Hey all!
I am new to GuassSum software. Although I am able to plot total DOS but I not getting PDOS and ODOS. If I want PDOS plot of only 2 atoms (say) out of a total of 10 atoms (say) of a cluster, Is it possible to do so using this software? Also can we plot ODOS too?
Your suggestions would be highly appreciated.
Thank you!
Dear ma'am,
I got TDOS plot by opening the Guassian's output file only. But If I want to plot, for example- the TDOS of a cluster of 10 atoms along with the DOS for single atom out of a total of 10 atoms in the same plot, is it possible to do so?
Or, If it is not using this software, can anyone suggest me some other software for doing so?
You can use Multiwfn (http://sobereva.com/multiwfn) to very easily plot TDOS, PDOS and OPDOS maps, the fragments can be flexibly defined. As Gaussian user, you can use .fch file as input file. There are examples of plotting various kinds of DOS map in Section 4.10 of Multiwfn manual. If you have any problem, you are highly welcomed to contact me or post message on Multiwfn forum (http://sobereva.com/wfnbbs).
Thank you Tian Lu Sir!
I read the manual and I came to know that Multiwfn works good with Windows but I mostly use Linux. So, Is it compatible with linux machines too?
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