iterations/neb0_image03_iter92_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 0.367176255437E+03 0.36718E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.323954693583E+01 -0.36394E+03 -0.35064E+03 845 0.195E+02
DAV: 3 -0.955730233298E+02 -0.98813E+02 -0.98494E+02 661 0.116E+02
DAV: 4 -0.100147474073E+03 -0.45745E+01 -0.45648E+01 712 0.288E+01
DAV: 5 -0.100236690653E+03 -0.89217E-01 -0.89180E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916465387926E+02 0.85902E+01 -0.30692E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.908051589002E+02 0.84138E+00 -0.18291E+00 704 0.638E+00 0.482E+00
DAV: 8 -0.904031153891E+02 0.40204E+00 -0.56161E-01 688 0.429E+00 0.166E+00
DAV: 9 -0.903074362430E+02 0.95679E-01 -0.13595E-01 696 0.176E+00 0.443E-01
DAV: 10 -0.902993277919E+02 0.81085E-02 -0.43338E-02 728 0.110E+00 0.332E-01
DAV: 11 -0.903025724942E+02 -0.32447E-02 -0.68142E-03 672 0.567E-01 0.114E-01
DAV: 12 -0.903049520957E+02 -0.23796E-02 -0.41833E-03 623 0.292E-01 0.115E-01
DAV: 13 -0.903099782241E+02 -0.50261E-02 -0.27591E-03 840 0.386E-01 0.908E-02
DAV: 14 -0.903126280815E+02 -0.26499E-02 -0.70189E-04 672 0.156E-01 0.602E-02
DAV: 15 -0.903153107830E+02 -0.26827E-02 -0.10445E-03 653 0.193E-01 0.350E-02
DAV: 16 -0.903166459783E+02 -0.13352E-02 -0.16571E-04 752 0.839E-02 0.177E-02
DAV: 17 -0.903176632646E+02 -0.10173E-02 -0.15004E-04 661 0.512E-02 0.940E-03
DAV: 18 -0.903179116216E+02 -0.24836E-03 -0.19372E-05 536 0.249E-02 0.429E-03
DAV: 19 -0.903180747394E+02 -0.16312E-03 -0.16711E-05 452 0.170E-02 0.365E-03
DAV: 20 -0.903181096334E+02 -0.34894E-04 -0.31032E-06 512 0.114E-02 0.161E-03
DAV: 21 -0.903181618768E+02 -0.52243E-04 -0.91526E-06 403 0.133E-02 0.246E-03
DAV: 22 -0.903181630284E+02 -0.11516E-05 -0.11635E-06 536 0.711E-03
1 F= -.90318163E+02 E0= -.90326519E+02 d E =0.250693E-01