tbase1_xo_DEN

Total energy, geometry optimization, DFT+U, spin....

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sunnyone
Posts: 26
Joined: Fri Mar 01, 2013 11:12 pm

tbase1_xo_DEN

Post by sunnyone » Sat Mar 16, 2013 2:25 pm

how to read charge density out put file tbase1_xo_DEN i mean the header file?

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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: tbase1_xo_DEN

Post by jzwanzig » Sat Mar 23, 2013 11:47 am

The program cut3d, which is part of the abinit release, can read DEN files and write out information about them.
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com

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