Dear Lyudmila thanks for your advices , i do initialization and initso and runsp_lapw - so again , but this error was appeared . in the struct file before so we have 3 inequvalent atoms but after so we have 4 inequvalent atoms . i send to you struct and in2c files .
Thank you very much in advance . _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
