ALGO = EIGENVA

[axel_forslund]

Dear VASP Team,

I accidentally ran a calculation with

Code: Select all

ALGO = EIGENVA

in the INCAR, that is, with a missing "L" at the end. This made VASP fall back to IALGO = 38, instead of IALGO = 3.
In the manual wiki/index.php/ALGO it's stated that

Except for 'None', 'Nothing' and 'Exact' (which must be spelled out), the first letter determines the applied algorithm.

but it doesn't seem to be the case for EIGENVAL?

(This occurred when doing an exact-exchange calculation on top of a "standard" DFT calculation, with

Code: Select all

NELM = 1
LHFCALC = .TRUE.
AEXX = 1.0

in case it's not reproducible in the general case. See also attached minimal example.)

Best regards,
Axel

[fabien_tran1]

Hi,

Yes, you are right. I have just updated the page ALGO. Anyway, I think reading the ALGO tag should be made more safe. Thank you for having reported this problem.