[Pw_forum] about the influence of lo-to split on the vibrational model

[Paolo Giannozzi]

On Nov 20, 2007, at 4:16 , xu yuehua wrote:

> and  there is not the vector at all!!
> [...]
> and what is wrong ? i do not know
> please give me a detailed advise

your attitude is wrong. Had you followed my previous
advice (not "advise") you would have found this:

!  filout  character output file containing frequencies and modes
!                    (default: filout='dynmat.out')
!  filmol  character as above, in a format suitable for 'molden'
!                    (default: filmol='dynmat.mold')
!  filxsf  character as above, in axsf format suitable for xcrysden
!                    (default: filmol='dynmat.axsf')
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222