[Wien] how to change the number of SCF cycles

白宇 baiyu1982 at ss.buaa.edu.cn
Tue Jun 6 18:37:05 CEST 2006


Dear WIEN users:

One of my computer had installed the WIEN2K at 2003, which was not installed by me. Now i am using it, but I find that it can only caculate SCF cycles not more than 20. And futher more, during the volume optimized SCF caculation, for which volume change it can only caculate 7 SCF cycles (it can not meet my converge criterion). What can i do to enlarge the numbers of the SCF cycles?

thanks in advance.


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