UT theoretical chemistry code forum

Thank you, for the reply

regards

Sindbad

I already used LAECHG=.TRUE. and the instructions given on the Bader page as suggested .

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 ...