[QE-users] The issue with calculating phonons is that it can be challenging

[zhouchao]

Dear QE expert,


I am writing to inquire about a phonon self-consistent calculation issue that I am facing. Specifically, my system is currently being calculated up to the fourth Q-point, but I am unable to continue with the self-consistent calculation beyond this point. After stopping the calculation, I tried to recover the calculation using the "recover=.true." command, but after running for almost a day, there was still no output. the last lines of ph.out are as follow:


...
    Representation    14      1 modes -  To be done


     Representation    15      1 modes -  To be done


     Representation    16      1 modes -  To be done


     Representation    17      1 modes -  To be done


     Representation    18      1 modes -  To be done



and then no  output for a long time.And there were over 1400 lines of output previously, is this normal？


I  am wondering if this issue might be due to a memory overflow, or if there could be other reasons for the calculation's failure to complete. I believe there are no issues with the input file since the calculation up to the third Q-point was successful.


Could you please advise me on how to proceed? Do you require any additional input/output files from me to investigate the issue further? Thank you for your help.


Sincerely,
zhouchao
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