./iterations/neb0_image01_iter7_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 0.404446291811E+03 0.40445E+03 -0.15924E+04 424 0.706E+02
DAV: 2 -0.125204688536E+02 -0.41697E+03 -0.39878E+03 587 0.166E+02
DAV: 3 -0.138806867946E+03 -0.12629E+03 -0.12551E+03 504 0.975E+01
DAV: 4 -0.148921727485E+03 -0.10115E+02 -0.10088E+02 464 0.339E+01
DAV: 5 -0.149218365729E+03 -0.29664E+00 -0.29651E+00 528 0.531E+00 0.248E+01
DAV: 6 -0.136744364742E+03 0.12474E+02 -0.37306E+01 457 0.260E+01 0.131E+01
DAV: 7 -0.135306353404E+03 0.14380E+01 -0.50237E+00 496 0.905E+00 0.602E+00
DAV: 8 -0.134680852751E+03 0.62550E+00 -0.90500E-01 488 0.440E+00 0.212E+00
DAV: 9 -0.134522651954E+03 0.15820E+00 -0.30341E-01 480 0.219E+00 0.595E-01
DAV: 10 -0.134503563146E+03 0.19089E-01 -0.48969E-02 472 0.954E-01 0.394E-01
DAV: 11 -0.134495092048E+03 0.84711E-02 -0.95649E-03 464 0.437E-01 0.178E-01
DAV: 12 -0.134491264858E+03 0.38272E-02 -0.68555E-03 472 0.293E-01 0.125E-01
DAV: 13 -0.134494751196E+03 -0.34863E-02 -0.31846E-03 457 0.255E-01 0.857E-02
DAV: 14 -0.134501927424E+03 -0.71762E-02 -0.26642E-03 456 0.203E-01 0.542E-02
DAV: 15 -0.134508062699E+03 -0.61353E-02 -0.11114E-03 528 0.138E-01 0.469E-02
DAV: 16 -0.134511582287E+03 -0.35196E-02 -0.37809E-04 464 0.749E-02 0.320E-02
DAV: 17 -0.134513439196E+03 -0.18569E-02 -0.30570E-04 528 0.696E-02 0.141E-02
DAV: 18 -0.134514789638E+03 -0.13504E-02 -0.10673E-04 464 0.371E-02 0.155E-02
DAV: 19 -0.134515427166E+03 -0.63753E-03 -0.27110E-05 408 0.157E-02 0.850E-03
DAV: 20 -0.134515931515E+03 -0.50435E-03 -0.60405E-05 457 0.269E-02 0.593E-03
DAV: 21 -0.134516011826E+03 -0.80311E-04 -0.65269E-06 344 0.121E-02 0.310E-03
DAV: 22 -0.134516083835E+03 -0.72009E-04 -0.91691E-06 329 0.103E-02 0.224E-03
DAV: 23 -0.134516090239E+03 -0.64045E-05 -0.13831E-06 368 0.558E-03
1 F= -.13451609E+03 E0= -.13452176E+03 d E =0.170167E-01