./iterations/neb0_image05_iter12_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 0.404461818215E+03 0.40446E+03 -0.15909E+04 424 0.706E+02
DAV: 2 -0.131097734543E+02 -0.41757E+03 -0.39875E+03 601 0.166E+02
DAV: 3 -0.140223330637E+03 -0.12711E+03 -0.12646E+03 528 0.973E+01
DAV: 4 -0.148982618784E+03 -0.87593E+01 -0.87400E+01 464 0.314E+01
DAV: 5 -0.149224133006E+03 -0.24151E+00 -0.24140E+00 528 0.477E+00 0.248E+01
DAV: 6 -0.136851149476E+03 0.12373E+02 -0.37297E+01 457 0.255E+01 0.131E+01
DAV: 7 -0.135394648345E+03 0.14565E+01 -0.47511E+00 496 0.886E+00 0.600E+00
DAV: 8 -0.134765550813E+03 0.62910E+00 -0.93206E-01 488 0.437E+00 0.209E+00
DAV: 9 -0.134608918181E+03 0.15663E+00 -0.28703E-01 480 0.215E+00 0.596E-01
DAV: 10 -0.134589118274E+03 0.19800E-01 -0.48778E-02 480 0.924E-01 0.404E-01
DAV: 11 -0.134579635348E+03 0.94829E-02 -0.97204E-03 512 0.440E-01 0.170E-01
DAV: 12 -0.134574148370E+03 0.54870E-02 -0.78198E-03 472 0.326E-01 0.128E-01
DAV: 13 -0.134578767422E+03 -0.46191E-02 -0.64823E-03 465 0.326E-01 0.105E-01
DAV: 14 -0.134585014649E+03 -0.62472E-02 -0.23242E-03 488 0.209E-01 0.515E-02
DAV: 15 -0.134589608343E+03 -0.45937E-02 -0.12516E-03 464 0.130E-01 0.477E-02
DAV: 16 -0.134592727274E+03 -0.31189E-02 -0.28835E-04 488 0.665E-02 0.255E-02
DAV: 17 -0.134596945664E+03 -0.42184E-02 -0.58355E-04 456 0.759E-02 0.192E-02
DAV: 18 -0.134597946195E+03 -0.10005E-02 -0.68654E-05 472 0.293E-02 0.171E-02
DAV: 19 -0.134598812530E+03 -0.86634E-03 -0.11830E-04 504 0.399E-02 0.117E-02
DAV: 20 -0.134599173216E+03 -0.36069E-03 -0.26328E-05 400 0.226E-02 0.993E-03
DAV: 21 -0.134599263725E+03 -0.90509E-04 -0.12590E-05 352 0.143E-02 0.494E-03
DAV: 22 -0.134599337463E+03 -0.73739E-04 -0.89544E-06 352 0.124E-02 0.284E-03
DAV: 23 -0.134599375578E+03 -0.38115E-04 -0.30392E-06 336 0.695E-03 0.277E-03
DAV: 24 -0.134599385053E+03 -0.94748E-05 -0.93939E-07 344 0.490E-03
1 F= -.13459939E+03 E0= -.13460551E+03 d E =0.183783E-01