Dear Dr. Tran
Thank you very much for your comment. I tried that. But I am still getting the
same error. I noticed from the interface that x lapwso needs -UP switch too.
However I tried as you said without UP switch also. Both the cases failed with
the same error. Below is what I have done.
Hi,
1st mistake: between lapw1 and lapw2 you need to execute lapwso:
x lapwso -orb -p
2nd mistake: do not use "-orb" for lapw1 (during a SO calculation,
the orb potential is included in lapwso and not in lapw1):
x lapw1 -band -up -p
x lapw1 -band -dn -p
FT
On Saturday 2019-03-23 17:58,
Dear developers and users.
I have completed a scf calculation with hubbard U and SOC included using wien2k
18.2. I want to do bandstructure calculation now. I am doing these calculation
as batch job submission to a remote computer. I have completed my scf in a
parallel calculation.
In the
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