WAVECAR type

[bprobinson102]

VASP team,

I am running a GW calculation following the two-step procedure with VASP6. I have noticed that when I increase NBANDS I start to see the following message in my standard output:

Code: Select all

VASP.5.3 WAVECAR encountered

The only input that I am changing from one calculation to another is NBANDS, so I am unsure why this occurs when NBANDS is large. Do you have any insight as to what might be going on? Thanks!

-Brian

[marie-therese.huebsch]

Hi,

This is nothing to worry about. Maybe mentioning VASP.5.3 was not the best choice for the output, but in principle, that should occur whenever a WAVECAR is read. Probably changing NBANDS changes if additional bands are initialized, which leads to a slightly different code path. Is that good enough? Or shall I investigate what exactly happens in your calculation? For the latter, please upload a small reproducer.

Marie-Therese

[bprobinson102]

That is good enough for me, thanks!

[marie-therese.huebsch]

Great All the best for your calculation.