./iterations/neb0_image01_iter15_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 0.404305947250E+03 0.40431E+03 -0.15923E+04 424 0.706E+02
DAV: 2 -0.125494610887E+02 -0.41686E+03 -0.39867E+03 587 0.166E+02
DAV: 3 -0.138803042991E+03 -0.12625E+03 -0.12548E+03 504 0.974E+01
DAV: 4 -0.148922620545E+03 -0.10120E+02 -0.10092E+02 464 0.339E+01
DAV: 5 -0.149219282628E+03 -0.29666E+00 -0.29653E+00 528 0.531E+00 0.248E+01
DAV: 6 -0.136747890223E+03 0.12471E+02 -0.37263E+01 457 0.260E+01 0.131E+01
DAV: 7 -0.135308873102E+03 0.14390E+01 -0.50342E+00 496 0.907E+00 0.602E+00
DAV: 8 -0.134682422425E+03 0.62645E+00 -0.91045E-01 488 0.441E+00 0.211E+00
DAV: 9 -0.134524677957E+03 0.15774E+00 -0.30171E-01 480 0.218E+00 0.594E-01
DAV: 10 -0.134505413019E+03 0.19265E-01 -0.49606E-02 472 0.962E-01 0.393E-01
DAV: 11 -0.134497061733E+03 0.83513E-02 -0.96480E-03 464 0.444E-01 0.179E-01
DAV: 12 -0.134493282062E+03 0.37797E-02 -0.68727E-03 464 0.290E-01 0.124E-01
DAV: 13 -0.134496635535E+03 -0.33535E-02 -0.28190E-03 433 0.232E-01 0.824E-02
DAV: 14 -0.134504157497E+03 -0.75220E-02 -0.27043E-03 456 0.202E-01 0.518E-02
DAV: 15 -0.134510761460E+03 -0.66040E-02 -0.10319E-03 496 0.130E-01 0.390E-02
DAV: 16 -0.134513893872E+03 -0.31324E-02 -0.32680E-04 472 0.685E-02 0.291E-02
DAV: 17 -0.134515657005E+03 -0.17631E-02 -0.27413E-04 528 0.651E-02 0.130E-02
DAV: 18 -0.134516898355E+03 -0.12413E-02 -0.10723E-04 464 0.370E-02 0.175E-02
DAV: 19 -0.134517496424E+03 -0.59807E-03 -0.26269E-05 408 0.161E-02 0.990E-03
DAV: 20 -0.134517913879E+03 -0.41745E-03 -0.80681E-05 473 0.339E-02 0.919E-03
DAV: 21 -0.134517956296E+03 -0.42418E-04 -0.95283E-06 352 0.153E-02 0.622E-03
DAV: 22 -0.134518044144E+03 -0.87848E-04 -0.32510E-05 409 0.219E-02 0.614E-03
DAV: 23 -0.134518049089E+03 -0.49443E-05 -0.41640E-06 344 0.106E-02
1 F= -.13451805E+03 E0= -.13452351E+03 d E =0.163768E-01