does it a bug or is the problem with my calculation
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babak abrishamchian
Feb 21, 2023, 12:15:27 PM2/21/23
to USPEX
Dear friends
I am using the USPEX 2022.1 and my input file is related to an XY structure with a fixed composition. I used the randSym =100-230 for searching the space group between this range but unfortunately, the output returned just the P1 (1) as my best structure!!
I am using the USPEX 2022.1 and my input file is related to an XY structure with a fixed composition. I used the randSym =100-230 for searching the space group between this range but unfortunately, the output returned just the P1 (1) as my best structure!!
I would be very grateful if you could guide me through the problem of the program.
I attached my input and the best outputs.
Truly yours
Babak
Daniel Poletaev
Mar 16, 2023, 6:29:28 AM3/16/23
to USPEX
You have a relatively small fraction of initial random symmetry structures. Possibly these structures with random symmetry are higher in energy than this P1 structure. Try to continue you calculation and plot the results to see what is happen.
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