iterations/neb0_image04_iter213_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 0.365521657086E+03 0.36552E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.182665710238E+01 -0.36369E+03 -0.35128E+03 861 0.194E+02
DAV: 3 -0.959858055474E+02 -0.97812E+02 -0.97510E+02 664 0.116E+02
DAV: 4 -0.100309135081E+03 -0.43233E+01 -0.43140E+01 704 0.281E+01
DAV: 5 -0.100392684845E+03 -0.83550E-01 -0.83519E-01 736 0.351E+00 0.224E+01
DAV: 6 -0.916751581481E+02 0.87175E+01 -0.31176E+01 693 0.298E+01 0.117E+01
DAV: 7 -0.908061586668E+02 0.86900E+00 -0.17770E+00 712 0.643E+00 0.484E+00
DAV: 8 -0.903916982390E+02 0.41446E+00 -0.55452E-01 696 0.442E+00 0.172E+00
DAV: 9 -0.902996388275E+02 0.92059E-01 -0.14832E-01 717 0.194E+00 0.519E-01
DAV: 10 -0.902879743624E+02 0.11664E-01 -0.34999E-02 704 0.985E-01 0.338E-01
DAV: 11 -0.902897164532E+02 -0.17421E-02 -0.87147E-03 709 0.490E-01 0.195E-01
DAV: 12 -0.902926584292E+02 -0.29420E-02 -0.26602E-03 653 0.407E-01 0.126E-01
DAV: 13 -0.902959559128E+02 -0.32975E-02 -0.18063E-03 628 0.296E-01 0.982E-02
DAV: 14 -0.903004922520E+02 -0.45363E-02 -0.24200E-03 620 0.282E-01 0.542E-02
DAV: 15 -0.903017929590E+02 -0.13007E-02 -0.31086E-04 704 0.102E-01 0.453E-02
DAV: 16 -0.903043641956E+02 -0.25712E-02 -0.10094E-03 745 0.216E-01 0.444E-02
DAV: 17 -0.903050853454E+02 -0.72115E-03 -0.16681E-04 712 0.836E-02 0.374E-02
DAV: 18 -0.903057491299E+02 -0.66378E-03 -0.17924E-04 719 0.745E-02 0.159E-02
DAV: 19 -0.903061200812E+02 -0.37095E-03 -0.96838E-05 722 0.585E-02 0.120E-02
DAV: 20 -0.903062885513E+02 -0.16847E-03 -0.14176E-05 472 0.197E-02 0.101E-02
DAV: 21 -0.903063658909E+02 -0.77340E-04 -0.13361E-05 477 0.185E-02 0.384E-03
DAV: 22 -0.903064153383E+02 -0.49447E-04 -0.10304E-05 439 0.167E-02 0.224E-03
DAV: 23 -0.903064225549E+02 -0.72166E-05 -0.20603E-06 496 0.671E-03
1 F= -.90306423E+02 E0= -.90314780E+02 d E =0.250738E-01