./iterations/neb0_image07_iter247_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 0.372135440471E+03 0.37214E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.392753396472E+01 -0.36821E+03 -0.35639E+03 866 0.194E+02
DAV: 3 -0.965817600743E+02 -0.10051E+03 -0.10017E+03 685 0.116E+02
DAV: 4 -0.101185407833E+03 -0.46036E+01 -0.45923E+01 680 0.284E+01
DAV: 5 -0.101277259634E+03 -0.91852E-01 -0.91795E-01 736 0.362E+00 0.228E+01
DAV: 6 -0.926140947680E+02 0.86632E+01 -0.30785E+01 717 0.300E+01 0.119E+01
DAV: 7 -0.917512080752E+02 0.86289E+00 -0.17281E+00 736 0.618E+00 0.481E+00
DAV: 8 -0.913756015082E+02 0.37561E+00 -0.54139E-01 736 0.396E+00 0.162E+00
DAV: 9 -0.912939546581E+02 0.81647E-01 -0.13113E-01 720 0.156E+00 0.421E-01
DAV: 10 -0.912848887164E+02 0.90659E-02 -0.40911E-02 757 0.104E+00 0.291E-01
DAV: 11 -0.912892468214E+02 -0.43581E-02 -0.12073E-02 608 0.571E-01 0.144E-01
DAV: 12 -0.912923132917E+02 -0.30665E-02 -0.27578E-03 615 0.274E-01 0.858E-02
DAV: 13 -0.912959660238E+02 -0.36527E-02 -0.13343E-03 642 0.172E-01 0.545E-02
DAV: 14 -0.912994953286E+02 -0.35293E-02 -0.11582E-03 738 0.257E-01 0.555E-02
DAV: 15 -0.913006798218E+02 -0.11845E-02 -0.43030E-04 704 0.125E-01 0.403E-02
DAV: 16 -0.913016260509E+02 -0.94623E-03 -0.20660E-04 736 0.812E-02 0.151E-02
DAV: 17 -0.913025569615E+02 -0.93091E-03 -0.16397E-04 701 0.691E-02 0.169E-02
DAV: 18 -0.913028212013E+02 -0.26424E-03 -0.30746E-05 560 0.366E-02 0.811E-03
DAV: 19 -0.913029260079E+02 -0.10481E-03 -0.28357E-05 608 0.262E-02 0.412E-03
DAV: 20 -0.913029558590E+02 -0.29851E-04 -0.20161E-06 496 0.947E-03 0.223E-03
DAV: 21 -0.913029767520E+02 -0.20893E-04 -0.24606E-06 429 0.730E-03 0.726E-04
DAV: 22 -0.913029852410E+02 -0.84891E-05 -0.10217E-06 456 0.380E-03
1 F= -.91302985E+02 E0= -.91307979E+02 d E =0.149806E-01