iterations/neb0_image08_iter259_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 0.374198630689E+03 0.37420E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.392824250790E+01 -0.37027E+03 -0.35789E+03 869 0.196E+02
DAV: 3 -0.965510490447E+02 -0.10048E+03 -0.10015E+03 653 0.117E+02
DAV: 4 -0.101258350406E+03 -0.47073E+01 -0.46953E+01 720 0.293E+01
DAV: 5 -0.101350969471E+03 -0.92619E-01 -0.92568E-01 736 0.371E+00 0.227E+01
DAV: 6 -0.926546999959E+02 0.86963E+01 -0.31026E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.917937785155E+02 0.86092E+00 -0.17278E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914202172313E+02 0.37356E+00 -0.53640E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913393605013E+02 0.80857E-01 -0.13166E-01 736 0.154E+00 0.419E-01
DAV: 10 -0.913310947678E+02 0.82657E-02 -0.45343E-02 752 0.109E+00 0.303E-01
DAV: 11 -0.913359533166E+02 -0.48585E-02 -0.14380E-02 608 0.624E-01 0.153E-01
DAV: 12 -0.913387833207E+02 -0.28300E-02 -0.27613E-03 626 0.225E-01 0.116E-01
DAV: 13 -0.913426303748E+02 -0.38471E-02 -0.30324E-03 639 0.287E-01 0.607E-02
DAV: 14 -0.913457476857E+02 -0.31173E-02 -0.83904E-04 664 0.165E-01 0.231E-02
DAV: 15 -0.913472507977E+02 -0.15031E-02 -0.15785E-04 664 0.609E-02 0.159E-02
DAV: 16 -0.913482977328E+02 -0.10469E-02 -0.12120E-04 647 0.571E-02 0.101E-02
DAV: 17 -0.913486701900E+02 -0.37246E-03 -0.32475E-05 600 0.244E-02 0.868E-03
DAV: 18 -0.913488132191E+02 -0.14303E-03 -0.15831E-05 496 0.245E-02 0.325E-03
DAV: 19 -0.913488951732E+02 -0.81954E-04 -0.11793E-05 453 0.141E-02 0.332E-03
DAV: 20 -0.913489089604E+02 -0.13787E-04 -0.18815E-06 512 0.843E-03 0.186E-03
DAV: 21 -0.913489236061E+02 -0.14646E-04 -0.49922E-06 406 0.138E-02 0.315E-03
DAV: 22 -0.913489242751E+02 -0.66905E-06 -0.10145E-06 504 0.760E-03
1 F= -.91348924E+02 E0= -.91353981E+02 d E =0.151704E-01