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Posted: **Wed Jul 06, 2005 6:20 am**

If can, How? Set Tag GGA = Keywords (PW91 or PBE etc.) in INCAR file?
But when I try in this way, always a warning message appears:Here your master's voice ...
Does the warning message really matter?

Thks afore.

Posted: **Mon Jul 11, 2005 12:41 pm**

The type of XC is basically given by the type of potential you use (LDA, GGA PBE). By setting the GGA tag in INCAR, further specifications can be given.
The warning message mainly serves for your information, that you have chosen an XC functional (in addition).
If you choose a certain XC type, I recommend to use the appropriate pseudopotential files rather than setting the tag in INCAR.

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