iterations/neb0_image06_iter122_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 0.375755822648E+03 0.37576E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.374937490917E+01 -0.37201E+03 -0.36005E+03 882 0.195E+02
DAV: 3 -0.955297490997E+02 -0.99279E+02 -0.98953E+02 640 0.117E+02
DAV: 4 -0.100306094166E+03 -0.47763E+01 -0.47644E+01 696 0.298E+01
DAV: 5 -0.100404561338E+03 -0.98467E-01 -0.98419E-01 736 0.382E+00 0.226E+01
DAV: 6 -0.918112171726E+02 0.85933E+01 -0.30777E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.909957852060E+02 0.81543E+00 -0.17532E+00 720 0.632E+00 0.480E+00
DAV: 8 -0.906187129630E+02 0.37707E+00 -0.49438E-01 728 0.398E+00 0.169E+00
DAV: 9 -0.905263687069E+02 0.92344E-01 -0.13867E-01 720 0.173E+00 0.419E-01
DAV: 10 -0.905175298916E+02 0.88388E-02 -0.38103E-02 800 0.103E+00 0.295E-01
DAV: 11 -0.905219018945E+02 -0.43720E-02 -0.14367E-02 602 0.731E-01 0.178E-01
DAV: 12 -0.905229782039E+02 -0.10763E-02 -0.23814E-03 690 0.312E-01 0.120E-01
DAV: 13 -0.905280557386E+02 -0.50775E-02 -0.51448E-03 686 0.475E-01 0.986E-02
DAV: 14 -0.905292215710E+02 -0.11658E-02 -0.70832E-04 776 0.183E-01 0.766E-02
DAV: 15 -0.905315910206E+02 -0.23694E-02 -0.10655E-03 661 0.201E-01 0.268E-02
DAV: 16 -0.905339613271E+02 -0.23703E-02 -0.35434E-04 650 0.972E-02 0.313E-02
DAV: 17 -0.905349695150E+02 -0.10082E-02 -0.60724E-05 605 0.431E-02 0.225E-02
DAV: 18 -0.905355741244E+02 -0.60461E-03 -0.22181E-04 634 0.948E-02 0.148E-02
DAV: 19 -0.905356925349E+02 -0.11841E-03 -0.28240E-05 624 0.388E-02 0.106E-02
DAV: 20 -0.905357881401E+02 -0.95605E-04 -0.27993E-05 543 0.294E-02 0.386E-03
DAV: 21 -0.905358312301E+02 -0.43090E-04 -0.35844E-06 453 0.128E-02 0.210E-03
DAV: 22 -0.905358476327E+02 -0.16403E-04 -0.29442E-06 466 0.840E-03 0.123E-03
DAV: 23 -0.905358536884E+02 -0.60557E-05 -0.82676E-07 433 0.424E-03
1 F= -.90535854E+02 E0= -.90544084E+02 d E =0.246903E-01