The error is exactly what it says:
the program lapwdmc was not found.
ll $WIENROOT/lapwdm*
change into $WIENROOT/SRC_lapwdm and check compile.msg
Check/fix any errors and recompile using
make
make complex
cp lapwdm lapwdmc ..
Am 14.10.2025 um 11:58 schrieb Long Zhang via Wien:
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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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Email: [email protected]
WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
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