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delete unnecessary files

Posted: Tue Mar 25, 2025 4:42 pm
by xjxiao
Dear all,
After completing QE's SCF and NSCF calculations in the same folder, the following files are generated:
prefix.wfc
prefix.xml
prefix.save/charge-density.dat
prefix.save/data-file-schema.xml
prefix.save/wfc

Which of these files are necessary for QE's band structure calculations?
Which are required for p2y to generate the SAVE folder?
Due to limited storage, I want to delete unnecessary files.
Thanks for your help!
Xiao

Re: delete unnecessary files

Posted: Tue Mar 25, 2025 4:50 pm
by Daniele Varsano
Dear Xiangjun,

if you have limited storage, you can delete all the QE files after having generated the SAVE directory.
Band structure can also be plotted using ypp.
If you prefer to plot with QE you probably need to keep some files. Most probably you can anyway delete the wfc which are the larger files.

Best,
Daniele