./iterations/neb0_image04_iter260_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 0.367205716895E+03 0.36721E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.955127423195E+00 -0.36625E+03 -0.35500E+03 855 0.195E+02
DAV: 3 -0.960842665380E+02 -0.97039E+02 -0.96750E+02 664 0.116E+02
DAV: 4 -0.100344401417E+03 -0.42601E+01 -0.42508E+01 696 0.277E+01
DAV: 5 -0.100427953859E+03 -0.83552E-01 -0.83523E-01 728 0.346E+00 0.224E+01
DAV: 6 -0.916963240254E+02 0.87316E+01 -0.31240E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908369693723E+02 0.85935E+00 -0.18234E+00 704 0.657E+00 0.485E+00
DAV: 8 -0.904249615530E+02 0.41201E+00 -0.55102E-01 704 0.456E+00 0.178E+00
DAV: 9 -0.903333382792E+02 0.91623E-01 -0.15217E-01 720 0.214E+00 0.579E-01
DAV: 10 -0.903183855867E+02 0.14953E-01 -0.39135E-02 712 0.104E+00 0.354E-01
DAV: 11 -0.903201341360E+02 -0.17485E-02 -0.12578E-02 712 0.580E-01 0.237E-01
DAV: 12 -0.903229503073E+02 -0.28162E-02 -0.30627E-03 685 0.480E-01 0.139E-01
DAV: 13 -0.903262216150E+02 -0.32713E-02 -0.26815E-03 626 0.353E-01 0.110E-01
DAV: 14 -0.903299508162E+02 -0.37292E-02 -0.21120E-03 692 0.291E-01 0.497E-02
DAV: 15 -0.903322024457E+02 -0.22516E-02 -0.55286E-04 664 0.112E-01 0.490E-02
DAV: 16 -0.903343757260E+02 -0.21733E-02 -0.61226E-04 826 0.178E-01 0.308E-02
DAV: 17 -0.903355899034E+02 -0.12142E-02 -0.20946E-04 664 0.704E-02 0.339E-02
DAV: 18 -0.903361397907E+02 -0.54989E-03 -0.90859E-05 788 0.643E-02 0.174E-02
DAV: 19 -0.903365052892E+02 -0.36550E-03 -0.12851E-04 658 0.690E-02 0.143E-02
DAV: 20 -0.903366013567E+02 -0.96067E-04 -0.12397E-05 490 0.252E-02 0.102E-02
DAV: 21 -0.903366600432E+02 -0.58687E-04 -0.23357E-05 506 0.277E-02 0.252E-03
DAV: 22 -0.903367109654E+02 -0.50922E-04 -0.58375E-06 428 0.147E-02 0.161E-03
DAV: 23 -0.903367169862E+02 -0.60208E-05 -0.14595E-06 520 0.507E-03
1 F= -.90336717E+02 E0= -.90345024E+02 d E =0.249206E-01