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

[xu yuehua]

i am very sorry .just now ,i did not find the dynmat.f90.
now .i am reading .
thank you for your kind criticism and your suggestion



2007/11/20, Paolo Giannozzi <giannozz at nest.sns.it>:
>
>
> 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')
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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-- 
Xu Yuehua
physics Department of Nanjing university
China
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