[Pw_forum] some problems on the phonon

[Paolo Giannozzi]

On Tuesday 16 May 2006 15:10, 英国 高 wrote:

> when I calculate the phonon frequencies under pressure,
> it appears error in nscf file like this : 
>   from potinit :error  
>   starting and expected charges differ

you are starting from a charge density file that is not 
consistent with the system you are trying to solve.
This has nothing to do with "phonons under pressure"

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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