ENMAX in POTCAR wrong???
Posted: Mon Jul 02, 2007 1:54 am
The PBE PAW POTCAR for O has an ENMAX of 400 eV. This is what VASP defaults to if I do not put an ENMAX in the INCAR file. However, my OUTCAR says:
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| |
| ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): |
| |
| One real space projector is optimized for |
| E = 449.69, eV but you are using a cutoff of |
| ENMAX= 400.00 eV ( QCUT= 5.42 a.u.) |
| This makes no sense reoptimize the projector |
| with the a.u. value given above |
| |
-----------------------------------------------------------------------------
What is going on? Is there an error in the POTCAR?
-----------------------------------------------------------------------------
| |
| ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): |
| |
| One real space projector is optimized for |
| E = 449.69, eV but you are using a cutoff of |
| ENMAX= 400.00 eV ( QCUT= 5.42 a.u.) |
| This makes no sense reoptimize the projector |
| with the a.u. value given above |
| |
-----------------------------------------------------------------------------
What is going on? Is there an error in the POTCAR?