iterations/neb0_image06_iter143_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 0.371920212755E+03 0.37192E+03 -0.14349E+04 640 0.799E+02
DAV: 2 0.373600252651E+01 -0.36818E+03 -0.35609E+03 874 0.193E+02
DAV: 3 -0.959444599116E+02 -0.99680E+02 -0.99354E+02 693 0.116E+02
DAV: 4 -0.100389948635E+03 -0.44455E+01 -0.44331E+01 696 0.276E+01
DAV: 5 -0.100477897737E+03 -0.87949E-01 -0.87907E-01 736 0.348E+00 0.226E+01
DAV: 6 -0.919252732361E+02 0.85526E+01 -0.30488E+01 693 0.302E+01 0.119E+01
DAV: 7 -0.910884344021E+02 0.83684E+00 -0.17092E+00 720 0.629E+00 0.482E+00
DAV: 8 -0.907090896027E+02 0.37934E+00 -0.55387E-01 720 0.413E+00 0.167E+00
DAV: 9 -0.906211082662E+02 0.87981E-01 -0.13076E-01 720 0.164E+00 0.427E-01
DAV: 10 -0.906112754082E+02 0.98329E-02 -0.33851E-02 736 0.926E-01 0.280E-01
DAV: 11 -0.906149768525E+02 -0.37014E-02 -0.84647E-03 621 0.477E-01 0.138E-01
DAV: 12 -0.906176269128E+02 -0.26501E-02 -0.18044E-03 642 0.265E-01 0.832E-02
DAV: 13 -0.906216472461E+02 -0.40203E-02 -0.17163E-03 625 0.199E-01 0.737E-02
DAV: 14 -0.906247836048E+02 -0.31364E-02 -0.12576E-03 744 0.244E-01 0.396E-02
DAV: 15 -0.906267128421E+02 -0.19292E-02 -0.28870E-04 629 0.927E-02 0.425E-02
DAV: 16 -0.906281755376E+02 -0.14627E-02 -0.38093E-04 690 0.117E-01 0.226E-02
DAV: 17 -0.906290176911E+02 -0.84215E-03 -0.15208E-04 648 0.709E-02 0.140E-02
DAV: 18 -0.906292195577E+02 -0.20187E-03 -0.26234E-05 632 0.274E-02 0.869E-03
DAV: 19 -0.906294144580E+02 -0.19490E-03 -0.24136E-05 521 0.211E-02 0.358E-03
DAV: 20 -0.906294543690E+02 -0.39911E-04 -0.26607E-06 504 0.104E-02 0.241E-03
DAV: 21 -0.906294882678E+02 -0.33899E-04 -0.41064E-06 398 0.100E-02 0.194E-03
DAV: 22 -0.906294991063E+02 -0.10838E-04 -0.19277E-06 453 0.770E-03 0.140E-03
DAV: 23 -0.906295006500E+02 -0.15438E-05 -0.90608E-07 528 0.572E-03
1 F= -.90629501E+02 E0= -.90633505E+02 d E =0.120136E-01