./iterations/neb0_image02_iter171_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 0.363771272733E+03 0.36377E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.188735878499E+01 -0.36188E+03 -0.34995E+03 847 0.195E+02
DAV: 3 -0.956455678916E+02 -0.97533E+02 -0.97202E+02 656 0.115E+02
DAV: 4 -0.100228786083E+03 -0.45832E+01 -0.45722E+01 712 0.288E+01
DAV: 5 -0.100320374148E+03 -0.91588E-01 -0.91555E-01 760 0.363E+00 0.222E+01
DAV: 6 -0.916770314599E+02 0.86433E+01 -0.31024E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908615593213E+02 0.81547E+00 -0.18433E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904804297255E+02 0.38113E+00 -0.55805E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903935907530E+02 0.86839E-01 -0.13682E-01 712 0.167E+00 0.430E-01
DAV: 10 -0.903880291812E+02 0.55616E-02 -0.50002E-02 704 0.129E+00 0.331E-01
DAV: 11 -0.903915283266E+02 -0.34991E-02 -0.75712E-03 616 0.565E-01 0.130E-01
DAV: 12 -0.903947410726E+02 -0.32127E-02 -0.75556E-03 640 0.454E-01 0.139E-01
DAV: 13 -0.903972205887E+02 -0.24795E-02 -0.20175E-03 888 0.356E-01 0.826E-02
DAV: 14 -0.904003676698E+02 -0.31471E-02 -0.14257E-03 642 0.176E-01 0.695E-02
DAV: 15 -0.904023153728E+02 -0.19477E-02 -0.34651E-04 664 0.106E-01 0.535E-02
DAV: 16 -0.904038226988E+02 -0.15073E-02 -0.10435E-03 672 0.189E-01 0.397E-02
DAV: 17 -0.904045465688E+02 -0.72387E-03 -0.15542E-04 736 0.863E-02 0.260E-02
DAV: 18 -0.904048691125E+02 -0.32254E-03 -0.93034E-05 680 0.457E-02 0.899E-03
DAV: 19 -0.904050264098E+02 -0.15730E-03 -0.33556E-05 597 0.288E-02 0.626E-03
DAV: 20 -0.904050588643E+02 -0.32454E-04 -0.32885E-06 504 0.131E-02 0.522E-03
DAV: 21 -0.904051152690E+02 -0.56405E-04 -0.11523E-05 414 0.169E-02 0.335E-03
DAV: 22 -0.904051193487E+02 -0.40798E-05 -0.34984E-06 504 0.114E-02
1 F= -.90405119E+02 E0= -.90411748E+02 d E =0.198874E-01