Error using cube files
Posted: Tue Feb 01, 2022 5:40 pm
Dear Sir
I am having little trouble with some cube files with "bader filename" at terminal. The error message states "forrtl: severe (174): SIGSEGV, segmentation fault occurred". I have also tried "-r -2" option but it did not work for these files. I also tried to reduce the size by reducing grid size to be 0.25 for x, y, and z and it worked but total charge is off by 0.5. Is there a way around this issue? Image shown here uses 0.125 grid size. Thank you very much for your time on this issue.
I am having little trouble with some cube files with "bader filename" at terminal. The error message states "forrtl: severe (174): SIGSEGV, segmentation fault occurred". I have also tried "-r -2" option but it did not work for these files. I also tried to reduce the size by reducing grid size to be 0.25 for x, y, and z and it worked but total charge is off by 0.5. Is there a way around this issue? Image shown here uses 0.125 grid size. Thank you very much for your time on this issue.