[CP2K-user] [CP2K:16387] Mn spinel: spin and SCI

[Victor Volkov]

Good evening/Good morning

Mn based spinel materials are known for their peculear properties.
I am test-running various settings for 
2 Li4Mn5O12 
where 10 Mn4+ may have 30 unpaired electrons in a unit cell.
Becuase of this, 
regrdless few atoms in a unit cell,
such system might take a long time.
(I use cp2k 9 compiled under cygwin on my notebook
Intel i7-8750H @ 2.20GHz/32 Gb).
I attach the original cif, current input and output files.
May be, a criticism would be good to record.
Thank you.
Victor
PS: I have noticed that even though I instruct the cell to be triclinic,
the putput file reports Alfa, Beta, Gama to be 90 deg,
what seems to be a defect of cp2k

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