Re: [Phonopy-users] Error when create a FORCE-SET file
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From: Luong H. D. <161...@st...> - 2019-05-17 15:05:50
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Thank you so much Dr. Martin! Your suggestion made me check more carefully my setting. And I found that DIM in band.conf was not correct which I used supercell of 2x2x2. Now it seems to work fine. Best wishes and regards! Luong Huu Duc Vào Th 6, 17 thg 5, 2019 vào lúc 23:34 Martin Bäker < mar...@tu...> đã viết: > Since you got the message > RuntimeError: Number of forces is not consistent with supercell setting. > > I suspect that you did not create all the necessary > subdirectories/fiels (or perhaps you used a wildcard and phonopy saw too > many vasprun.xml-files?) > > On Fri, 17 May 2019 22:27:25 +0900 > Luong Huu Duc <161...@st...> wrote: > > > RuntimeError: Number of forces is not consistent with supercell setting. > > -- > Priv.-Doz. Dr. Martin Bäker > Institut für Werkstoffe > Technische Universität Braunschweig > Langer Kamp 8 > 38106 Braunschweig > Germany > Tel.: 00-49-531-391-3065 > Fax 00-49-531-391-3058 > e-mail <mar...@tu...> > > http://www.tu-braunschweig.de/ifw/institut/mitarbeiter/baeker > http://www.scienceblogs.de/hier-wohnen-drachen > Twitter: @Drachenblog > > > _______________________________________________ > Phonopy-users mailing list > Pho...@li... > https://lists.sourceforge.net/lists/listinfo/phonopy-users > |