iterations/neb0_image05_iter170_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 0.371011832429E+03 0.37101E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.425210839767E+01 -0.36676E+03 -0.35276E+03 850 0.195E+02
DAV: 3 -0.953197372577E+02 -0.99572E+02 -0.99242E+02 672 0.116E+02
DAV: 4 -0.999957789781E+02 -0.46760E+01 -0.46647E+01 720 0.287E+01
DAV: 5 -0.100089672468E+03 -0.93893E-01 -0.93840E-01 728 0.361E+00 0.223E+01
DAV: 6 -0.915746551741E+02 0.85150E+01 -0.30071E+01 672 0.297E+01 0.118E+01
DAV: 7 -0.907473864267E+02 0.82727E+00 -0.18379E+00 736 0.644E+00 0.482E+00
DAV: 8 -0.903676579176E+02 0.37973E+00 -0.54051E-01 728 0.425E+00 0.170E+00
DAV: 9 -0.902788800159E+02 0.88778E-01 -0.14371E-01 720 0.171E+00 0.449E-01
DAV: 10 -0.902712492691E+02 0.76307E-02 -0.34728E-02 792 0.123E+00 0.305E-01
DAV: 11 -0.902732503096E+02 -0.20010E-02 -0.65600E-03 640 0.472E-01 0.190E-01
DAV: 12 -0.902756948508E+02 -0.24445E-02 -0.59329E-03 632 0.438E-01 0.105E-01
DAV: 13 -0.902788821258E+02 -0.31873E-02 -0.96127E-04 639 0.189E-01 0.847E-02
DAV: 14 -0.902823368151E+02 -0.34547E-02 -0.14104E-03 664 0.183E-01 0.359E-02
DAV: 15 -0.902854488477E+02 -0.31120E-02 -0.37589E-04 661 0.932E-02 0.317E-02
DAV: 16 -0.902873189485E+02 -0.18701E-02 -0.27750E-04 696 0.867E-02 0.137E-02
DAV: 17 -0.902879983053E+02 -0.67936E-03 -0.55430E-05 602 0.368E-02 0.132E-02
DAV: 18 -0.902883887738E+02 -0.39047E-03 -0.73397E-05 637 0.467E-02 0.730E-03
DAV: 19 -0.902884419260E+02 -0.53152E-04 -0.66999E-06 512 0.167E-02 0.561E-03
DAV: 20 -0.902884886308E+02 -0.46705E-04 -0.82239E-06 423 0.186E-02 0.205E-03
DAV: 21 -0.902885161943E+02 -0.27564E-04 -0.46573E-06 480 0.119E-02 0.235E-03
DAV: 22 -0.902885260428E+02 -0.98485E-05 -0.15140E-06 428 0.582E-03
1 F= -.90288526E+02 E0= -.90296914E+02 d E =0.251628E-01