Natural orbitals or density matrix with vasp?

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alex
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Natural orbitals or density matrix with vasp?

#1 Post by alex » Mon Jul 23, 2007 1:30 pm

Hi there,

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

Thanks

alex
Last edited by alex on Mon Jul 23, 2007 1:30 pm, edited 1 time in total.
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admin
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Natural orbitals or density matrix with vasp?

#2 Post by admin » Tue Jul 31, 2007 9:28 am

no
Last edited by admin on Tue Jul 31, 2007 9:28 am, edited 1 time in total.
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alex
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Natural orbitals or density matrix with vasp?

#3 Post by alex » Wed Aug 01, 2007 7:15 am

Thanks. That was my feeling, too.

alex
Last edited by alex on Wed Aug 01, 2007 7:15 am, edited 1 time in total.
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