Dear Developers and Users, I need help on these three problems. 1) I tried to plot band character by editing case.insp as explained in the user guide, but band character for the selected orbital is not showing. I run a TiC example as test-case and it works fine, what could have been the problem?
2) I run Mg(OH)2 exercise (as contained in the workshop documents) for the optimization of positions. I noticed that the primitive cell and the conventional cell of the Mg(OH)2 is the same when viewed using xcrysden, is this always the case H lattice or there are some exceptions? 3) Please is this command min_lapw -i 150 -p -NI correct? I tried it for non spin polarized case, but the scf terminated at 40 circles with forces not converged. I already have previous scf converged for volume optimization. Thanks for your time, looking forward for help. With kind regards. Lawal
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