Page 1 of 1

Get stuck at "Maximum index for non-local projection operator"

Posted: Wed Jul 15, 2009 5:15 am
by ynwu
I am trying to do a DOS and PDOS calculation. First, I did SCF calculation, successfully, with NPAR=4. Then, I change NPAR = 1 for the PDOS calculation. However it got stuck after showing "Maximum index for non-local projection operator 225". Does that necessarily mean IRDMAX is not enough? Do I have to recompile it or is there any way that I can reduce the "Maximum index for augmentation-charges" to let the calculation continue?

BTW, in SCF calculation OUTCAR:

Maximum index for non-local projection operator 365
Maximum index for augmentation-charges 389 (set IRDMAX)

Thanks very much.

Re: Get stuck at "Maximum index for non-local projection operator"

Posted: Wed Sep 04, 2024 2:08 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP