iterations/neb0_image06_iter80_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 0.376387381822E+03 0.37639E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.372045073481E+01 -0.37267E+03 -0.36033E+03 877 0.195E+02
DAV: 3 -0.956868095269E+02 -0.99407E+02 -0.99094E+02 656 0.117E+02
DAV: 4 -0.100204574177E+03 -0.45178E+01 -0.45068E+01 704 0.289E+01
DAV: 5 -0.100296294844E+03 -0.91721E-01 -0.91688E-01 720 0.367E+00 0.227E+01
DAV: 6 -0.916216526997E+02 0.86746E+01 -0.30909E+01 685 0.307E+01 0.118E+01
DAV: 7 -0.907723739726E+02 0.84928E+00 -0.17080E+00 720 0.627E+00 0.482E+00
DAV: 8 -0.903867381066E+02 0.38564E+00 -0.52742E-01 712 0.402E+00 0.166E+00
DAV: 9 -0.902952521507E+02 0.91486E-01 -0.13200E-01 720 0.162E+00 0.426E-01
DAV: 10 -0.902854836133E+02 0.97685E-02 -0.39588E-02 736 0.101E+00 0.300E-01
DAV: 11 -0.902898990801E+02 -0.44155E-02 -0.11917E-02 610 0.700E-01 0.168E-01
DAV: 12 -0.902912625562E+02 -0.13635E-02 -0.26836E-03 664 0.312E-01 0.113E-01
DAV: 13 -0.902959337571E+02 -0.46712E-02 -0.31672E-03 624 0.337E-01 0.100E-01
DAV: 14 -0.902976021868E+02 -0.16684E-02 -0.55817E-04 720 0.158E-01 0.567E-02
DAV: 15 -0.903008112976E+02 -0.32091E-02 -0.10428E-03 634 0.194E-01 0.364E-02
DAV: 16 -0.903025594462E+02 -0.17481E-02 -0.18742E-04 744 0.895E-02 0.295E-02
DAV: 17 -0.903031365673E+02 -0.57712E-03 -0.11694E-04 696 0.677E-02 0.161E-02
DAV: 18 -0.903039766075E+02 -0.84004E-03 -0.16022E-04 676 0.757E-02 0.147E-02
DAV: 19 -0.903040639630E+02 -0.87356E-04 -0.12734E-05 512 0.300E-02 0.114E-02
DAV: 20 -0.903041654857E+02 -0.10152E-03 -0.48883E-05 615 0.431E-02 0.729E-03
DAV: 21 -0.903042022173E+02 -0.36732E-04 -0.54275E-06 496 0.189E-02 0.527E-03
DAV: 22 -0.903042344578E+02 -0.32240E-04 -0.45433E-06 406 0.101E-02 0.279E-03
DAV: 23 -0.903042484932E+02 -0.14035E-04 -0.35748E-06 458 0.108E-02 0.138E-03
DAV: 24 -0.903042510316E+02 -0.25384E-05 -0.11995E-06 492 0.533E-03
1 F= -.90304251E+02 E0= -.90313076E+02 d E =0.264754E-01