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- Thu Jul 02, 2009 8:39 pm
- Forum: Bader
- Topic: Bader Charge for H
- Replies: 1
- Views: 6889
Bader Charge for H
I am using the Bader Charge analysis for H in Pd and Group Vb hydrides. I am using PAW potantials with VASP 4.6.34 and set LAECHG=TRUE so that I can run bader with -ref CHGCAR_sum. I want to check if there is any reason I should not trust the resulting H charge? the MIN DIST is slightly smaller than ...