Dear QE developers, I believe I've discovered a minor bug in the use of the adaptive conv_thr for EXX calculations (or at least an inconsistency between the code and the documentation).
Here is the description of the conv_thr_multi key: When adaptive_thr = .TRUE. the convergence threshold for each scf cycle is given by: min( conv_thr, conv_thr_multi * dexx ) and here is the piece of code that should deal with it: IF ( adapt_thr ) THEN tr2 = MAX(tr2_multi * dexx, tr2_final) WRITE( stdout, 9121 ) tr2 ENDIF I think it should be enough to correct the code like this tr2 = MIN(tr2_multi * dexx, tr2_final) right? Thanks. Best regards, Guido Petretto CEA, Saclay
