Re: [Phonopy-users] Zero Mass for radioelement
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From: Atz T. <atz...@gm...> - 2011-05-27 13:38:13
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Hi, I remember the atomic masses were obtained from wikipedia where those values were not written. I thought I wrote some credit somewhere in the code or in the document, but I could not find it now. If you want to set masses, you can do it using MASS, http://phonopy.sourceforge.net/setting-tags.html#mass Or you can develop the atomic mass list by yourself. Togo On Fri, May 27, 2011 at 8:24 PM, xirainbow <nkx...@gm...> wrote: > Dear developers: > I notice that radiolelement atoms have zero mass > in phonopy/structure/atoms.py. > Why? > Is there any special reason? > When I use phonopy to deal with these kinds of atoms, phonopy suspends > without any error or warning. > -- > ____________________________________ > Hui Wang > School of physics, Fudan University, Shanghai, China > > ------------------------------------------------------------------------------ > vRanger cuts backup time in half-while increasing security. > With the market-leading solution for virtual backup and recovery, > you get blazing-fast, flexible, and affordable data protection. > Download your free trial now. > http://p.sf.net/sfu/quest-d2dcopy1 > _______________________________________________ > Phonopy-users mailing list > Pho...@li... > https://lists.sourceforge.net/lists/listinfo/phonopy-users > > -- Atsushi Togo http://atztogo.users.sourceforge.net/ atz...@gm... |