iterations/neb0_image03_iter55_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 0.367752859144E+03 0.36775E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.389697501724E+01 -0.36386E+03 -0.35059E+03 845 0.195E+02
DAV: 3 -0.953260498290E+02 -0.99223E+02 -0.98891E+02 656 0.116E+02
DAV: 4 -0.100040534575E+03 -0.47145E+01 -0.47041E+01 712 0.294E+01
DAV: 5 -0.100132891624E+03 -0.92357E-01 -0.92318E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.915535443510E+02 0.85793E+01 -0.30610E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.907073876344E+02 0.84616E+00 -0.18525E+00 696 0.642E+00 0.484E+00
DAV: 8 -0.903021180056E+02 0.40527E+00 -0.57720E-01 704 0.437E+00 0.165E+00
DAV: 9 -0.902075767254E+02 0.94541E-01 -0.14234E-01 712 0.173E+00 0.435E-01
DAV: 10 -0.901995547818E+02 0.80219E-02 -0.49198E-02 704 0.119E+00 0.333E-01
DAV: 11 -0.902034919697E+02 -0.39372E-02 -0.83839E-03 608 0.542E-01 0.120E-01
DAV: 12 -0.902065504790E+02 -0.30585E-02 -0.51726E-03 639 0.337E-01 0.133E-01
DAV: 13 -0.902097328310E+02 -0.31824E-02 -0.18074E-03 824 0.343E-01 0.753E-02
DAV: 14 -0.902131377132E+02 -0.34049E-02 -0.11864E-03 636 0.155E-01 0.574E-02
DAV: 15 -0.902155658664E+02 -0.24282E-02 -0.35677E-04 728 0.106E-01 0.361E-02
DAV: 16 -0.902172676086E+02 -0.17017E-02 -0.62604E-04 677 0.137E-01 0.362E-02
DAV: 17 -0.902178912399E+02 -0.62363E-03 -0.15754E-04 736 0.778E-02 0.178E-02
DAV: 18 -0.902182885529E+02 -0.39731E-03 -0.10275E-04 645 0.518E-02 0.937E-03
DAV: 19 -0.902183750413E+02 -0.86488E-04 -0.58454E-06 496 0.174E-02 0.702E-03
DAV: 20 -0.902184534275E+02 -0.78386E-04 -0.21238E-05 489 0.289E-02 0.501E-03
DAV: 21 -0.902184834886E+02 -0.30061E-04 -0.45249E-06 480 0.145E-02 0.249E-03
DAV: 22 -0.902184955030E+02 -0.12014E-04 -0.35281E-06 440 0.101E-02 0.115E-03
DAV: 23 -0.902184993759E+02 -0.38728E-05 -0.85215E-07 480 0.427E-03
1 F= -.90218499E+02 E0= -.90227020E+02 d E =0.255619E-01