequencies are completely different in these two cases. If You want I could send the files I got. Yours, Igor Lukacevic Xavier Gonze wrote: 163C5C3A-C487-4C40-A290-17ECC199A048@uclouvain.be" type="cite">Dear Igor, |
- Re: [abinit-forum] angdeg and rprim issue, Xavier Gonze, 01/04/2010
- Re: Re: [abinit-forum] angdeg and rprim issue, ilukacevic, 01/04/2010
- Re: [abinit-forum] angdeg and rprim issue, Xavier Gonze, 01/04/2010
- Re: [abinit-forum] angdeg and rprim issue, ilukacevic, 01/04/2010
- Re: [abinit-forum] angdeg and rprim issue, ilukacevic, 01/04/2010
- Re: [abinit-forum] angdeg and rprim issue, Alain Jacques, 01/04/2010
- Re: [abinit-forum] angdeg and rprim issue, ilukacevic, 01/04/2010
- Re: [abinit-forum] angdeg and rprim issue, Xavier Gonze, 01/04/2010
- Re: [abinit-forum] angdeg and rprim issue, ilukacevic, 01/04/2010
- Re: [abinit-forum] angdeg and rprim issue, Alain Jacques, 01/04/2010
- Re: [abinit-forum] angdeg and rprim issue, Igor Lukacevic, 01/05/2010
- Re: [abinit-forum] angdeg and rprim issue, Xavier Gonze, 01/14/2010
- Re: [abinit-forum] angdeg and rprim issue, Igor Lukacevic, 01/15/2010
- Re: [abinit-forum] angdeg and rprim issue, Xavier Gonze, 01/14/2010
- Re: [abinit-forum] angdeg and rprim issue, Xavier Gonze, 01/04/2010
- Re: Re: [abinit-forum] angdeg and rprim issue, ilukacevic, 01/04/2010
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