Zab_VDW parameter does not show in OUTCAR

[gullbrekken]

Hello

Just a strange observation. The Zab_VDW correlation parameter does not show in the OUTCAR for some reason, it only shows ******. Is this due to a mistake in the INCAR or something else? The calculation seems to run fine.

INCAR: ZAB_VDW = -1.8867

I am wondering if it is due to the minus sign, or whether I am using the wrong "-" sign?
Just want to make sure I have not done any error in my calculations.

Kind regards,
Øystein

[fabien_tran1]

Hi,

This is due to the format for the write statement that was not adapted. You can fix this in fock.F (at line 685 in VASP.6.4.2) by replacing

Code: Select all

           '   Zab_VDW    =',F6.4,  '    correlation parameter'/&

by

Code: Select all

           '   Zab_VDW    =',F7.4,  '    correlation parameter'/&

This fix will be included in the next VASP release. Thanks for pointing this out.

[gullbrekken]

Thanks for the reply!
Good to know.

Øystein