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default units for RWIGS in INCAR?
Posted: Thu Apr 20, 2006 1:41 am
by wyxsdu
Who can tell me in the INCAR file, the default unit for the parameter RWIGS? it is in A or au?
default units for RWIGS in INCAR?
Posted: Thu Apr 20, 2006 3:54 am
by bandy
It is given in both units: the first one in au and the second one in Angstrom. This should also be mentioned in POTCAR.
In INCAR, it is in Angstrom, I believe.
bandy
<span class='smallblacktext'>[ Edited Thu Apr 20 2006, 05:57AM ]</span>
default units for RWIGS in INCAR?
Posted: Wed Apr 26, 2006 12:04 pm
by admin
yes, the default values are taken from POTCAR. If they are specified in INCAR , they have to be given in Ã…
please note that LORBIT 10 behave differently concerning the default setting of RWIGS
default units for RWIGS in INCAR?
Posted: Tue Feb 14, 2012 3:20 pm
by vaspisgood
[quote="admin"]yes, the default values are taken from POTCAR. If they are specified in INCAR , they have to be given in Ã…
please note that LORBIT <10 and >10 behave differently concerning the default setting of RWIGS [/quote]
Dear Admin, according to your message " behave differently concerning the default setting of RWIGS", I want to check and know:
1. Do you mean the default value of RWIGS is different when use LORBIT<10 and >10?
2 Or Do you mean the default value of RWIGS is the same when use LORBIT<10 and >10, but the method that used for calculations are different in the two cases?
3 If the default value of RWIGS is different, what's the numerical value?
Thanks a lot!