[xcrysden] atoms info

Suraj P surajp at iitkgp.ac.in
Thu Jul 25 11:23:16 CEST 2024


Dear Xcrysden users,

I have a vc-relaxed structure of a super cell which contains 112 atoms which is obtained as pwscf.out. I want to get the Cartesian coordinates of all these atoms where I can copy and use it for input creation in scf calculation of quantum espresso.Is there any short-key in Xcrysden where I can select all atoms and get the cartesian coordinates of all 112 atoms instead of selecting each atoms individually.

Thanking you,
Suraj
IIT 
India 


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