Dear VASP users,
I wonder if there is a way (or INCAR option) to calculate the total charge within a certain energy interval, for example, total number of electrons within 0.5 eV from the conduction band minimum.
Thank you in advance.
Total charge
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forsdan
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Total charge
You can obtain the partial charge density for a specific energy interval. Have a look at the manual:
http://cms.mpi.univie.ac.at/vasp/vasp/node154.html
/Dan
http://cms.mpi.univie.ac.at/vasp/vasp/node154.html
/Dan
Last edited by forsdan on Fri Oct 03, 2008 9:54 pm, edited 1 time in total.