Hi, I am trying to do a dft+u with soc calculation for Gd, with the following steps (searched from previous post, never did dft+u using Wien2k before):
init_lapw -sp runsp_lapw init_so_lapw init_orb_lapw -orb -f runsp_lapw -orb -so The last step runs for 3 cycles but complains "lapwdmc: Command not found." in each cycle. By the end the density matrix files case.dmatdn/up are empty. It seems something is wrong but I don't know where the problem is. Thanks, Long
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