./iterations/neb0_image06_iter190_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 0.371759808211E+03 0.37176E+03 -0.14354E+04 640 0.799E+02
DAV: 2 0.446927068849E+01 -0.36729E+03 -0.35523E+03 861 0.193E+02
DAV: 3 -0.959907079444E+02 -0.10046E+03 -0.10012E+03 693 0.116E+02
DAV: 4 -0.100517054579E+03 -0.45263E+01 -0.45148E+01 720 0.279E+01
DAV: 5 -0.100607042511E+03 -0.89988E-01 -0.89941E-01 736 0.351E+00 0.227E+01
DAV: 6 -0.920240840595E+02 0.85830E+01 -0.30572E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.911860396486E+02 0.83804E+00 -0.17480E+00 720 0.624E+00 0.481E+00
DAV: 8 -0.908089091927E+02 0.37713E+00 -0.54573E-01 712 0.411E+00 0.165E+00
DAV: 9 -0.907200399937E+02 0.88869E-01 -0.12794E-01 712 0.157E+00 0.420E-01
DAV: 10 -0.907100001555E+02 0.10040E-01 -0.38028E-02 736 0.974E-01 0.287E-01
DAV: 11 -0.907143886868E+02 -0.43885E-02 -0.10238E-02 602 0.523E-01 0.151E-01
DAV: 12 -0.907169681132E+02 -0.25794E-02 -0.22664E-03 632 0.253E-01 0.839E-02
DAV: 13 -0.907210850878E+02 -0.41170E-02 -0.16759E-03 636 0.189E-01 0.584E-02
DAV: 14 -0.907243435674E+02 -0.32585E-02 -0.93587E-04 800 0.226E-01 0.418E-02
DAV: 15 -0.907262608569E+02 -0.19173E-02 -0.36968E-04 637 0.103E-01 0.395E-02
DAV: 16 -0.907273826069E+02 -0.11218E-02 -0.30802E-04 728 0.109E-01 0.156E-02
DAV: 17 -0.907281906752E+02 -0.80807E-03 -0.12506E-04 677 0.552E-02 0.159E-02
DAV: 18 -0.907284548919E+02 -0.26422E-03 -0.20119E-05 528 0.204E-02 0.109E-02
DAV: 19 -0.907285986627E+02 -0.14377E-03 -0.36999E-05 623 0.335E-02 0.375E-03
DAV: 20 -0.907286052870E+02 -0.66243E-05 -0.38985E-06 544 0.108E-02
1 F= -.90728605E+02 E0= -.90733654E+02 d E =0.151469E-01