[Wien] prob MBJ, energy not converged
Hi all, i'm using wien2k11, i got this error when i tried to use the MBJ-GGA calculation, after 40 cycle "energy not converged" !!! ___ 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
[Wien] Desorder type A2 and B2
Salem, I want to know how to study the two types of disorder A2 and B2 in WIEN2k! ___ 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
[Wien] elastic properties problems
Dear Wien2k users, I'm using Wien2k_13 and i have this prob when i try to execute the eos.job after the elast_setup " ls: pas de correspondance " ! ___ 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