[Pw_forum] Error in phonon calculation using matdyn.x

mayank gupta mayankaditya at gmail.com
Tue Mar 29 06:00:15 CEST 2011


Dear All I am doing pwscf and phonon calculation for Y2O3. In 2x2x2 Q
mesh it  generates 6 irreducible q points (yo.dyn* files). The phonon
frequency calculation using  matdyn.x run I got error message

7.5000000000000000
     from frc_blk : error #         1
     wrong total_weight
     stopping ...

What could be the possible error.


Thanks







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Mayank kumar gupta
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