My Community

When calculating the PARCHG above Fermi level and below Fermi level, I find the
partial charge density above fermi level is larger then below fermi level.what is the
reason? does the partial charge density come from integrated DOS?

yes, it depends on
1) the range of integration
2) the DOS below/above E_f

Dear Admin, How can we do such a calculation by using vasp.4.6 ?

ey: Please have a look in the manual on how to evaluate the partial charge density:

http://cms.mpi.univie.ac.at/vasp/vasp/node153.html


/Dan