Based on the recommendation of Gavin Abo, I entered the struct file by
hand. I got the system to run properly for a bit and did some
calculations. But, upon attempting to change the potential from PBE to
LDA, the mixer began crashing again. Now it's crashing even using PBE.
I'm using version
Everything indicates that there are errors in what you are doing. Based
upon the case.scfm and case.outputm files, the prior error was not in the
mixer, it was a general failure due to incorrect useage.
As one example, you cannot just "change" the potential. At a minimum you
must save the prior
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