ABINIT Discussion Forums

Hi Please help me how to overcome this barrier ITER STEP NUMBER 3 vtorho : nnsclo_now=1, note that nnsclo,dbl_nnsclo,istep=0 0 3 --- !ERROR src_file: fxphas.F90 src_line: 188 mpi_rank: 0 message: | The eigenvector with band 76 has zero norm. This usually happens when the number of bands (nband) is c...

Hi i am facing problem during optimization of ZBNNR with 29 atoms, i was found someone faced same problem they had posted it on forum, in reply suggested use #paral_kgb==1. I had tried, stiil i found same thing and input file is # SCF Caluclation data # Cif2cell data # Structural parameters acell 2....