./iterations/neb0_image08_iter20_OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status: finishedN E dE d eps ncg rms rms(c) DAV: 1 0.406980651225E+03 0.40698E+03 -0.15902E+04 424 0.706E+02 DAV: 2 -0.119442047869E+02 -0.41892E+03 -0.39925E+03 608 0.166E+02 DAV: 3 -0.140577519277E+03 -0.12863E+03 -0.12793E+03 544 0.979E+01 DAV: 4 -0.148939493206E+03 -0.83620E+01 -0.83438E+01 472 0.305E+01 DAV: 5 -0.149163578242E+03 -0.22409E+00 -0.22397E+00 528 0.460E+00 0.248E+01 DAV: 6 -0.136810936036E+03 0.12353E+02 -0.36667E+01 443 0.255E+01 0.131E+01 DAV: 7 -0.135334211711E+03 0.14767E+01 -0.47924E+00 496 0.896E+00 0.599E+00 DAV: 8 -0.134703489461E+03 0.63072E+00 -0.91128E-01 496 0.436E+00 0.206E+00 DAV: 9 -0.134541551903E+03 0.16194E+00 -0.27636E-01 480 0.212E+00 0.576E-01 DAV: 10 -0.134518762592E+03 0.22789E-01 -0.57427E-02 488 0.102E+00 0.398E-01 DAV: 11 -0.134509066736E+03 0.96959E-02 -0.10672E-02 480 0.523E-01 0.165E-01 DAV: 12 -0.134505453264E+03 0.36135E-02 -0.65401E-03 472 0.340E-01 0.137E-01 DAV: 13 -0.134509535709E+03 -0.40824E-02 -0.52075E-03 472 0.373E-01 0.103E-01 DAV: 14 -0.134515452298E+03 -0.59166E-02 -0.26688E-03 456 0.233E-01 0.802E-02 DAV: 15 -0.134520777294E+03 -0.53250E-02 -0.20159E-03 496 0.212E-01 0.524E-02 DAV: 16 -0.134524096538E+03 -0.33192E-02 -0.46383E-04 488 0.917E-02 0.426E-02 DAV: 17 -0.134526393582E+03 -0.22970E-02 -0.15275E-04 464 0.486E-02 0.279E-02 DAV: 18 -0.134529015105E+03 -0.26215E-02 -0.35250E-04 520 0.689E-02 0.115E-02 DAV: 19 -0.134529867327E+03 -0.85222E-03 -0.71241E-05 464 0.353E-02 0.142E-02 DAV: 20 -0.134530286853E+03 -0.41953E-03 -0.23844E-05 400 0.185E-02 0.915E-03 DAV: 21 -0.134530785702E+03 -0.49885E-03 -0.56282E-05 450 0.251E-02 0.604E-03 DAV: 22 -0.134530811685E+03 -0.25983E-04 -0.46897E-06 360 0.106E-02 0.361E-03 DAV: 23 -0.134530885212E+03 -0.73527E-04 -0.62589E-06 313 0.945E-03 0.190E-03 DAV: 24 -0.134530912052E+03 -0.26840E-04 -0.20430E-06 336 0.491E-03 0.184E-03 DAV: 25 -0.134530921970E+03 -0.99181E-05 -0.85895E-07 336 0.386E-03 1 F= -.13453092E+03 E0= -.13453730E+03 d E =0.191253E-01