[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20231203/8cb00079/attachment.html>


More information about the users mailing list