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| deltacharge |
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This code is designed to take 2 CHGCAR files generated by VASP, and find the differences in the charge density. This code is inspired by looking at simulations of systems where you have either added or removed charge. Therefore by using this code, you can see where there is excess or an absence of charge in your cell.
TO RUN PROGRAM:
cd src
make
cd ..
./deltacharge + CHGCAR1 CHGCAR2
or
./deltacharge - CHGCAR1 CHGCAR2
The '+' command line argument will add the two CHGCAR's together, and the '-' argument will subtract them.
NOTE: VASP HAS CHANGED ITS CHGCAR IN ITS LATEST VERSIONS. PLEASE REMOVE THE ATOMNAMES IN THE LINE ABOVE THE ATOM COUNTS. FIXES TO THIS ISSUE WILL COME EVENTUALLY.
Prior to running, check the 'output' directory, the CHGCAR in the there will either be the addition of the CHGCAR's or subtraction.