# serial: JuKKR_v3.1-2171-g4e8e776c_gnu_20231110122325
 PRECONDITIONING_start                       0.48600000143051147     
 read potential                               3.2000001519918442E-002
 time until scf starts                       0.51899999380111694     
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   1.0999999940395355E-002
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   1.0999999940395355E-002
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 energyloop                                   6.5549998283386230     
 energy loop                                  6.5560002326965332     
 time after energy loop                       1.0659999847412109     
 Iteration number 001                         7.6220002174377441     
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   1.0999999940395355E-002
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   1.0999999940395355E-002
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7999997437000275E-002
 gref->gmat                                   1.0999999940395355E-002
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 energyloop                                   6.5729999542236328     
 energy loop                                  6.5739998817443848     
 time after energy loop                       1.0700000524520874     
 Iteration number 002                         7.6440000534057617     
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 energyloop                                   6.5370001792907715     
 energy loop                                  6.5390000343322754     
 time after energy loop                       1.0679999589920044     
 Iteration number 003                         7.6069998741149902     
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7999997437000275E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                            0.10300000011920929     
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 energyloop                                   6.5460000038146973     
 energy loop                                  6.5479998588562012     
 time after energy loop                       1.0670000314712524     
 Iteration number 004                         7.6149997711181641     
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   1.0999999940395355E-002
 gonsite->density                             9.3999996781349182E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.7000002861022949E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.7999997437000275E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 gref->gmat                                   8.9999996125698090E-003
 gonsite->density                             9.6000000834465027E-002
 gref->gmat                                   9.9999997764825821E-003
 gonsite->density                             9.4999998807907104E-002
 energyloop                                   6.5479998588562012     
 energy loop                                  6.5500001907348633     
 time after energy loop                       1.0679999589920044     
 Iteration number 005                         7.6180000305175781     
 Total running time                           38.626998901367188     
