Hello,
I'm trying to compute the spectrum of a crystalline insulator using
turbo_lanczos. I got the following error:
Error in routine lr_readin (1):
k-point algorithm is not tested yet
I guess I could just comment line 477 out in TDDFPT/src/lr_readin.f90
to disable this error:
! K-points are implemented but still unsupported (use at your own risk!)
!
IF (.NOT. gamma_only ) CALL errore('lr_readin', 'k-point
algorithm is not tested yet',1)
But how unstable is this code? Any reason not to try this?
Thanks,
Michal Krompiec
Merck KGaA
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