./iterations/neb0_image04_iter19_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 0.361739478567E+03 0.36174E+03 -0.14261E+04 632 0.799E+02
DAV: 2 0.508681327663E+01 -0.35665E+03 -0.34432E+03 842 0.193E+02
DAV: 3 -0.934509649736E+02 -0.98538E+02 -0.98104E+02 680 0.115E+02
DAV: 4 -0.980618627745E+02 -0.46109E+01 -0.45968E+01 704 0.282E+01
DAV: 5 -0.981616784238E+02 -0.99816E-01 -0.99765E-01 728 0.364E+00 0.215E+01
DAV: 6 -0.897887272335E+02 0.83730E+01 -0.30806E+01 712 0.297E+01 0.111E+01
DAV: 7 -0.890380973661E+02 0.75063E+00 -0.16863E+00 728 0.654E+00 0.474E+00
DAV: 8 -0.886633314182E+02 0.37477E+00 -0.59987E-01 728 0.450E+00 0.171E+00
DAV: 9 -0.885784175329E+02 0.84914E-01 -0.13430E-01 720 0.172E+00 0.468E-01
DAV: 10 -0.885707194813E+02 0.76981E-02 -0.35803E-02 720 0.920E-01 0.326E-01
DAV: 11 -0.885715683845E+02 -0.84890E-03 -0.34567E-03 664 0.437E-01 0.179E-01
DAV: 12 -0.885760430350E+02 -0.44747E-02 -0.10168E-02 607 0.539E-01 0.178E-01
DAV: 13 -0.885771895428E+02 -0.11465E-02 -0.25863E-03 752 0.365E-01 0.798E-02
DAV: 14 -0.885809355630E+02 -0.37460E-02 -0.22199E-03 622 0.282E-01 0.713E-02
DAV: 15 -0.885827390206E+02 -0.18035E-02 -0.29616E-04 685 0.110E-01 0.587E-02
DAV: 16 -0.885852009304E+02 -0.24619E-02 -0.13018E-03 727 0.233E-01 0.485E-02
DAV: 17 -0.885859156747E+02 -0.71474E-03 -0.20581E-04 768 0.101E-01 0.328E-02
DAV: 18 -0.885864269398E+02 -0.51127E-03 -0.16435E-04 701 0.693E-02 0.143E-02
DAV: 19 -0.885869211110E+02 -0.49417E-03 -0.78080E-05 717 0.462E-02 0.103E-02
DAV: 20 -0.885871388497E+02 -0.21774E-03 -0.16750E-05 549 0.243E-02 0.593E-03
DAV: 21 -0.885872258069E+02 -0.86957E-04 -0.17873E-05 477 0.225E-02 0.317E-03
DAV: 22 -0.885872640878E+02 -0.38281E-04 -0.45992E-06 450 0.970E-03 0.239E-03
DAV: 23 -0.885872761720E+02 -0.12084E-04 -0.19512E-06 485 0.650E-03 0.100E-03
DAV: 24 -0.885872820445E+02 -0.58725E-05 -0.11712E-06 431 0.445E-03
1 F= -.88587282E+02 E0= -.88598097E+02 d E =0.324441E-01