Using WIEN2k 19.1, I expect it will output:

Select PDOS for V from: tot (give a comma-separated list).

In which case, I think you would need to do:

Select PDOS for V from: tot (give a comma-separated list).
tot

*** For finishing type 'end' ***

Enter the index of the atom for which you want to plot the DOS? (default:1) end

The "projected dos,user own unitary transformation" in your post below must have been a bug in older WIEN2k versions since it looks like the developers changed the program in 19.1 to have "tot" instead (i.e., qtlmain.f source code changed as seen next to SRC_qtl on the updates page [1]).

[1] http://www.wien2k.at/reg_user/updates/

On 3/25/2020 8:58 PM, Wasim Raja Mondal wrote:
Hi Gavin,
              Glad to hear from you. I am able to remove the error. Now it is asking as following:

 (C)2008 by Morteza Jamal

####################################

#                               #

 Configures and creates case3.int <http://case3.int>

#                               #

####################################


atom 1 is O

atom 2 is V


*** For Total DOS type 'total' ***


*** For finishing type 'end' ***


Enter the index of the atom for which you want to plot the DOS? (default:total) 2

Select PDOS for V from: projected dos,user own unitary transformation (give a comma-separated list).





what should I give now?

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