Search found 3 matches

by dragoncm
Wed May 26, 2010 9:34 am
Forum: Bader
Topic: weird charge
Replies: 4
Views: 10815

Re: weird charge

if i just enter "bader CHGCAR",what do the datas mean? is it right or wrong?
by dragoncm
Wed May 26, 2010 4:24 am
Forum: Bader
Topic: weird charge
Replies: 4
Views: 10815

Re: weird charge

you didn't add core charge.i just wanted valence charge.does it muse add core charge?
by dragoncm
Wed May 26, 2010 3:21 am
Forum: Bader
Topic: weird charge
Replies: 4
Views: 10815

weird charge

after i calcuted the pdos of one Ag doping in the first layer of Mg surface which has 5 layers,i entered “bader CHGCAR”,then came out the result following as # X Y Z CHARGE MIN DIST ATOMIC VOL ------------------------------------------------------------------------------- - 1 3.6778 3.1843 10.0972 1...