./iterations/neb0_image03_iter169_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 0.364057359611E+03 0.36406E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.540112304166E-01 -0.36400E+03 -0.35380E+03 869 0.195E+02
DAV: 3 -0.961680765633E+02 -0.96222E+02 -0.95919E+02 677 0.115E+02
DAV: 4 -0.100245957515E+03 -0.40779E+01 -0.40678E+01 712 0.270E+01
DAV: 5 -0.100326273029E+03 -0.80316E-01 -0.80283E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917129412606E+02 0.86133E+01 -0.30955E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908756171848E+02 0.83732E+00 -0.18363E+00 704 0.639E+00 0.484E+00
DAV: 8 -0.904783278393E+02 0.39729E+00 -0.55149E-01 704 0.429E+00 0.170E+00
DAV: 9 -0.903790167174E+02 0.99311E-01 -0.12497E-01 712 0.207E+00 0.455E-01
DAV: 10 -0.903705243234E+02 0.84924E-02 -0.59277E-02 720 0.139E+00 0.374E-01
DAV: 11 -0.903738984514E+02 -0.33741E-02 -0.15347E-02 605 0.794E-01 0.151E-01
DAV: 12 -0.903750739368E+02 -0.11755E-02 -0.69458E-03 645 0.486E-01 0.152E-01
DAV: 13 -0.903781666732E+02 -0.30927E-02 -0.76996E-03 704 0.666E-01 0.105E-01
DAV: 14 -0.903818303197E+02 -0.36636E-02 -0.21439E-03 653 0.301E-01 0.877E-02
DAV: 15 -0.903838162197E+02 -0.19859E-02 -0.59321E-04 680 0.130E-01 0.464E-02
DAV: 16 -0.903857693968E+02 -0.19532E-02 -0.70756E-04 664 0.146E-01 0.273E-02
DAV: 17 -0.903866397348E+02 -0.87034E-03 -0.97354E-05 688 0.809E-02 0.158E-02
DAV: 18 -0.903875308969E+02 -0.89116E-03 -0.19008E-04 647 0.646E-02 0.110E-02
DAV: 19 -0.903876414064E+02 -0.11051E-03 -0.12080E-05 528 0.297E-02 0.511E-03
DAV: 20 -0.903877686820E+02 -0.12728E-03 -0.36415E-05 556 0.290E-02 0.816E-03
DAV: 21 -0.903878117732E+02 -0.43091E-04 -0.56433E-06 480 0.206E-02 0.470E-03
DAV: 22 -0.903878323517E+02 -0.20579E-04 -0.24804E-05 586 0.302E-02 0.809E-03
DAV: 23 -0.903878429243E+02 -0.10573E-04 -0.54627E-06 440 0.194E-02 0.418E-03
DAV: 24 -0.903878460226E+02 -0.30983E-05 -0.41586E-06 496 0.112E-02
1 F= -.90387846E+02 E0= -.90392691E+02 d E =0.145362E-01