since I am dealing with a large system (91 atoms in supercell) some warning occurs during my DMFT run:

*== Compute Band Energy terms for DMFT*

Warning !:Differences between band energy from LDA occupations

and LDA green function is: -0.882458

which is larger than 0.00001

Action: increase number of frequencies, or reduce the number of high energies_dmft bands

Warning !:Differences between band energy from LDA occupations

and LDA green function is: -0.882458

which is larger than 0.00001

Action: increase number of frequencies, or reduce the number of high energies_dmft bands

This error is of course due to a small value of Matsubara frequencies in the linear mesh. In this case is used 10^6 frequencies and the difference decreases to -0.088246 if i increase the number of frequencies to 10^7. But to reach a difference of just 0.00001 it would need a very high value of Matsubara frequencies in the linear mesh.

The question is, can i ignore this warning? Do i do some serious error if i do so? I guess the computational costs would increase rapidly if i increase the Matsubara frequencies e.g to 10^11

I should mention that i do not converge the DMFT over the charge and i only want to solve the Andersion impurity model once (thats why only one DMFT step).

Inputs for LDA and DMFT are given below.

Best regards,

Philipp