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Hi, All,

I am VASP begaining user. Now, I am doing ionic relaxation using LDA instead of GGA.
How to set the GGA tag in INCAR, GGA=(blank), or just leave it decided by POTCAR?

Now for my INCAR, I leave the GGA tage decided by POTCAR and use pot_LDA.
Do I need to modify the LDA POTCAR?

I am confused why there is a GGA line in pot_LDA POTCAR. for example, "GGA = -1.5760 -1.6791 .0187 -1.2594 eV" for Carbon.

Do I need to remove this line for LDA calculation?

Thank you!

To run just LDA calculation, you should not have any GGA tag in INCAR. Then you should have appropriate POTCAR for LDA downloaded from vasp website. For e.g. I have four directories: /pawGGA, /pawLDA, /paw_pbe, /pot_GGA, /pot_LDA. You can go for PAW LDA (/pawLDA) or Ultrasoft LDA (pot_LDA)
Hope it helps.

<span class='smallblacktext'>[ Edited Tue Nov 07 2006, 02:03AM ]</span>