[Pw_forum] Problem with dynamical matrix file.

MATEUS JOSÉ FERNANDES MARTINS mjfmartins at ice.ufjf.br
Fri Mar 6 16:59:40 CET 2009


Hello all,

I run a phonon calculation with the nat_todo variable enable. The problem is
that when I run the application dynmat.x the following error appears.


*Reading Dynamical Matrix from file/home/mateus/trabalhos**/Phonons/file.mat
*

*%%%%%%%%%%%%%%%%%%%*
*     from readmat : error #         1*
*     mismatch in reading file*
* %%%%%%%%%%%%%%%%%%%%%%%%%%%%%*

*     stopping ...*

Already checked this file with others who have and he does not present
anything different to others.I have not found this error anywhere.
What is it?

My input file of the dynmat is:

*&INPUT*
*                    asr = 'crystal'*
*                 fildyn = '/home/mateus/trabalhos//Phonons/file.mat' ,*
*                 filmol = '/home/mateus/trabalhos//Phonons/file.mol' ,*
*                    amass(1) = 26.98000 ,*
*                    amass(2) = 16.00000 ,***
* &END*
*0.0 0.0 0.0*

PS: Do not post the file .mat because it is very long (110 atoms). If
necessary, then post here.

Thank you for the yours attention.

Mateus José Fernandes Martins
Universidade Federal de Juiz de Fora - Brasil
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