case.outputtup/dn contains this information.
Delete the lines at the beginning until the columns with
energy DOS integrated DOS ....
start.
This you can plot with any xy plotting tool (Excel).
Am 22.04.2020 um 17:14 schrieb Abderrahmane Reggad:
Hello wien users
Is it possible to get the integrated DOS from the DOS calculation in
wien2k code which allows us to get from the spin polarized DOS the
number of up and down electrons as in the following picture.
Integrated DOS picture
<https://1.bp.blogspot.com/-UWfvrZmxLyI/XqBehSOYedI/AAAAAAAAAGM/v6LM18YIAIUQ2CKxzuiw910yQF5gTLp-wCNcBGAsYHQ/s1600/integrated%2BDOS%2Bof%2Biron.png>
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Dr. Abderrahmane Reggad
Engineering Physics Laboratory
Faculty of Material Sciences, Ibn Khaldoun University, Tiaret, 14000,
Algeria
Tel: +213(0)561861963 - Algeria
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW:
http://www.imc.tuwien.ac.at/tc_blaha-------------------------------------------------------------------------
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