Regarding the REFERENCE Directory
25 views
Skip to first unread message
Shubham Agarwal
Apr 7, 2025, 11:26:52 AMApr 7
to USPEX
Hello USPEX Forum.
I've prepared the INPUT.txt file and executed the command "USPEX -g", which successfully generated the AntiSeeds, Seeds, Specific, and Submission directories.
Within the "Specific" directory, I have set up the required INCAR files (with different accuracy levels) and placed the POTCAR files accordingly.
However, I’m a bit unclear about how the "reference" directory is generated. Could you please clarify which step or calculation produces this "reference" directory and the associated files (i.e., BESTgatheredPOSCARS etc.,...)? Am I supposed to run a particular script/command or VASP job to obtain it?
I have also watched the YouTube tutorials, but unfortunately, those examples already had the reference folder in place, so they didn’t explain how it was generated.
Looking forward to hearing from you soon.
Best regards,
S. Agarwal
Within the "Specific" directory, I have set up the required INCAR files (with different accuracy levels) and placed the POTCAR files accordingly.
However, I’m a bit unclear about how the "reference" directory is generated. Could you please clarify which step or calculation produces this "reference" directory and the associated files (i.e., BESTgatheredPOSCARS etc.,...)? Am I supposed to run a particular script/command or VASP job to obtain it?
I have also watched the YouTube tutorials, but unfortunately, those examples already had the reference folder in place, so they didn’t explain how it was generated.
Looking forward to hearing from you soon.
Best regards,
S. Agarwal
Reply all
Reply to author
Forward
0 new messages