Band decomposed charge with in an atomic volume
Posted: Wed Jun 19, 2013 8:56 am
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
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