Dear Wien2k users and developers,
Hello,
Recently, I have a problem in Wien2k.
The ground state of a magnetic system using GGA+mBJ method did not be reproduced in GGA+mBJ with Fixed spin moment calculation.
It means lowest energy state occurs at another total magnetic moment.
How can I solve this problem?
Any comment will be very helpful for me.
thanks in advance, have a nice day :)
HS |
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