[QE-users] safe to enable "k-point algorithm" in turbo_lanczos?

[Michal Krompiec]

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