you do not run
x lapwso -band -up -p
x lapwso -band -dn -p
but only ONE lapwso line (without -band) since so couples up and dn spins
anyway:
x lapwso -up -p
Am 14.05.2015 um 15:36 schrieb Peram sreenivasa reddy:
Dear Wien2k,
I am getting error while calculating band structure in spin orbit
Dear Wien2k,
I am getting error while calculating band structure in spin orbit case for
a magnetic material.
Here are the commands.
For scf calculations i gave the following command
*runsp_lapw -so -ec 0.01 -p*
It completed successfully.
After that i created case.klist_band and i gave Ef
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