Fleur, film robustness, interstitial density potential integral is NaN.
interstitial density potential integral is NaN. I don't see why this happends exactly. 5 Atom Tungsten film. SOC is true (makes no difference), but code is compiled with noSpinOrbitCoupling. invoked in serial. DBG: symor,zorth,oldfleur : F T T
******************juDFT-Error***************** ****Error message:kidx /= stars ****Error occurred in subroutine:prp_xcfft_map ****Hint:something wrong with kmxxc_fft or nxc3_fft ********************************************* juDFT-STOPPED
files: inp.xml