Re: [Phonopy-users] about using the vasp to calculate phonon
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From: Wei Z. <zd...@gm...> - 2010-08-20 04:40:28
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thank you for your repy. then for my understand, there have two methods about calculating the phonon by mean of vasp together phonoy firt method ;bulid a supercell, then use IBRION=8, get the force contstans then use phonopy to get the phonon sencond method, use phonopy to get many structure, then use phonopy to get the force contstats and phonon is my understand rights? and whose method is more quickly? best regards 2010/8/19 Wei Zhou <zd...@gm...> > > I read the phonopy guide, foud that the force maxtrix can be gotten from > the VASP directly by mean of IBRION=8 in vasp. > so does this method be restrained to gamma-kpoints only? > would some one give me a INCAR example of input about this method > any help will be appreciated > -- > ZhouDawei > JiLin Universiyt ,ChangChun ,China > zd...@gm... > -- ZhouDawei JiLin Universiyt ,ChangChun ,China zd...@gm... |