question about PBE in vasp.4.6 and vasp.4.4
Posted: Tue Oct 13, 2009 12:52 am
Question one:
I want to test the vasp.4.6. The following is my INCAR file:
SYSTEM=ANNEALING
ENCUT = 500 eV
ISTART=0
ICHARG=2
#PREC=High
#EDIFF=1E-5
I use the PBE for calculate the exchange-correlation contribution to the total energy.
But there is a error:
internal error: XML_INCAR called with a vector, use XML_INCAR_V instead LORBIT
Why?
Question two:
Could the PBE potcar can be used in the vasp.4.4?
I want to test the vasp.4.6. The following is my INCAR file:
SYSTEM=ANNEALING
ENCUT = 500 eV
ISTART=0
ICHARG=2
#PREC=High
#EDIFF=1E-5
I use the PBE for calculate the exchange-correlation contribution to the total energy.
But there is a error:
internal error: XML_INCAR called with a vector, use XML_INCAR_V instead LORBIT
Why?
Question two:
Could the PBE potcar can be used in the vasp.4.4?