[Wien] Spin orbit coupling problem
Aaron
nkleof at gmail.com
Wed Apr 8 16:23:56 CEST 2009
Dear wien2k developers and users:
I have a problem about spin-orbit coupling calculation. I followed the
procedure listed below:
1) Do a general scf calculation: runsp_lapw -eece -it0 -p -i 100 -ec
0.000001 -NI
2) initso
3) runsp_lapw -so -eece -dm -it0 -p -i 100 -ec 0.000001 -NI
But the calculation stoped with following message in step 3:
> stop error: the required input file hybrid.indmc for the next step could
not be found
Do I need .indmc file? I didn't find any description of this file in
user-guide.
Any advice is appreciated.
Best regards,
Aaron
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