Dear Xavier and Wien2k users:
Thanks for your reply!
I did the calculation without AFM option. First I ran the SCF without
SO. everything is ok. Then I ran SCF with SO and I got error message
like the following, what is the problem?
Why AFM cannot support the SO?
I want to do mbj+SO calculation
On 8 Feb 2012 10:40:01 bruce.tian wrote:
SO. everything is ok. Then I ran SCF with SO and I got error message
...
forrtl: severe (64): input conversion error, unit 5, file
/home/lapw/NiO-test1/NiO-test1.inso
From here you can see that an error is in the file case.inso.
Namely:
NX
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