[QE-users] Query regarding crashing of Phonon calculation

Suraj P surajp at iitkgp.ac.in
Wed Jul 15 06:27:23 CEST 2026


Hello,
I was doing a phonon calculation to calculate the vibrational frequency. However, the calculation is getting crashed after displaying the representation mode. I have increased the memory as well as the number of nodes. I couldn’t find where the problem is occurring. I'm attaching here the input and output files of my SCF and phonon calculation. The script file for running this job too is attached herein:

https://drive.google.com/drive/folders/1xcvy7_ixl_axZncExScUMcjd8CUzFymB?usp=sharing

Kindly help me to troubleshoot the error.

Thanking you
Suraj
Research student
IIT India


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