about PSMAXN for supercell calculation
Posted: Wed May 02, 2007 8:34 am
Dear all
when I calculate the supercell with 32 atoms, the OUTCAR is found to have the under warning and the work is turn off automatically and do not continue.
WARNING: PSMAXN for non-local potential too small
PSMAXN should be > 14.4904333269122 NTYP= 1
what is the parameter PSMAXN and NTYPE ?
Thanks for your answer in advance!
when I calculate the supercell with 32 atoms, the OUTCAR is found to have the under warning and the work is turn off automatically and do not continue.
WARNING: PSMAXN for non-local potential too small
PSMAXN should be > 14.4904333269122 NTYP= 1
what is the parameter PSMAXN and NTYPE ?
Thanks for your answer in advance!