ABINIT Discussion Forums

Dear all,

I am new to abinit and would like to generate a large number of k points with the help of command 'ndivk'. I am using the following command for this:

ndivk 770 2077 2124 # divisions of the 3 segments, delimited

But this is getting stuck at the place when the nkpt variable has reached its maximum value during non-scf iterations. Even after 2 days the system is stuck at the same place. Has anyone worked with such a large division of the k-grid? When I put "ndivk 10 27 28", I get the result within two hours.

Best Regards,
Amit

Hi,

Have you check you memory consumption ?
Maybe your system is swapping and the calculation becomes much much slower?

Cheers