Good evening all, I have been using denchar for quite some time. It has been working until I changed the WFS min and max energy. #DENCHAR WFS.Energy.Min -5 eV WFS.Energy.Max -4 eV
Denchar.TypeOfRun 3D Denchar.PlotCharge true Denchar.PlotWaveFunctions true Denchar.CoorUnits Ang Denchar.NumberPointsX 100 Denchar.NumberPointsY 100 Denchar.NumberPointsZ 100 WriteDenchar true Denchar.MinX 0 Ang Denchar.MaxX 20 Ang Denchar.MinY 0 Ang Denchar.MaxY 10 Ang Denchar.MinZ 0 Ang Denchar.MaxZ 20 Ang COOP.Write true Denchar.PlotCharge As a result of this change I got the following error: forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source denchar 0504053 Unknown Unknown Unknown libpthread-2.28.s 00001553B3CD4DD0 Unknown Unknown Unknown denchar 04B8595 Unknown Unknown Unknown denchar 04CE32B Unknown Unknown Unknown denchar 04030E2 Unknown Unknown Unknown libc-2.28.so 00001553B39236A3 __libc_start_main Unknown Unknown denchar 0402FEE Unknown Unknown Unknown May I know why changing the energy range caused that problem? Thank you and looking forward to your thoughts. EL-abed El-abed Haidar | Doctor of Philosophy (Science) Condensed Matter Theory (CMT) Group| School of Physics THE UNIVERSITY OF SYDNEY | NSW | 2006
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
