[QE-users] Prefix.save

[Pietro Delugas]

Hi 
Those are temporary files that are created during the run and deleted when the execution terminates after reaching the  convergence. If you find those files and you don’t find the wavefunction files inside the save directory it means that your calculation didn’t terminate correctly. You should check the output. When the job terminates regularly there is written “JOB DONE” at the end of the file. You need also to check for the sentence “Covergence has been reached” or “Convergence has NOT been reached” some lines above. 

Best  regards – Pietro 

Sent from Mail for Windows 10

From: sally issa
Sent: Monday, March 8, 2021 10:52 PM
To: users at lists.quantum-espresso.org
Subject: [QE-users] Prefix.save

Dear users,
I try to calculate the density of state (DOS) but sometimes I find that the wfc files are not located inside prefix.save folder.
But I find that wfc files are generated outside with prefix.mix
That is correctly detected by QE or no?
thank you in advance
Sally ISSA

_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users at lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210309/fbc86cf5/attachment.html>