[Wien] SCF failed!!!

my_peak at ywzc.net my_peak at ywzc.net
Sat Mar 13 02:21:39 CET 2004


Dear Kevin:
     Thank you very much first.Now I have resolved the problem only by increasing the values of KMAX1,KMAX2 and KMAX3,but I don't know the reason. The former error-file only says 'error in lapw2' instead of 'error in lapw1'.
Best regards!

DW LIU






More information about the Wien mailing list