VDW_C6, VDW_R0, IERR=5
Posted: Mon Jan 03, 2011 6:51 am
I got the following error when I tried to perform a calculation with LVDW set true on vasp.5.2.11 while relaxing CH4.
Error reading item 'VDW_C6' from file INCAR.
Error code was IERR=5 Found N=0 data items
Error reading item 'VDW_R0' from file INCAR.
Error code was IERR=5 Found N=0 data items
Options for LVDW in my INCAR file are
LVDW=.TRUE.
VDW_RADIUS= 30.0
VDW_SCALING= 0.75
VDW_D= 20.0
VDW_C6=0.14,1.75
VDW_R0=1.001,1.452
I have explicity provided the parameters(C6 and R0) for H and C.
Thanks
Error reading item 'VDW_C6' from file INCAR.
Error code was IERR=5 Found N=0 data items
Error reading item 'VDW_R0' from file INCAR.
Error code was IERR=5 Found N=0 data items
Options for LVDW in my INCAR file are
LVDW=.TRUE.
VDW_RADIUS= 30.0
VDW_SCALING= 0.75
VDW_D= 20.0
VDW_C6=0.14,1.75
VDW_R0=1.001,1.452
I have explicity provided the parameters(C6 and R0) for H and C.
Thanks