./iterations/neb0_image04_iter31_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 0.369195168595E+03 0.36920E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.495351367100E+01 -0.36424E+03 -0.35244E+03 861 0.194E+02
DAV: 3 -0.947580204146E+02 -0.99712E+02 -0.99353E+02 680 0.116E+02
DAV: 4 -0.992415027231E+02 -0.44835E+01 -0.44724E+01 728 0.282E+01
DAV: 5 -0.993282506981E+02 -0.86748E-01 -0.86717E-01 728 0.355E+00 0.221E+01
DAV: 6 -0.907985935287E+02 0.85297E+01 -0.30090E+01 666 0.296E+01 0.115E+01
DAV: 7 -0.899389892886E+02 0.85960E+00 -0.16946E+00 728 0.633E+00 0.479E+00
DAV: 8 -0.895358270065E+02 0.40316E+00 -0.60971E-01 704 0.445E+00 0.164E+00
DAV: 9 -0.894449601890E+02 0.90867E-01 -0.13305E-01 728 0.168E+00 0.447E-01
DAV: 10 -0.894353157806E+02 0.96444E-02 -0.43289E-02 733 0.109E+00 0.327E-01
DAV: 11 -0.894396327257E+02 -0.43169E-02 -0.13381E-02 596 0.680E-01 0.159E-01
DAV: 12 -0.894407904755E+02 -0.11577E-02 -0.30016E-03 661 0.296E-01 0.129E-01
DAV: 13 -0.894459113785E+02 -0.51209E-02 -0.60085E-03 705 0.510E-01 0.112E-01
DAV: 14 -0.894478795781E+02 -0.19682E-02 -0.10524E-03 741 0.202E-01 0.762E-02
DAV: 15 -0.894504106774E+02 -0.25311E-02 -0.15432E-03 644 0.222E-01 0.358E-02
DAV: 16 -0.894517738608E+02 -0.13632E-02 -0.15623E-04 693 0.688E-02 0.310E-02
DAV: 17 -0.894529988663E+02 -0.12250E-02 -0.19340E-04 649 0.710E-02 0.155E-02
DAV: 18 -0.894533388995E+02 -0.34003E-03 -0.78146E-05 688 0.464E-02 0.980E-03
DAV: 19 -0.894535116525E+02 -0.17275E-03 -0.11855E-05 469 0.142E-02 0.840E-03
DAV: 20 -0.894535912945E+02 -0.79642E-04 -0.10288E-05 469 0.183E-02 0.306E-03
DAV: 21 -0.894536438338E+02 -0.52539E-04 -0.14424E-05 438 0.181E-02 0.458E-03
DAV: 22 -0.894536468308E+02 -0.29970E-05 -0.15651E-06 528 0.729E-03
1 F= -.89453647E+02 E0= -.89458545E+02 d E =0.146945E-01