It is something that occasionally happens with low-dimensional materials (I never managed to figure out why)
Paolo On Sun, Nov 19, 2017 at 7:45 PM, Gautam Gaddemane <gautam...@gmail.com> 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@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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