Dear Lorenzo.
Thanks for your response.
I am attaching here the input files for scf and phonon calculations of bulk
MoS2, as well as output files of dynmat.x using asr='simple' and asr='crystal'.
I also noticed that asr='no' give similar results to asr='crystal'.
Regards,
Juliana
-
Dr
Dear users,
while optimizing Hubbard_U, i encountered this error
Error in routine read_namelists (1): bad line in namelist : "/"
(error could be in the previous line)
from hp code.
The scf calculation went on fine with no error. But the hp calculation
showed this error. I searched the
