Dear Prof. Blaha, dear All,
Thank you for you comment. When changing numbers as you suggested the
convergence over few cycles didn't look very good. So I decided to redo
the calculation with init_lapw -prec 1 -ecut 0.999, I think this is
safer and I hope the files will be smaller. Once this
i) You need to send small emails (below 40k). Remove old replies from
your mail.
ii) CuO is an antiferromagnet. Did you set case.inst properly (eg. by
instgen -ask) ? You have to know which Cu atom has spin-up and which one
spin-dn.
Did you do a proper AFM calculation of CuO first and
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