About VDW_C6 and VDW_R0
Posted: Thu Sep 12, 2013 4:42 am
Before mentioning, sorry for my English. I 'm not familiar with English yet. X(
Anyway, I was wondering that, are VDW_C6 and VDW_R0 need to be set, and are they set automatically??
when we see the VASP manual, we can probably find table "parameters used in the empirical force-field of Grimme"..
Anyway, What I'd like to know is, are these values defined automatically??
<span class='smallblacktext'>[ Edited ]</span>
Anyway, I was wondering that, are VDW_C6 and VDW_R0 need to be set, and are they set automatically??
when we see the VASP manual, we can probably find table "parameters used in the empirical force-field of Grimme"..
Anyway, What I'd like to know is, are these values defined automatically??
<span class='smallblacktext'>[ Edited ]</span>