iterations/neb0_image01_iter39_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 0.366931527409E+03 0.36693E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.349855348904E+01 -0.36343E+03 -0.35002E+03 839 0.195E+02
DAV: 3 -0.956334193969E+02 -0.99132E+02 -0.98790E+02 669 0.116E+02
DAV: 4 -0.100209225033E+03 -0.45758E+01 -0.45659E+01 693 0.287E+01
DAV: 5 -0.100300141839E+03 -0.90917E-01 -0.90863E-01 736 0.361E+00 0.223E+01
DAV: 6 -0.916656423860E+02 0.86345E+01 -0.31070E+01 712 0.298E+01 0.117E+01
DAV: 7 -0.908466273940E+02 0.81901E+00 -0.18421E+00 720 0.636E+00 0.483E+00
DAV: 8 -0.904651120288E+02 0.38152E+00 -0.56039E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.903789624194E+02 0.86150E-01 -0.13726E-01 696 0.165E+00 0.429E-01
DAV: 10 -0.903732037995E+02 0.57586E-02 -0.45249E-02 736 0.125E+00 0.316E-01
DAV: 11 -0.903770549246E+02 -0.38511E-02 -0.67475E-03 605 0.478E-01 0.142E-01
DAV: 12 -0.903805148228E+02 -0.34599E-02 -0.66758E-03 618 0.471E-01 0.125E-01
DAV: 13 -0.903832537567E+02 -0.27389E-02 -0.12833E-03 845 0.297E-01 0.759E-02
DAV: 14 -0.903862112064E+02 -0.29574E-02 -0.13906E-03 637 0.178E-01 0.567E-02
DAV: 15 -0.903883622658E+02 -0.21511E-02 -0.37825E-04 680 0.119E-01 0.427E-02
DAV: 16 -0.903896994205E+02 -0.13372E-02 -0.64235E-04 661 0.146E-01 0.332E-02
DAV: 17 -0.903905245651E+02 -0.82514E-03 -0.15677E-04 759 0.885E-02 0.205E-02
DAV: 18 -0.903906852639E+02 -0.16070E-03 -0.39434E-05 704 0.326E-02 0.125E-02
DAV: 19 -0.903909474085E+02 -0.26214E-03 -0.53969E-05 616 0.363E-02 0.474E-03
DAV: 20 -0.903909778109E+02 -0.30402E-04 -0.39119E-06 488 0.120E-02 0.490E-03
DAV: 21 -0.903910247103E+02 -0.46899E-04 -0.75380E-06 419 0.166E-02 0.382E-03
DAV: 22 -0.903910422461E+02 -0.17536E-04 -0.34951E-06 477 0.111E-02 0.253E-03
DAV: 23 -0.903910445667E+02 -0.23205E-05 -0.26195E-06 528 0.931E-03
1 F= -.90391045E+02 E0= -.90396570E+02 d E =0.165772E-01