Thank you, for the reply
regards
Sindbad
Search found 3 matches
- Sat Feb 16, 2008 12:12 am
- Forum: Bader
- Topic: RCORE vs MIN DIST
- Replies: 12
- Views: 28011
- Fri Feb 15, 2008 9:37 pm
- Forum: Bader
- Topic: RCORE vs MIN DIST
- Replies: 12
- Views: 28011
Re: RCORE vs MIN DIST
I already used LAECHG=.TRUE. and the instructions given on the Bader page as suggested .
- Fri Feb 15, 2008 8:17 pm
- Forum: Bader
- Topic: RCORE vs MIN DIST
- Replies: 12
- Views: 28011
Re: RCORE vs MIN DIST
Perhaps some more bad news. for VH2: PAW_GGA V_sv (13e-) : RCORE=1.217 Angstrom , Min Dist =1.046 Angstrom , Charge on Vanadium = + 1.146 (its VH2 vandium hydride) PAW_GGA V_pv (11e-) : RCORE=1.217 Angstrom , Min Dist =1.046 Angstrom , Charge on Vanadium = + 1.136 (its VH2 vandium hydride) PAW_GGA V...