iterations/neb0_image04_iter232_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 0.367410115458E+03 0.36741E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.999355712941E+00 -0.36641E+03 -0.35507E+03 877 0.195E+02
DAV: 3 -0.960398251333E+02 -0.97039E+02 -0.96750E+02 664 0.116E+02
DAV: 4 -0.100282785418E+03 -0.42430E+01 -0.42338E+01 704 0.277E+01
DAV: 5 -0.100365688963E+03 -0.82904E-01 -0.82874E-01 736 0.348E+00 0.223E+01
DAV: 6 -0.916733849887E+02 0.86923E+01 -0.31186E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908154551499E+02 0.85793E+00 -0.17939E+00 712 0.659E+00 0.485E+00
DAV: 8 -0.904010651103E+02 0.41439E+00 -0.55370E-01 704 0.452E+00 0.176E+00
DAV: 9 -0.903084468295E+02 0.92618E-01 -0.16639E-01 720 0.196E+00 0.535E-01
DAV: 10 -0.902964382579E+02 0.12009E-01 -0.36549E-02 712 0.103E+00 0.343E-01
DAV: 11 -0.902980552779E+02 -0.16170E-02 -0.87050E-03 709 0.497E-01 0.185E-01
DAV: 12 -0.903017100141E+02 -0.36547E-02 -0.44226E-03 615 0.356E-01 0.110E-01
DAV: 13 -0.903056528270E+02 -0.39428E-02 -0.12750E-03 639 0.227E-01 0.700E-02
DAV: 14 -0.903087454669E+02 -0.30926E-02 -0.12008E-03 644 0.185E-01 0.572E-02
DAV: 15 -0.903104985108E+02 -0.17530E-02 -0.37307E-04 1000 0.154E-01 0.392E-02
DAV: 16 -0.903128563500E+02 -0.23578E-02 -0.49718E-04 654 0.133E-01 0.329E-02
DAV: 17 -0.903134607185E+02 -0.60437E-03 -0.12356E-04 856 0.888E-02 0.145E-02
DAV: 18 -0.903141714659E+02 -0.71075E-03 -0.13109E-04 646 0.564E-02 0.129E-02
DAV: 19 -0.903145361712E+02 -0.36471E-03 -0.38559E-05 594 0.308E-02 0.769E-03
DAV: 20 -0.903146228624E+02 -0.86691E-04 -0.21070E-05 562 0.288E-02 0.412E-03
DAV: 21 -0.903146972170E+02 -0.74355E-04 -0.10665E-05 418 0.209E-02 0.213E-03
DAV: 22 -0.903147132328E+02 -0.16016E-04 -0.45127E-06 482 0.928E-03 0.227E-03
DAV: 23 -0.903147165922E+02 -0.33594E-05 -0.95588E-07 498 0.783E-03
1 F= -.90314717E+02 E0= -.90322937E+02 d E =0.246601E-01