[xcrysden] scf.in crystal structure different from scf.out crystal structure

Idris Muhammad Chiromawa idrismc at jsu.edu.ng
Thu Feb 7 09:20:16 CET 2019


Hi,

i am a new user of xcrysden working on a material using quantum espresso.
After preparing scf.in file I used xcrysden to view my structure which
shows rhombohedral but when i did the scf calculation the scf.out file does
not display same structure as scf.in. Please can someone assist me to
explain the problem.

thank you.

Idris M.C.
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