Re: [Phonopy-users] about using the vasp to calculate phonon

[Wei Z. <zd...@gm...>]

o ,I see , but if I want to calculate the force constants using many
kpoints, not only restriants to gamma point, can I use the IBRION=8 to
calculate the force constatns?
is the DFTPmethod restrained to be used only for gamma points?


2010/8/20 Wei Zhou <zd...@gm...>

>  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...
>



-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zd...@gm...