sorry for the stupid question i asked before. it has been sorted out. everying runs fine.
thanks
Search found 4 matches
- Tue Aug 12, 2008 7:19 pm
- Forum: Bader
- Topic: Magnetic Moment
- Replies: 6
- Views: 83336
- Tue Aug 12, 2008 7:12 pm
- Forum: Bader
- Topic: Magnetic Moment
- Replies: 6
- Views: 83336
Re: Magnetic Moment
i am running the script, but it seems to stop running. there is only one message shown "Input file :: """. the scrip does not go ahead. does it take a long time to seperate the CHGCAR file? or do i need to change something on the script?
thanks
thanks
- Tue Aug 12, 2008 6:09 pm
- Forum: Bader
- Topic: Magnetic Moment
- Replies: 6
- Views: 83336
Re: Magnetic Moment
thanks! where can i find the "split_chg.sh" script?
- Mon Aug 11, 2008 7:50 pm
- Forum: Bader
- Topic: Magnetic Moment
- Replies: 6
- Views: 83336
Magnetic Moment
Hi All!
Runing Bader with CHGCAR, I can get the charge on each atom from ACF.dat. what about the magnetic moment (spin_up - spin_down) of the atom? What shall I do?
thanks
Runing Bader with CHGCAR, I can get the charge on each atom from ACF.dat. what about the magnetic moment (spin_up - spin_down) of the atom? What shall I do?
thanks