./iterations/neb1_max2_image01_iter141_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 0.284226511760E+03 0.28423E+03 -0.14245E+04 376 0.704E+02
DAV: 2 0.309669353564E+02 -0.25326E+03 -0.24508E+03 528 0.135E+02
DAV: 3 -0.434438451792E+02 -0.74411E+02 -0.63302E+02 532 0.666E+01
DAV: 4 -0.573753240442E+02 -0.13931E+02 -0.10423E+02 584 0.244E+01
DAV: 5 -0.588942025788E+02 -0.15189E+01 -0.14524E+01 568 0.903E+00 0.261E+01
DAV: 6 -0.115692245424E+03 -0.56798E+02 -0.65687E+02 656 0.428E+01 0.476E+01
DAV: 7 -0.536946428887E+02 0.61998E+02 -0.57049E+01 544 0.174E+01 0.281E+01
DAV: 8 -0.467331847527E+02 0.69615E+01 -0.34780E+01 601 0.140E+01 0.243E+01
DAV: 9 -0.445387877316E+02 0.21944E+01 -0.47406E+00 640 0.529E+00 0.243E+01
DAV: 10 -0.436548904066E+02 0.88390E+00 -0.13523E+01 624 0.410E+00 0.308E+01
DAV: 11 -0.423879521176E+02 0.12669E+01 -0.45899E+01 648 0.469E+00 0.208E+01
DAV: 12 -0.467984584132E+02 -0.44105E+01 -0.17880E+01 576 0.657E+00 0.334E+01
DAV: 13 -0.423414310822E+02 0.44570E+01 -0.31689E+00 634 0.384E+00 0.288E+01
DAV: 14 -0.402883775234E+02 0.20531E+01 -0.19051E+00 568 0.247E+00 0.207E+01
DAV: 15 -0.393152586753E+02 0.97312E+00 -0.30387E+00 642 0.258E+00 0.117E+01
DAV: 16 -0.392827204217E+02 0.32538E-01 -0.18289E+00 608 0.163E+00 0.106E+01
DAV: 17 -0.404645052175E+02 -0.11818E+01 -0.55670E+00 664 0.178E+00 0.178E+01
DAV: 18 -0.397345555273E+02 0.72995E+00 -0.49361E-01 556 0.138E+00 0.159E+01
DAV: 19 -0.393399480453E+02 0.39461E+00 -0.38543E+00 605 0.158E+00 0.125E+01
DAV: 20 -0.391455750427E+02 0.19437E+00 -0.39750E-01 522 0.121E+00 0.962E+00
DAV: 21 -0.391003614259E+02 0.45214E-01 -0.16289E-01 688 0.539E-01 0.752E+00
DAV: 22 -0.392996404533E+02 -0.19928E+00 -0.91382E-01 624 0.727E-01 0.159E+01
DAV: 23 -0.392155849605E+02 0.84055E-01 -0.85102E-02 586 0.461E-01 0.131E+01
DAV: 24 -0.390227822832E+02 0.19280E+00 -0.65213E-01 552 0.598E-01 0.400E+00
DAV: 25 -0.390744843825E+02 -0.51702E-01 -0.91103E-02 546 0.456E-01 0.378E+00
DAV: 26 -0.391165553130E+02 -0.42071E-01 -0.70032E-02 624 0.288E-01 0.617E+00
DAV: 27 -0.391453883426E+02 -0.28833E-01 -0.10227E-01 626 0.330E-01 0.934E+00
DAV: 28 -0.390837562799E+02 0.61632E-01 -0.66977E-02 512 0.273E-01 0.566E+00
DAV: 29 -0.391151654062E+02 -0.31409E-01 -0.60940E-01 610 0.505E-01 0.602E+00
DAV: 30 -0.391063041289E+02 0.88613E-02 -0.72695E-02 528 0.379E-01 0.491E+00
DAV: 31 -0.390990505439E+02 0.72536E-02 -0.29497E-02 585 0.193E-01 0.475E+00
DAV: 32 -0.390911510260E+02 0.78995E-02 -0.21187E-01 603 0.330E-01 0.323E+00
DAV: 33 -0.391226426024E+02 -0.31492E-01 -0.25431E-01 640 0.385E-01 0.538E+00
DAV: 34 -0.390851586504E+02 0.37484E-01 -0.66350E-02 458 0.237E-01 0.123E+00
DAV: 35 -0.390956813376E+02 -0.10523E-01 -0.25580E-02 538 0.186E-01 0.190E+00
DAV: 36 -0.390931825581E+02 0.24988E-02 -0.24679E-02 568 0.171E-01 0.858E-01
DAV: 37 -0.390942128399E+02 -0.10303E-02 -0.33281E-03 418 0.786E-02 0.252E-01
DAV: 38 -0.390945459856E+02 -0.33315E-03 -0.73208E-04 440 0.383E-02 0.219E-01
DAV: 39 -0.390946853308E+02 -0.13935E-03 -0.20885E-04 393 0.273E-02 0.612E-02
DAV: 40 -0.390948715342E+02 -0.18620E-03 -0.33229E-04 448 0.208E-02 0.237E-01
DAV: 41 -0.390948555388E+02 0.15995E-04 -0.12494E-04 320 0.182E-02 0.896E-02
DAV: 42 -0.390949037039E+02 -0.48165E-04 -0.17049E-04 296 0.137E-02 0.923E-02
DAV: 43 -0.390949102031E+02 -0.64992E-05 -0.42408E-05 272 0.109E-02
1 F= -.39094910E+02 E0= -.38989667E+02 d E =-.315729E+00