[Pw_forum] a error when caculate phonon using version3.0!

Paolo Giannozzi giannozz at nest.sns.it
Thu Mar 30 17:23:24 CEST 2006

On Thursday 30 March 2006 10:35, hjlyw1983 hjlyw1983 wrote:

> When I caculated the phonon of SnO at Gamma point using the 
> version3.0, a part of the result as below [...]

I tried your job and the results I got look sensible. I used the CVS 
version,  different pseudopotentials, a smaller cutoff, and a much
smaller k-point grid (see attached). Note that
- in PC with the intel compiler, I got a crash. This is due to a
  compiler weirdness with large arrays. 
- you must be careful when using you restart from an interrupted
  run (recover=.true.): you may easily end up reading bad files
- the third-order electro-optic coefficients are zero by symmetry,
  I think

Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy
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