I am running wien2k 19.1 on a machine of type Linux with the Ubuntu 22.04 LTS, intel fortran compiler (parallel studio) the purpose of my calculation is to get the files to plot graphs
using w2web for the calculation of Optical properties, I m getting NaN errors and I m not able to plot graphs. the program stops at x kram and values are missing I have updated python but it did not work
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html