./iterations/neb1_max2_image01_iter127_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 0.283684449878E+03 0.28368E+03 -0.14245E+04 376 0.704E+02
DAV: 2 0.307938469533E+02 -0.25289E+03 -0.24475E+03 528 0.135E+02
DAV: 3 -0.437400803247E+02 -0.74534E+02 -0.63448E+02 524 0.665E+01
DAV: 4 -0.572449117619E+02 -0.13505E+02 -0.10019E+02 576 0.240E+01
DAV: 5 -0.589049000568E+02 -0.16600E+01 -0.15675E+01 576 0.927E+00 0.262E+01
DAV: 6 -0.116511546119E+03 -0.57607E+02 -0.66408E+02 656 0.425E+01 0.476E+01
DAV: 7 -0.540333447290E+02 0.62478E+02 -0.66401E+01 560 0.170E+01 0.279E+01
DAV: 8 -0.467099924649E+02 0.73234E+01 -0.32789E+01 568 0.143E+01 0.246E+01
DAV: 9 -0.436147124543E+02 0.30953E+01 -0.58707E+00 648 0.585E+00 0.230E+01
DAV: 10 -0.398961982941E+02 0.37185E+01 -0.16958E+01 688 0.308E+00 0.183E+01
DAV: 11 -0.440831212175E+02 -0.41869E+01 -0.36671E+01 632 0.663E+00 0.322E+01
DAV: 12 -0.432100726823E+02 0.87305E+00 -0.20636E+01 656 0.476E+00 0.222E+01
DAV: 13 -0.407040466390E+02 0.25060E+01 -0.50433E+00 656 0.457E+00 0.224E+01
DAV: 14 -0.402682731564E+02 0.43577E+00 -0.30462E+00 667 0.246E+00 0.213E+01
DAV: 15 -0.396357851462E+02 0.63249E+00 -0.33529E+00 640 0.151E+00 0.222E+01
DAV: 16 -0.392695335518E+02 0.36625E+00 -0.26989E+00 531 0.173E+00 0.128E+01
DAV: 17 -0.396351172380E+02 -0.36558E+00 -0.12729E+00 608 0.172E+00 0.117E+01
DAV: 18 -0.398764009380E+02 -0.24128E+00 -0.10839E+00 688 0.115E+00 0.169E+01
DAV: 19 -0.395845786439E+02 0.29182E+00 -0.13843E+00 660 0.970E-01 0.112E+01
DAV: 20 -0.396153133409E+02 -0.30735E-01 -0.13474E+00 536 0.119E+00 0.151E+01
DAV: 21 -0.390601514661E+02 0.55516E+00 -0.67928E-01 601 0.122E+00 0.718E+00
DAV: 22 -0.392422343899E+02 -0.18208E+00 -0.15084E+00 568 0.920E-01 0.123E+01
DAV: 23 -0.391239481297E+02 0.11829E+00 -0.80528E-01 617 0.794E-01 0.877E+00
DAV: 24 -0.390471950659E+02 0.76753E-01 -0.53099E-01 592 0.685E-01 0.454E+00
DAV: 25 -0.391757011073E+02 -0.12851E+00 -0.23030E-01 577 0.545E-01 0.132E+01
DAV: 26 -0.390432596017E+02 0.13244E+00 -0.11851E-01 536 0.380E-01 0.738E+00
DAV: 27 -0.390314329275E+02 0.11827E-01 -0.73571E-02 544 0.306E-01 0.271E+00
DAV: 28 -0.390599197252E+02 -0.28487E-01 -0.99267E-02 568 0.338E-01 0.278E+00
DAV: 29 -0.390607363680E+02 -0.81664E-03 -0.90304E-03 475 0.254E-01 0.239E+00
DAV: 30 -0.390604997159E+02 0.23665E-03 -0.78626E-03 473 0.124E-01 0.172E+00
DAV: 31 -0.390627994658E+02 -0.22997E-02 -0.22832E-02 593 0.142E-01 0.111E+00
DAV: 32 -0.390641669879E+02 -0.13675E-02 -0.24484E-03 434 0.121E-01 0.867E-01
DAV: 33 -0.390717921913E+02 -0.76252E-02 -0.38996E-02 624 0.127E-01 0.254E+00
DAV: 34 -0.390633650345E+02 0.84272E-02 -0.15008E-02 480 0.139E-01 0.875E-01
DAV: 35 -0.390679203817E+02 -0.45553E-02 -0.10040E-02 577 0.118E-01 0.137E+00
DAV: 36 -0.390651408597E+02 0.27795E-02 -0.39495E-03 564 0.108E-01 0.332E-01
DAV: 37 -0.390662046411E+02 -0.10638E-02 -0.94654E-04 425 0.551E-02 0.977E-02
DAV: 38 -0.390664420386E+02 -0.23740E-03 -0.58823E-05 418 0.279E-02 0.577E-02
DAV: 39 -0.390665208884E+02 -0.78850E-04 -0.30179E-05 329 0.119E-02 0.963E-02
DAV: 40 -0.390665729011E+02 -0.52013E-04 -0.16429E-04 266 0.116E-02 0.136E-01
DAV: 41 -0.390665902348E+02 -0.17334E-04 -0.80158E-05 252 0.127E-02 0.182E-01
DAV: 42 -0.390665655736E+02 0.24661E-04 -0.16338E-04 272 0.966E-03 0.288E-02
DAV: 43 -0.390666111632E+02 -0.45590E-04 -0.27439E-05 251 0.114E-02 0.111E-01
DAV: 44 -0.390665912623E+02 0.19901E-04 -0.20044E-05 237 0.780E-03 0.736E-02
DAV: 45 -0.390665940645E+02 -0.28022E-05 -0.15168E-05 230 0.468E-03
1 F= -.39066594E+02 E0= -.38960021E+02 d E =-.319719E+00