Dear Wien2k users, I have started to simulate the total energy of a structure (file attached) & obtain an error at the 2nd cycle as below;
Error in LAPW2 'LAPW2' - semicore band-ranges too large, ghostbands ? Any response is eagerly awaited. with regards -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India
G_221_12_1Li_E.struct
Description: Binary data
_______________________________________________ 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