iterations/neb0_image09_iter283_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 0.374158762581E+03 0.37416E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.333425059387E+01 -0.37082E+03 -0.35818E+03 866 0.196E+02
DAV: 3 -0.967501735067E+02 -0.10008E+03 -0.99760E+02 664 0.117E+02
DAV: 4 -0.101284423751E+03 -0.45343E+01 -0.45235E+01 712 0.287E+01
DAV: 5 -0.101373772328E+03 -0.89349E-01 -0.89309E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926838077797E+02 0.86900E+01 -0.30997E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.918116170225E+02 0.87219E+00 -0.17136E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914356425953E+02 0.37597E+00 -0.54542E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913550218448E+02 0.80621E-01 -0.13084E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913468249787E+02 0.81969E-02 -0.44854E-02 744 0.108E+00 0.303E-01
DAV: 11 -0.913515500214E+02 -0.47250E-02 -0.13313E-02 608 0.598E-01 0.145E-01
DAV: 12 -0.913545527588E+02 -0.30027E-02 -0.28067E-03 620 0.224E-01 0.113E-01
DAV: 13 -0.913583010248E+02 -0.37483E-02 -0.23059E-03 685 0.252E-01 0.489E-02
DAV: 14 -0.913616700960E+02 -0.33691E-02 -0.63523E-04 664 0.135E-01 0.241E-02
DAV: 15 -0.913629633662E+02 -0.12933E-02 -0.11225E-04 704 0.576E-02 0.209E-02
DAV: 16 -0.913642044360E+02 -0.12411E-02 -0.22158E-04 634 0.740E-02 0.157E-02
DAV: 17 -0.913643692006E+02 -0.16476E-03 -0.17371E-05 496 0.360E-02 0.115E-02
DAV: 18 -0.913645976508E+02 -0.22845E-03 -0.87986E-05 612 0.529E-02 0.135E-02
DAV: 19 -0.913646570080E+02 -0.59357E-04 -0.20406E-05 632 0.352E-02 0.408E-03
DAV: 20 -0.913646864741E+02 -0.29466E-04 -0.80675E-06 424 0.142E-02 0.156E-03
DAV: 21 -0.913647090691E+02 -0.22595E-04 -0.36682E-06 445 0.906E-03 0.258E-03
DAV: 22 -0.913647139610E+02 -0.48920E-05 -0.83140E-07 488 0.529E-03
1 F= -.91364714E+02 E0= -.91369476E+02 d E =0.142865E-01