Thought of using "structeditor" (got to know from wien2k manual),
terminal returns "command not found".
In the terminal, do you see something like this:
username@computername:~/wiendata/TiC$ structeditor
structeditor: command not found
To use structeditor, see section "9.28.1 Execution' on
Sounds fine to me, but keep in mind that if you change 1 inequivalent
position in StructGen, it should also change all equivalent positions
(seen in XCrySDen). Say you have 1 inequivalent position that has 2
equivalent positions. So if you change the 1 inequivalent, would be
changing 3 atoms
Will it be fine to make supercell using supercell program and then call it
in wien2k user interface by StructGen where i can change the way i want it
(Rename 1 Hf atom ---> Ta, changed Z), save it and use it in further
calculation.
thanks,
A. Kumar
On Thu, Apr 12, 2018 at 8:09 PM, Ashwani Kumar
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