./iterations/neb0_image07_iter149_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.371627020689E+03 0.37163E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.353854745717E+01 -0.36809E+03 -0.35561E+03 869 0.194E+02
DAV: 3 -0.962387817488E+02 -0.99777E+02 -0.99456E+02 672 0.116E+02
DAV: 4 -0.100997674862E+03 -0.47589E+01 -0.47461E+01 712 0.288E+01
DAV: 5 -0.101096134891E+03 -0.98460E-01 -0.98392E-01 728 0.369E+00 0.226E+01
DAV: 6 -0.925026693154E+02 0.85935E+01 -0.30502E+01 712 0.299E+01 0.119E+01
DAV: 7 -0.916498043375E+02 0.85286E+00 -0.17185E+00 720 0.617E+00 0.478E+00
DAV: 8 -0.912784363854E+02 0.37137E+00 -0.53192E-01 720 0.398E+00 0.164E+00
DAV: 9 -0.911966757522E+02 0.81761E-01 -0.12926E-01 720 0.157E+00 0.423E-01
DAV: 10 -0.911878409847E+02 0.88348E-02 -0.38045E-02 770 0.103E+00 0.284E-01
DAV: 11 -0.911919213870E+02 -0.40804E-02 -0.97732E-03 608 0.525E-01 0.132E-01
DAV: 12 -0.911946812229E+02 -0.27598E-02 -0.21376E-03 635 0.262E-01 0.869E-02
DAV: 13 -0.911984648519E+02 -0.37836E-02 -0.13799E-03 639 0.178E-01 0.586E-02
DAV: 14 -0.912012195685E+02 -0.27547E-02 -0.57108E-04 816 0.191E-01 0.344E-02
DAV: 15 -0.912031072085E+02 -0.18876E-02 -0.31649E-04 655 0.994E-02 0.322E-02
DAV: 16 -0.912044347050E+02 -0.13275E-02 -0.15570E-04 685 0.635E-02 0.186E-02
DAV: 17 -0.912052643082E+02 -0.82960E-03 -0.13968E-04 666 0.577E-02 0.139E-02
DAV: 18 -0.912055389510E+02 -0.27464E-03 -0.41248E-05 664 0.383E-02 0.487E-03
DAV: 19 -0.912056229220E+02 -0.83971E-04 -0.10169E-05 464 0.162E-02 0.420E-03
DAV: 20 -0.912056519510E+02 -0.29029E-04 -0.32922E-06 477 0.113E-02 0.191E-03
DAV: 21 -0.912056692548E+02 -0.17304E-04 -0.34761E-06 415 0.109E-02 0.205E-03
DAV: 22 -0.912056783300E+02 -0.90752E-05 -0.12731E-06 436 0.608E-03
1 F= -.91205678E+02 E0= -.91211484E+02 d E =0.174164E-01