./iterations/neb0_image06_iter11_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 0.405191245217E+03 0.40519E+03 -0.15905E+04 424 0.706E+02
DAV: 2 -0.124609606557E+02 -0.41765E+03 -0.39867E+03 601 0.166E+02
DAV: 3 -0.140380921889E+03 -0.12792E+03 -0.12726E+03 536 0.975E+01
DAV: 4 -0.148981094215E+03 -0.86002E+01 -0.85808E+01 472 0.310E+01
DAV: 5 -0.149215677568E+03 -0.23458E+00 -0.23446E+00 528 0.471E+00 0.248E+01
DAV: 6 -0.136864474917E+03 0.12351E+02 -0.37047E+01 443 0.254E+01 0.131E+01
DAV: 7 -0.135400878303E+03 0.14636E+01 -0.47251E+00 496 0.887E+00 0.600E+00
DAV: 8 -0.134770718738E+03 0.63016E+00 -0.92408E-01 488 0.435E+00 0.207E+00
DAV: 9 -0.134612497647E+03 0.15822E+00 -0.27953E-01 480 0.211E+00 0.588E-01
DAV: 10 -0.134591892268E+03 0.20605E-01 -0.50101E-02 488 0.940E-01 0.400E-01
DAV: 11 -0.134582229503E+03 0.96628E-02 -0.98284E-03 480 0.461E-01 0.162E-01
DAV: 12 -0.134577459396E+03 0.47701E-02 -0.74218E-03 480 0.333E-01 0.130E-01
DAV: 13 -0.134582018367E+03 -0.45590E-02 -0.63184E-03 457 0.353E-01 0.107E-01
DAV: 14 -0.134588326225E+03 -0.63079E-02 -0.27428E-03 456 0.233E-01 0.568E-02
DAV: 15 -0.134592136994E+03 -0.38108E-02 -0.12770E-03 496 0.142E-01 0.526E-02
DAV: 16 -0.134596137879E+03 -0.40009E-02 -0.40756E-04 480 0.785E-02 0.247E-02
DAV: 17 -0.134599439573E+03 -0.33017E-02 -0.28111E-04 464 0.551E-02 0.150E-02
DAV: 18 -0.134601198387E+03 -0.17588E-02 -0.15455E-04 488 0.405E-02 0.124E-02
DAV: 19 -0.134602079552E+03 -0.88116E-03 -0.56972E-05 456 0.263E-02 0.577E-03
DAV: 20 -0.134602531196E+03 -0.45164E-03 -0.34640E-05 393 0.190E-02 0.528E-03
DAV: 21 -0.134602693264E+03 -0.16207E-03 -0.81528E-06 336 0.118E-02 0.412E-03
DAV: 22 -0.134602758137E+03 -0.64873E-04 -0.91801E-06 336 0.118E-02 0.352E-03
DAV: 23 -0.134602767862E+03 -0.97250E-05 -0.27405E-06 344 0.726E-03
1 F= -.13460277E+03 E0= -.13460903E+03 d E =0.187960E-01