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 version, change case.in0 then run. On Fri, Oct 5, 2018, 17:36 Eric Kenney <[email protected]> wrote: > 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 18.1; I'll look into seeing if I can get it patched. >
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