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- From: "Min Yu" <minyu.phys@gmail.com>
- To: forum@abinit.org
- Subject: Question about charge density and wavefunctions.
- Date: Sat, 6 Oct 2007 17:29:07 -0500
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Hello, all,
I tried to use 'cut3d' to write out wavefunctions u(r) for every band(for example, only one k point), then calculate the charge density on real space by using n(r)=\sum_{bands}u(r)^{*}u(r). But I found out the calculated n(r) is not exactly the same as charge density given out from _DEN(cut3d). Although they are on the same mesh points. Could anyone comment on this?
Is it possible that n(r), and u(r) are written out from different iteration steps?
Thanks a lot.
-Best,
Min
- Question about charge density and wavefunctions., Min Yu, 10/07/2007
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