./iterations/neb0_image06_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 0.405184270282E+03 0.40518E+03 -0.15905E+04 424 0.706E+02
DAV: 2 -0.124605653960E+02 -0.41764E+03 -0.39866E+03 601 0.166E+02
DAV: 3 -0.140380788215E+03 -0.12792E+03 -0.12726E+03 536 0.974E+01
DAV: 4 -0.148981419397E+03 -0.86006E+01 -0.85812E+01 472 0.310E+01
DAV: 5 -0.149216060704E+03 -0.23464E+00 -0.23452E+00 528 0.471E+00 0.248E+01
DAV: 6 -0.136864722977E+03 0.12351E+02 -0.37044E+01 443 0.254E+01 0.131E+01
DAV: 7 -0.135400947478E+03 0.14638E+01 -0.47265E+00 496 0.888E+00 0.600E+00
DAV: 8 -0.134770650380E+03 0.63030E+00 -0.92455E-01 488 0.435E+00 0.207E+00
DAV: 9 -0.134612466110E+03 0.15818E+00 -0.27954E-01 480 0.211E+00 0.588E-01
DAV: 10 -0.134591843511E+03 0.20623E-01 -0.50358E-02 488 0.942E-01 0.400E-01
DAV: 11 -0.134582206806E+03 0.96367E-02 -0.97970E-03 480 0.462E-01 0.162E-01
DAV: 12 -0.134577413928E+03 0.47929E-02 -0.74860E-03 480 0.334E-01 0.130E-01
DAV: 13 -0.134581969683E+03 -0.45558E-02 -0.63706E-03 457 0.355E-01 0.108E-01
DAV: 14 -0.134588225945E+03 -0.62563E-02 -0.26911E-03 456 0.231E-01 0.576E-02
DAV: 15 -0.134592134681E+03 -0.39087E-02 -0.13519E-03 496 0.146E-01 0.527E-02
DAV: 16 -0.134596062831E+03 -0.39282E-02 -0.39756E-04 480 0.779E-02 0.254E-02
DAV: 17 -0.134599416115E+03 -0.33533E-02 -0.29331E-04 464 0.559E-02 0.146E-02
DAV: 18 -0.134601143354E+03 -0.17272E-02 -0.15348E-04 504 0.401E-02 0.129E-02
DAV: 19 -0.134602041153E+03 -0.89780E-03 -0.59994E-05 448 0.274E-02 0.549E-03
DAV: 20 -0.134602479991E+03 -0.43884E-03 -0.34201E-05 393 0.188E-02 0.558E-03
DAV: 21 -0.134602639254E+03 -0.15926E-03 -0.76584E-06 336 0.116E-02 0.405E-03
DAV: 22 -0.134602706877E+03 -0.67624E-04 -0.10954E-05 345 0.125E-02 0.387E-03
DAV: 23 -0.134602715914E+03 -0.90370E-05 -0.24220E-06 360 0.739E-03
1 F= -.13460272E+03 E0= -.13460895E+03 d E =0.187028E-01