[Pw_forum] Error in routine frc_blk (1): wrong total_weight

Gautam Gaddemane gautamg88 at gmail.com
Sun Nov 19 19:45:49 CET 2017


Hello All,
I am trying to calculate the phonons for monolayer phosphorene and I used
5*5*1 q points. And 10*10*1 k points in the scf calculations.
After calculating the force constants from q2r.x, when I run matdyn.x i get
the following error.




*Error in routine frc_blk (1):      wrong total_weight*
When I run with 6*6*1, I do not encounter the error. Please help me
understand the issue

Thank you
Gautam

GAUTAM GADDEMANE
DEPARTMENT OF MATERIALS SCIENCE AND ENGINEERING
UNIVERSITY OF TEXAS AT DALLAS
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