Band decomposed charge with in an atomic volume

Bader charge density analysis

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aqua1974
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Joined: Wed Jun 19, 2013 8:40 am

Band decomposed charge with in an atomic volume

Post by aqua1974 »

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 and atomic volumes from bader analysis ?

Thank you in advance for your kind response,

Kuwabara
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