./iterations/neb0_image02_iter277_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 0.365297431874E+03 0.36530E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.990944851054E+00 -0.36431E+03 -0.35279E+03 866 0.195E+02
DAV: 3 -0.956839140007E+02 -0.96675E+02 -0.96344E+02 648 0.115E+02
DAV: 4 -0.100215715378E+03 -0.45318E+01 -0.45210E+01 712 0.288E+01
DAV: 5 -0.100305695801E+03 -0.89980E-01 -0.89947E-01 720 0.363E+00 0.222E+01
DAV: 6 -0.916588648628E+02 0.86468E+01 -0.31000E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.908451210940E+02 0.81374E+00 -0.18111E+00 712 0.635E+00 0.484E+00
DAV: 8 -0.904667617161E+02 0.37836E+00 -0.55345E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903826731720E+02 0.84089E-01 -0.13513E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903785361237E+02 0.41370E-02 -0.48467E-02 712 0.127E+00 0.325E-01
DAV: 11 -0.903821416819E+02 -0.36056E-02 -0.73850E-03 621 0.546E-01 0.128E-01
DAV: 12 -0.903855796666E+02 -0.34380E-02 -0.75990E-03 640 0.481E-01 0.141E-01
DAV: 13 -0.903877913982E+02 -0.22117E-02 -0.20865E-03 869 0.346E-01 0.783E-02
DAV: 14 -0.903908675508E+02 -0.30762E-02 -0.14320E-03 615 0.190E-01 0.700E-02
DAV: 15 -0.903925423390E+02 -0.16748E-02 -0.32535E-04 680 0.102E-01 0.598E-02
DAV: 16 -0.903938583819E+02 -0.13160E-02 -0.98120E-04 664 0.194E-01 0.307E-02
DAV: 17 -0.903946244181E+02 -0.76604E-03 -0.13381E-04 656 0.657E-02 0.346E-02
DAV: 18 -0.903949517046E+02 -0.32729E-03 -0.60382E-05 688 0.403E-02 0.223E-02
DAV: 19 -0.903951161971E+02 -0.16449E-03 -0.11475E-04 637 0.613E-02 0.919E-03
DAV: 20 -0.903951540213E+02 -0.37824E-04 -0.87081E-06 504 0.195E-02 0.869E-03
DAV: 21 -0.903951903479E+02 -0.36327E-04 -0.84104E-06 412 0.156E-02 0.499E-03
DAV: 22 -0.903951979518E+02 -0.76039E-05 -0.56946E-06 480 0.147E-02
1 F= -.90395198E+02 E0= -.90400350E+02 d E =0.154567E-01