./iterations/neb0_image07_iter2_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 0.405999528708E+03 0.40600E+03 -0.15901E+04 424 0.706E+02 DAV: 2 -0.122847888508E+02 -0.41828E+03 -0.39874E+03 608 0.166E+02 DAV: 3 -0.140625459648E+03 -0.12834E+03 -0.12765E+03 544 0.977E+01 DAV: 4 -0.148950667847E+03 -0.83252E+01 -0.83071E+01 472 0.304E+01 DAV: 5 -0.149174138947E+03 -0.22347E+00 -0.22335E+00 528 0.458E+00 0.247E+01 DAV: 6 -0.136849609649E+03 0.12325E+02 -0.36808E+01 443 0.254E+01 0.131E+01 DAV: 7 -0.135380481116E+03 0.14691E+01 -0.47387E+00 496 0.892E+00 0.599E+00 DAV: 8 -0.134749492681E+03 0.63099E+00 -0.91987E-01 488 0.436E+00 0.205E+00 DAV: 9 -0.134588899068E+03 0.16059E+00 -0.27408E-01 472 0.210E+00 0.578E-01 DAV: 10 -0.134566417588E+03 0.22481E-01 -0.55909E-02 488 0.100E+00 0.396E-01 DAV: 11 -0.134556860983E+03 0.95566E-02 -0.10438E-02 480 0.503E-01 0.161E-01 DAV: 12 -0.134552837442E+03 0.40235E-02 -0.65723E-03 472 0.344E-01 0.135E-01 DAV: 13 -0.134557490691E+03 -0.46532E-02 -0.63719E-03 480 0.406E-01 0.101E-01 DAV: 14 -0.134563072393E+03 -0.55817E-02 -0.28049E-03 456 0.235E-01 0.766E-02 DAV: 15 -0.134566928102E+03 -0.38557E-02 -0.13720E-03 496 0.167E-01 0.476E-02 DAV: 16 -0.134571482686E+03 -0.45546E-02 -0.51404E-04 472 0.869E-02 0.413E-02 DAV: 17 -0.134573744929E+03 -0.22622E-02 -0.10906E-04 464 0.404E-02 0.315E-02 DAV: 18 -0.134576332580E+03 -0.25877E-02 -0.51907E-04 552 0.923E-02 0.192E-02 DAV: 19 -0.134577057495E+03 -0.72491E-03 -0.95588E-05 472 0.493E-02 0.154E-02 DAV: 20 -0.134577519033E+03 -0.46154E-03 -0.45182E-05 464 0.236E-02 0.119E-02 DAV: 21 -0.134578034150E+03 -0.51512E-03 -0.51763E-05 450 0.259E-02 0.446E-03 DAV: 22 -0.134578114159E+03 -0.80009E-04 -0.59695E-06 344 0.110E-02 0.352E-03 DAV: 23 -0.134578205747E+03 -0.91588E-04 -0.56332E-06 321 0.750E-03 0.210E-03 DAV: 24 -0.134578233240E+03 -0.27492E-04 -0.23919E-06 336 0.465E-03 0.190E-03 DAV: 25 -0.134578243313E+03 -0.10073E-04 -0.97606E-07 336 0.421E-03 0.795E-04 DAV: 26 -0.134578248497E+03 -0.51840E-05 -0.10778E-06 320 0.417E-03 1 F= -.13457825E+03 E0= -.13458463E+03 d E =0.191571E-01