[Pw_forum] Phonon calculation with soc
Maedeh Zahedifar
maedehzahedifar at gmail.com
Thu Oct 22 11:49:51 CEST 2015
Dear all,
I want to calculate phonon with SOC. I just only add Two parameter in the
scf calculation for this: noncolin and lspinorb.
My calculation are good for pw.x and ph.x, but when I start to calculate
q2r.x and matdyn.x the program gives me this error:
reading grid info from file tinisn_scfsoc.dyn0
reading force constants from file tinisn_scfsoc.dyn1
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine q2r (1):
file tinisn_scfsoc.dyn1 missing!
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine q2r (1):
file tinisn_scfsoc.dyn1 missing!
Would you please tell me what is the problem?
Best,
Maedeh Zahedifar
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