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
VDW_C6, VDW_R0, IERR=5
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aantony
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VDW_C6, VDW_R0, IERR=5
Last edited by aantony on Mon Jan 03, 2011 6:51 am, edited 1 time in total.
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wlscopel
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VDW_C6, VDW_R0, IERR=5
You must substitute VDW_C6=0.14,1.75
VDW_R0=1.001,1.452
By
VDW_C6=0.14 1.75
VDW_R0=1.001 1.452
VDW_R0=1.001,1.452
By
VDW_C6=0.14 1.75
VDW_R0=1.001 1.452
Last edited by wlscopel on Wed Jan 05, 2011 9:36 am, edited 1 time in total.