[Wien] How to calculate the integrated DOS

[Peter Blaha]

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>
> 
> -- 
> 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
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