problem with wannier calculation

Queries about input and output files, running specific calculations, etc.


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problem with wannier calculation

#1 Post by jpg » Fri Jul 11, 2025 6:06 pm

A user at SDSC ( www.sdsc.edu) was trying to run a vasp job on our expanse cluster ( www.sdsc.edu/systems/expanse/user_guide.html)

The error message was:

Computing MMN

| LPRJ_CALC_WANNIER_TRAFO: DGESDD returned: 6 |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------

Attached are the OUTCAR and input files.

Thanks,

Jerry

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