./iterations/neb0_image08_iter216_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 0.373795003430E+03 0.37380E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.353838624507E+01 -0.37026E+03 -0.35782E+03 869 0.196E+02
DAV: 3 -0.966713525646E+02 -0.10021E+03 -0.99898E+02 661 0.117E+02
DAV: 4 -0.101264682889E+03 -0.45933E+01 -0.45799E+01 720 0.288E+01
DAV: 5 -0.101354519604E+03 -0.89837E-01 -0.89782E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926609085213E+02 0.86936E+01 -0.31011E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.917925562126E+02 0.86835E+00 -0.17368E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914169041305E+02 0.37565E+00 -0.53972E-01 720 0.394E+00 0.162E+00
DAV: 9 -0.913367084401E+02 0.80196E-01 -0.13294E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913288837040E+02 0.78247E-02 -0.46269E-02 752 0.110E+00 0.306E-01
DAV: 11 -0.913337813263E+02 -0.48976E-02 -0.15124E-02 616 0.643E-01 0.156E-01
DAV: 12 -0.913365534525E+02 -0.27721E-02 -0.29052E-03 633 0.238E-01 0.113E-01
DAV: 13 -0.913401902819E+02 -0.36368E-02 -0.25409E-03 642 0.264E-01 0.527E-02
DAV: 14 -0.913435687906E+02 -0.33785E-02 -0.90992E-04 661 0.177E-01 0.305E-02
DAV: 15 -0.913446674518E+02 -0.10987E-02 -0.18472E-04 696 0.805E-02 0.229E-02
DAV: 16 -0.913457102403E+02 -0.10428E-02 -0.18091E-04 634 0.791E-02 0.123E-02
DAV: 17 -0.913461980834E+02 -0.48784E-03 -0.42254E-05 661 0.340E-02 0.130E-02
DAV: 18 -0.913463938771E+02 -0.19579E-03 -0.27565E-05 552 0.306E-02 0.611E-03
DAV: 19 -0.913465212278E+02 -0.12735E-03 -0.17082E-05 439 0.180E-02 0.397E-03
DAV: 20 -0.913465430358E+02 -0.21808E-04 -0.34426E-06 520 0.847E-03 0.255E-03
DAV: 21 -0.913465566872E+02 -0.13651E-04 -0.31306E-06 403 0.118E-02 0.191E-03
DAV: 22 -0.913465607686E+02 -0.40814E-05 -0.17491E-06 464 0.646E-03
1 F= -.91346561E+02 E0= -.91351603E+02 d E =0.151272E-01