What version of ifort compiler are you using ?
With new versions (from 2016 on ?) you need to apply the patch for
lapwso discussed in the mailing list a couple of times.
On 04/18/2018 02:06 PM, Md. Fhokrul Islam wrote:
Dear Wien2k users,
I am trying to run a bandstructure calculation of Cd3As2 semi-metal with
spin-orbit coupling. It works fine without spin-orbit coupling (SOC) but
I get the following error wen I turn on SOC .
LAPW2: semicore band-ranges too large
cp: cannot stat \u2018.in.tmp\u2019: No such file or directory
LAPW2: semicore band-ranges too large
(standard_in) 1: syntax error
(standard_in) 1: syntax error
.....
.....
In the mailing list I saw some discussion about 'LAPW2: semicore
band-ranges too large error' but those seem to be related to the choice
of Rmt or RKmax. But in my case I am using Rmt=2.2 for all atoms and
RKmax=7. The output files from both lapw1 and lapwso looks ok but it
crashes at lapw2.
Since it works fine without SOC, I am not sure what parameter I should
change for SOC calculation. I would appreciate any suggestion to fix
the problem.
Thanks,
Fhokrul
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