ABINIT Discussion Forums

Hi people,

I have done SCF calculations for a molecule that has 76 occupied energy levels. For further calculations that I plan to do using yambo, I wanted abinit to write information about 500 bands into the KSS file. However, that fails with a segmentation fault apparently while writing the KSS file. For smaller number of bands (100) it runs without trouble.

Is this a memory issue?

Bjoern

No way of knowing without some real information (you don't even mention how much memory you have!)

read

viewtopic.php?f=20&t=251

first.