UT theoretical chemistry code forum

sorry for the stupid question i asked before. it has been sorted out. everying runs fine.

thanks

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! where can i find the "split_chg.sh" script?

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