[QE-users] Disk space problem: are there ways to instruct QE to NOT print wavefunctions file?
alpin novianus
alpinnovianus at yahoo.com
Sun Dec 3 08:14:45 CET 2023
Dear QE experts,
I had my calculations stopped because my disk space is not enough to store the wavefunctions written by QE (ph.x) after the calculation is finished.I am doing electron-phonon = 'lambda_tetra' calculation.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error writing file "..../_ph0/pwscf.q_9/pwscf.wfc501"%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Looking at this error, I realize that in QE, the wavefunction is always written to the disk after the calculation.
I am also a VASP user, and in VASP there is an input tag to not write the wavefunction (LWAVE).Is there a similar method to do this in quantum espresso (ph.x)?
It doesn't seem that the wavefunction files will be needed for the post-processing (?), so I wonder if they don't need to be written actually.
But I may be completely wrong. Please correct me if so.
Thank you for your advice,Best regards,Alpin N. TatanUniversity of Tokyo
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