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ldos

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Example for the article Exploring Density of States (DOS) and Band Structure

Setup files and resulting xml file.

Note that you need two vasp calculations: one self-consistent calculation for creating the charge density and another one for calculating the band structure.

MD5: C9B7CFA4C9CBD5FD7416DAA5F566F9D4




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2014-01-11
39.05 KB
4997
extract.zip

(4 votes)

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Extraction script. This is a small script, that extracts POSCAR, INCAR and KPOINTS from the vasprun.xml.




Created
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2014-01-11
1.04 KB
2281