Real space projector?
Posted: Mon Jan 09, 2006 10:03 pm
Hello,
I am constructing a calculation which includes two atoms (respective POTCAR files "cat"ed together). I would like to know what this warning means and how to correct?
See below - Thank You
ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE |
| |
| One real space projector is optimized for |
| E = 414.57, eV but you are using a cutoff of |
| ENMAX= 320.00 eV ( QCUT= 4.85 a.u.) |
| This makes no sense reoptimize the projector |
| with the a.u. value given above |
I am constructing a calculation which includes two atoms (respective POTCAR files "cat"ed together). I would like to know what this warning means and how to correct?
See below - Thank You
ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE |
| |
| One real space projector is optimized for |
| E = 414.57, eV but you are using a cutoff of |
| ENMAX= 320.00 eV ( QCUT= 4.85 a.u.) |
| This makes no sense reoptimize the projector |
| with the a.u. value given above |