ABINIT Discussion Forums

Hi, all
I tried to run temperature_final.py to calculate the temperature dependence of the band gap. I made several runs with different k-mesh, and the script give me error starting at centain k-mesh: " Error sending result" and "NULL result without error in PyObject_Call". Google tells me it is possiblely due to the multi-processing with large size of data. The *GKK.nc is 81M each and EIGR2D.nc is 49 M each. I use only one core. I am not sure if this is big enough to cause this problem. Has anybody tested this big size of data before? Any suggestions? Thanks.

I suggest using the ElectronPhononCoupling module to compute the temperature dependence of the eigenvalues or their broadening. It works with very large set of data.

Thanks @ gabriel for valuable suggestion.
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