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

[Lorenzo Paulatto]

Dear Gautam,
Try to open the file PW/src/wsweight.f90 and change the value of 
parameter nx from 2 to 3, or maybe increase eps to 1.d-5
   parameter (eps=1.0d-6,nx=2)
then recompile pw and ph.

If this does not work, please provide a full input/output and dynamical 
matrix files so we can have a look.

kind regards

On 19/11/17 19:45, Gautam Gaddemane wrote:
> 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
> 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
> 

-- 
Lorenzo Paulatto - Paris