./iterations/neb0_image03_iter2_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 0.369237681417E+03 0.36924E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.771028868858E+01 -0.36153E+03 -0.34873E+03 834 0.195E+02
DAV: 3 -0.928367618520E+02 -0.10055E+03 -0.10010E+03 717 0.117E+02
DAV: 4 -0.971229031875E+02 -0.42861E+01 -0.42708E+01 685 0.263E+01
DAV: 5 -0.972114605271E+02 -0.88557E-01 -0.88520E-01 728 0.329E+00 0.231E+01
DAV: 6 -0.881241573736E+02 0.90873E+01 -0.31195E+01 693 0.300E+01 0.120E+01
DAV: 7 -0.871980347563E+02 0.92612E+00 -0.17619E+00 712 0.711E+00 0.500E+00
DAV: 8 -0.868073274332E+02 0.39071E+00 -0.80498E-01 712 0.508E+00 0.161E+00
DAV: 9 -0.867361412762E+02 0.71186E-01 -0.14610E-01 720 0.193E+00 0.560E-01
DAV: 10 -0.867255303233E+02 0.10611E-01 -0.21886E-02 709 0.787E-01 0.394E-01
DAV: 11 -0.867258859004E+02 -0.35558E-03 -0.10692E-02 624 0.589E-01 0.208E-01
DAV: 12 -0.867278441938E+02 -0.19583E-02 -0.23490E-03 624 0.371E-01 0.214E-01
DAV: 13 -0.867305664806E+02 -0.27223E-02 -0.32863E-03 600 0.340E-01 0.117E-01
DAV: 14 -0.867336151655E+02 -0.30487E-02 -0.11687E-03 619 0.196E-01 0.969E-02
DAV: 15 -0.867363687028E+02 -0.27535E-02 -0.10078E-03 644 0.199E-01 0.436E-02
DAV: 16 -0.867383026173E+02 -0.19339E-02 -0.33066E-04 666 0.110E-01 0.483E-02
DAV: 17 -0.867393715497E+02 -0.10689E-02 -0.34523E-04 736 0.129E-01 0.256E-02
DAV: 18 -0.867397862290E+02 -0.41468E-03 -0.88977E-05 663 0.624E-02 0.203E-02
DAV: 19 -0.867404220775E+02 -0.63585E-03 -0.11093E-04 625 0.500E-02 0.130E-02
DAV: 20 -0.867405630313E+02 -0.14095E-03 -0.10784E-05 488 0.212E-02 0.601E-03
DAV: 21 -0.867407174838E+02 -0.15445E-03 -0.38798E-05 539 0.317E-02 0.849E-03
DAV: 22 -0.867407568532E+02 -0.39369E-04 -0.56636E-06 477 0.171E-02 0.558E-03
DAV: 23 -0.867407753494E+02 -0.18496E-04 -0.80051E-06 442 0.161E-02 0.205E-03
DAV: 24 -0.867407808705E+02 -0.55211E-05 -0.15674E-06 482 0.673E-03
1 F= -.86740781E+02 E0= -.86748597E+02 d E =0.234477E-01