Hello,
what you are getting seems pretty normal to me, but I think it can be
improved. Your calculation converges very badly, partially because
spin-orbit is difficult but also because the starting magnetization is
off by a factor three. Now that you have an idea of how strong the
magnetizati
Hello,
Please find the attached script file (Ni111.sh).
I have already attached the input and output files. The links of the same are
as follows:
input (Ni(111)):
https://drive.google.com/file/d/1PPb6PvDpJECKrtNUSL8RzI73V7XL1zSW/view?usp=drive_link
output1:
https://drive.google.com/file/d/1Hb
