UT theoretical chemistry code forum

IDIPOL tag is to correct the energy and potential, and LDIPOL tag is to write the dipole and quadrupole corrected potential in the LOCPOT file.

cheers

Sorry, now I can execute the script file. My mistake was in command. By the way thank you.

Dear Expertise I am trying to use the available scripts from the VTST.Tools for calculating Bader charge transfer from surface to adsorbed molecule. When I am trying to use the chgsum.pl script to sum up the AECCAR0 and AECCAR2, it's not executing and showing off some error command. But some other d...