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by aqua1974
Wed Jun 19, 2013 8:56 am
Forum: Bader
Topic: Band decomposed charge with in an atomic volume
Replies: 0
Views: 43746

Band decomposed charge with in an atomic volume

Dear all, As implemented in VASP, we can calculate band decomposed charge density, a PARCHG file, which is originated from given wave functions. http://cms.mpi.univie.ac.at/vasp/guide/node145.html Can the bader code calculate band decomposed charge within atomic volume by combining the PARCHG file a...