Re: [Wien] Segmentation Fault after CORE END

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

Re: [Wien] Segmentation Fault after CORE END

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

Re: [Wien] Segmentation Fault after CORE END

Also, what compiler and version are you using?  Errors like that seem common among the 2016/2017/2018 Intel Fortran compilers [ https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17542.html ].  You could possibly try gfortran or the pre-built executables just to see if it caused

Re: [Wien] Segmentation Fault after CORE END

1) What version of Wien2k are you using? 2) What does "cat *.error" show? This almost certainly has nothing to do with -ec, k-points. Changing ulimit is obsolete (unless you are using an obsolete version of Wien2k). This might be an error in mixer, but is more likely to be a setup error. However,