./iterations/neb0_image06_iter152_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 0.371948560591E+03 0.37195E+03 -0.14349E+04 640 0.799E+02
DAV: 2 0.377767363098E+01 -0.36817E+03 -0.35639E+03 874 0.193E+02
DAV: 3 -0.960255182673E+02 -0.99803E+02 -0.99474E+02 693 0.116E+02
DAV: 4 -0.100474601030E+03 -0.44491E+01 -0.44377E+01 704 0.276E+01
DAV: 5 -0.100561318404E+03 -0.86717E-01 -0.86674E-01 736 0.346E+00 0.227E+01
DAV: 6 -0.919528969294E+02 0.86084E+01 -0.30669E+01 712 0.304E+01 0.119E+01
DAV: 7 -0.911222874256E+02 0.83061E+00 -0.17688E+00 720 0.632E+00 0.481E+00
DAV: 8 -0.907456108611E+02 0.37668E+00 -0.54135E-01 712 0.408E+00 0.168E+00
DAV: 9 -0.906551616742E+02 0.90449E-01 -0.13228E-01 728 0.162E+00 0.423E-01
DAV: 10 -0.906455370679E+02 0.96246E-02 -0.35098E-02 752 0.941E-01 0.281E-01
DAV: 11 -0.906495245432E+02 -0.39875E-02 -0.87115E-03 610 0.502E-01 0.139E-01
DAV: 12 -0.906519623057E+02 -0.24378E-02 -0.17666E-03 645 0.243E-01 0.891E-02
DAV: 13 -0.906563267269E+02 -0.43644E-02 -0.18414E-03 603 0.221E-01 0.681E-02
DAV: 14 -0.906584218773E+02 -0.20952E-02 -0.43456E-04 816 0.144E-01 0.292E-02
DAV: 15 -0.906613386027E+02 -0.29167E-02 -0.44924E-04 609 0.107E-01 0.301E-02
DAV: 16 -0.906627601232E+02 -0.14215E-02 -0.11424E-04 688 0.615E-02 0.163E-02
DAV: 17 -0.906635699731E+02 -0.80985E-03 -0.20488E-04 642 0.778E-02 0.192E-02
DAV: 18 -0.906637432378E+02 -0.17326E-03 -0.39315E-05 632 0.542E-02 0.997E-03
DAV: 19 -0.906637878699E+02 -0.44632E-04 -0.23772E-05 549 0.273E-02 0.674E-03
DAV: 20 -0.906638734186E+02 -0.85549E-04 -0.11952E-05 425 0.194E-02 0.354E-03
DAV: 21 -0.906639028386E+02 -0.29420E-04 -0.46628E-06 472 0.117E-02 0.260E-03
DAV: 22 -0.906639152684E+02 -0.12430E-04 -0.26318E-06 409 0.946E-03 0.147E-03
DAV: 23 -0.906639203065E+02 -0.50381E-05 -0.98370E-07 447 0.540E-03
1 F= -.90663920E+02 E0= -.90670120E+02 d E =0.185991E-01