./iterations/neb1_max2_image01_iter65_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 0.344223003120E+03 0.34422E+03 -0.15063E+04 408 0.705E+02
DAV: 2 0.114890949086E+02 -0.33273E+03 -0.31964E+03 568 0.152E+02
DAV: 3 -0.913029373587E+02 -0.10279E+03 -0.96192E+02 544 0.821E+01
DAV: 4 -0.101065589537E+03 -0.97627E+01 -0.89559E+01 482 0.269E+01
DAV: 5 -0.101435864153E+03 -0.37027E+00 -0.36720E+00 552 0.478E+00 0.218E+01
DAV: 6 -0.104213263973E+03 -0.27774E+01 -0.52408E+01 496 0.311E+01 0.325E+01
DAV: 7 -0.927169260831E+02 0.11496E+02 -0.89780E+00 496 0.170E+01 0.135E+01
DAV: 8 -0.899011282087E+02 0.28158E+01 -0.10578E+01 512 0.112E+01 0.923E+00
DAV: 9 -0.911962931206E+02 -0.12952E+01 -0.36476E+00 496 0.768E+00 0.198E+01
DAV: 10 -0.887843321679E+02 0.24120E+01 -0.16694E+00 448 0.577E+00 0.930E+00
DAV: 11 -0.880923905013E+02 0.69194E+00 -0.80808E-01 464 0.361E+00 0.546E+00
DAV: 12 -0.881406065457E+02 -0.48216E-01 -0.18898E+00 480 0.222E+00 0.106E+01
DAV: 13 -0.878277432900E+02 0.31286E+00 -0.77348E-01 480 0.170E+00 0.300E+00
DAV: 14 -0.878623330195E+02 -0.34590E-01 -0.42852E-01 480 0.145E+00 0.417E+00
DAV: 15 -0.878152660063E+02 0.47067E-01 -0.44768E-01 457 0.103E+00 0.208E+00
DAV: 16 -0.877897646338E+02 0.25501E-01 -0.81460E-02 496 0.721E-01 0.217E+00
DAV: 17 -0.877778622632E+02 0.11902E-01 -0.29217E-02 432 0.357E-01 0.110E+00
DAV: 18 -0.877792277276E+02 -0.13655E-02 -0.21660E-02 480 0.304E-01 0.679E-01
DAV: 19 -0.877854979379E+02 -0.62702E-02 -0.18093E-02 520 0.279E-01 0.696E-01
DAV: 20 -0.877900579679E+02 -0.45600E-02 -0.55369E-03 440 0.207E-01 0.374E-01
DAV: 21 -0.877916554014E+02 -0.15974E-02 -0.15384E-03 472 0.101E-01 0.233E-01
DAV: 22 -0.877955577523E+02 -0.39024E-02 -0.26005E-03 432 0.111E-01 0.269E-01
DAV: 23 -0.877986236800E+02 -0.30659E-02 -0.35307E-03 464 0.102E-01 0.300E-01
DAV: 24 -0.877991459092E+02 -0.52223E-03 -0.18912E-03 464 0.649E-02 0.151E-01
DAV: 25 -0.878001887682E+02 -0.10429E-02 -0.38654E-04 416 0.435E-02 0.270E-02
DAV: 26 -0.878009962902E+02 -0.80752E-03 -0.10163E-04 456 0.282E-02 0.226E-02
DAV: 27 -0.878014930595E+02 -0.49677E-03 -0.62387E-05 392 0.199E-02 0.245E-02
DAV: 28 -0.878016922601E+02 -0.19920E-03 -0.24666E-05 392 0.125E-02 0.165E-02
DAV: 29 -0.878018051186E+02 -0.11286E-03 -0.20965E-05 328 0.847E-03 0.286E-02
DAV: 30 -0.878018869067E+02 -0.81788E-04 -0.12541E-05 312 0.714E-03 0.713E-03
DAV: 31 -0.878019103670E+02 -0.23460E-04 -0.24996E-06 272 0.405E-03 0.254E-03
DAV: 32 -0.878019317416E+02 -0.21375E-04 -0.22553E-06 304 0.335E-03 0.517E-03
DAV: 33 -0.878019387258E+02 -0.69842E-05 -0.11301E-06 272 0.227E-03
1 F= -.87801939E+02 E0= -.87775599E+02 d E =-.790196E-01