Dear Quantum espresso community,
I am trying to perform an turbo_davidson calculation on an open shell system
with a Si3H8 structure except with the middle Silicon replaced with a Boron
atom turning it into 2-BSi2H8. If I try and run the calculation with nspin = 2
or noncolin = .true., the turbo_davidson output posts this error message.
Error in routine lr_readin (1):
LSDA is not implemented
If no spin correction is used, the pw.x calculation output declares that it
needs smearing to work but if smearing is used the turbo_davidson.x outputs
this error message
Error in routine lr_readin (1):
turboTDDFT is not extended to metals
Is there any way to get TDDFT to work for this system or indeed any open shell
system? The total charge in this system is 0 and quantum espresso version 6.2
is being used.
Sincerely,
Rishi Rao
University of Florida
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