On Tue, 2014-10-07 at 10:08 -0500, Juliana Morbec wrote: > I am running vc-relax calculation for Ta3N5 with an extra charge > (tot_charge=-1). The calculation went well during the BFGS Geometry > Optimization. However, in the "final scf calculation at the relaxed > structure" my job crashed with the error > > Error in routine read_rho_xml (1): > dimensions do not match
code version? > I was using 576 processors, with -npool 4 -npw 32 -ndiag 16. there is no command-line option "-npw" that I remember Paolo > Does anyone know which could be the problem in this case? > I will really appreciate any help in this issue on this. > > > Best wishes, > > > Juliana Morbec > ----- > > Juliana M. Morbec, Ph.D. > Postdoctoral Researcher > Institute for Molecular Engineering, The University of Chicago > > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
