Hello,

I'm currentry trying to calculate the lowest frequency eigenvalue of a medium sized compuound (88 atoms) using the keyword $les a 1 (no symmetry)

I already did this once with this very compound but got a negative value, so i used screwer and optimized it again. Optimization

converged, and i tried to start the eigenvalue calculation, but always get "FORTRAN STOP problem too big for mo blocking" after a little time.

I optimized with b-p RI-DFT/SV(P) and do the force calc on the same level. grid is m3 and scfconv 6.

I have no idea where the problem is, as it already worked one time.

Thanks in advance,

stephan.