My Community • Natural orbitals or density matrix with vasp?

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Natural orbitals or density matrix with vasp?

Posted: Mon Jul 23, 2007 1:30 pm

by alex

Hi there,

is there a (simple) way to convince vasp to write out the density matrix or even natural orbitals?

Thanks

alex

Natural orbitals or density matrix with vasp?

Posted: Tue Jul 31, 2007 9:28 am

by admin

no

Natural orbitals or density matrix with vasp?

Posted: Wed Aug 01, 2007 7:15 am

by alex

Thanks. That was my feeling, too.

alex