./iterations/neb1_max2_image01_iter86_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 0.278262298528E+03 0.27826E+03 -0.14306E+04 384 0.704E+02
DAV: 2 0.291646675986E+02 -0.24910E+03 -0.24138E+03 528 0.135E+02
DAV: 3 -0.441924864960E+02 -0.73357E+02 -0.61810E+02 532 0.656E+01
DAV: 4 -0.574178234878E+02 -0.13225E+02 -0.99133E+01 568 0.239E+01
DAV: 5 -0.589123107303E+02 -0.14945E+01 -0.14036E+01 568 0.881E+00 0.262E+01
DAV: 6 -0.117187714780E+03 -0.58275E+02 -0.67451E+02 656 0.427E+01 0.478E+01
DAV: 7 -0.541105640574E+02 0.63077E+02 -0.60264E+01 552 0.169E+01 0.279E+01
DAV: 8 -0.466384800540E+02 0.74721E+01 -0.32538E+01 560 0.141E+01 0.246E+01
DAV: 9 -0.436206047308E+02 0.30179E+01 -0.59651E+00 656 0.600E+00 0.232E+01
DAV: 10 -0.406925447236E+02 0.29281E+01 -0.30333E+01 688 0.375E+00 0.188E+01
DAV: 11 -0.450166451207E+02 -0.43241E+01 -0.32926E+01 624 0.794E+00 0.318E+01
DAV: 12 -0.427439899525E+02 0.22727E+01 -0.14837E+01 624 0.491E+00 0.207E+01
DAV: 13 -0.401282396513E+02 0.26158E+01 -0.32889E+00 656 0.350E+00 0.163E+01
DAV: 14 -0.399865675624E+02 0.14167E+00 -0.34414E+00 688 0.224E+00 0.240E+01
DAV: 15 -0.399484091091E+02 0.38158E-01 -0.64511E+00 592 0.168E+00 0.186E+01
DAV: 16 -0.392418345249E+02 0.70657E+00 -0.34351E+00 674 0.156E+00 0.119E+01
DAV: 17 -0.396966414426E+02 -0.45481E+00 -0.31303E+00 688 0.191E+00 0.168E+01
DAV: 18 -0.399300877758E+02 -0.23345E+00 -0.17858E+00 681 0.135E+00 0.197E+01
DAV: 19 -0.396126752697E+02 0.31741E+00 -0.60865E-01 688 0.907E-01 0.171E+01
DAV: 20 -0.389997760441E+02 0.61290E+00 -0.10104E+00 578 0.821E-01 0.639E+00
DAV: 21 -0.391803380204E+02 -0.18056E+00 -0.97082E-01 648 0.963E-01 0.118E+01
DAV: 22 -0.390942074062E+02 0.86131E-01 -0.34533E-01 576 0.744E-01 0.750E+00
DAV: 23 -0.390636988840E+02 0.30509E-01 -0.43111E-02 560 0.293E-01 0.580E+00
DAV: 24 -0.391603342432E+02 -0.96635E-01 -0.24920E-01 688 0.405E-01 0.104E+01
DAV: 25 -0.391384302964E+02 0.21904E-01 -0.41419E-02 508 0.326E-01 0.116E+01
DAV: 26 -0.390119947743E+02 0.12644E+00 -0.20122E-01 632 0.334E-01 0.343E+00
DAV: 27 -0.390713403513E+02 -0.59346E-01 -0.31463E-01 640 0.506E-01 0.602E+00
DAV: 28 -0.390507006024E+02 0.20640E-01 -0.22203E-01 590 0.429E-01 0.310E+00
DAV: 29 -0.390652984009E+02 -0.14598E-01 -0.13658E-01 552 0.319E-01 0.385E+00
DAV: 30 -0.390515870606E+02 0.13711E-01 -0.15874E-01 688 0.309E-01 0.176E+00
DAV: 31 -0.390615527258E+02 -0.99657E-02 -0.58157E-02 464 0.219E-01 0.294E+00
DAV: 32 -0.390512814925E+02 0.10271E-01 -0.38983E-02 560 0.188E-01 0.124E+00
DAV: 33 -0.390561942221E+02 -0.49127E-02 -0.93389E-03 390 0.172E-01 0.754E-01
DAV: 34 -0.390561626008E+02 0.31621E-04 -0.17347E-03 548 0.956E-02 0.375E-01
DAV: 35 -0.390570330325E+02 -0.87043E-03 -0.74587E-04 434 0.452E-02 0.710E-01
DAV: 36 -0.390570746475E+02 -0.41615E-04 -0.42524E-03 632 0.495E-02 0.519E-01
DAV: 37 -0.390571767245E+02 -0.10208E-03 -0.59844E-04 404 0.618E-02 0.329E-01
DAV: 38 -0.390572680033E+02 -0.91279E-04 -0.46304E-04 386 0.290E-02 0.449E-02
DAV: 39 -0.390574082637E+02 -0.14026E-03 -0.87808E-05 315 0.196E-02 0.143E-01
DAV: 40 -0.390574161307E+02 -0.78670E-05 -0.13916E-05 245 0.108E-02
1 F= -.39057416E+02 E0= -.38950345E+02 d E =-.321214E+00