How can I optimize the amount of scratch files in quantum espresso?

28 September 2016 1 7K Report

I would like to print just wave functional of every 10th iteration and the last wave function in my out directory. Is there any way I can do that.

Laalitha S. I. Liyanage

I would guess the way to do this for an scf calculation is to set disk_io = 'low' and electron_maxstep = 10. Then restart until convergence by setting startingwfc='file'. Of course you will have to copy the wfc file manually to another location before each restart to preserve it. Let us know if this works.

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