./neb0_image01_OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.404147829376E+03 0.40415E+03 -0.15922E+04 424 0.706E+02
DAV: 2 -0.125714904357E+02 -0.41672E+03 -0.39853E+03 587 0.166E+02
DAV: 3 -0.138791537304E+03 -0.12622E+03 -0.12544E+03 504 0.974E+01
DAV: 4 -0.148912778070E+03 -0.10121E+02 -0.10094E+02 464 0.339E+01
DAV: 5 -0.149209644499E+03 -0.29687E+00 -0.29673E+00 528 0.531E+00 0.248E+01
DAV: 6 -0.136742818996E+03 0.12467E+02 -0.37267E+01 464 0.260E+01 0.131E+01
DAV: 7 -0.135309326922E+03 0.14335E+01 -0.50615E+00 496 0.908E+00 0.602E+00
DAV: 8 -0.134683172117E+03 0.62615E+00 -0.91362E-01 488 0.442E+00 0.211E+00
DAV: 9 -0.134524990510E+03 0.15818E+00 -0.30264E-01 480 0.219E+00 0.595E-01
DAV: 10 -0.134505711760E+03 0.19279E-01 -0.50692E-02 472 0.971E-01 0.394E-01
DAV: 11 -0.134497471017E+03 0.82407E-02 -0.96597E-03 464 0.447E-01 0.181E-01
DAV: 12 -0.134493626471E+03 0.38445E-02 -0.69642E-03 464 0.292E-01 0.123E-01
DAV: 13 -0.134496792829E+03 -0.31664E-02 -0.28329E-03 441 0.229E-01 0.836E-02
DAV: 14 -0.134504522857E+03 -0.77300E-02 -0.27564E-03 456 0.205E-01 0.513E-02
DAV: 15 -0.134510836329E+03 -0.63135E-02 -0.92692E-04 496 0.122E-01 0.383E-02
DAV: 16 -0.134514191134E+03 -0.33548E-02 -0.35905E-04 464 0.710E-02 0.283E-02
DAV: 17 -0.134515955525E+03 -0.17644E-02 -0.25985E-04 528 0.648E-02 0.129E-02
DAV: 18 -0.134517219239E+03 -0.12637E-02 -0.11716E-04 464 0.381E-02 0.179E-02
DAV: 19 -0.134517716324E+03 -0.49708E-03 -0.19766E-05 376 0.161E-02 0.998E-03
DAV: 20 -0.134518189609E+03 -0.47329E-03 -0.96874E-05 457 0.361E-02 0.105E-02
DAV: 21 -0.134518216389E+03 -0.26780E-04 -0.11056E-05 424 0.159E-02 0.811E-03
DAV: 22 -0.134518285768E+03 -0.69379E-04 -0.25654E-05 409 0.202E-02 0.421E-03
DAV: 23 -0.134518313856E+03 -0.28088E-04 -0.38364E-06 336 0.966E-03 0.305E-03
DAV: 24 -0.134518322013E+03 -0.81569E-05 -0.14092E-06 344 0.455E-03
1 F= -.13451832E+03 E0= -.13452358E+03 d E =0.157791E-01