Partial dos

Queries about input and output files, running specific calculations, etc.


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jyoti

Partial dos

#1 Post by jyoti » Mon Jan 21, 2013 8:08 am

hey ! pls suggest me how to plot partial dos in VASP5.3,,plsssssssssssssssssssssss
Last edited by jyoti on Mon Jan 21, 2013 8:08 am, edited 1 time in total.

askhetan
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Partial dos

#2 Post by askhetan » Tue Jan 22, 2013 3:55 pm

if you understand the structure of DOSCAR files then you may use this small fortran program to extract the data. I have not written it, only modified it. If you read the source code, you will easily understand how it extracts data and puts it another file. just read it.

http://pastebin.com/eczghrMk

cheers
Last edited by askhetan on Tue Jan 22, 2013 3:55 pm, edited 1 time in total.
In the end, one must accept realism. Saying otherwise would be a denial of incompleteness.

jyoti

Partial dos

#3 Post by jyoti » Wed Jan 23, 2013 9:12 am

thank u sir,,,,,,,,,,
Last edited by jyoti on Wed Jan 23, 2013 9:12 am, edited 1 time in total.

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