iterations/neb0_image05_iter225_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 0.368053052026E+03 0.36805E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.325262692303E+01 -0.36480E+03 -0.35147E+03 856 0.195E+02
DAV: 3 -0.955615473237E+02 -0.98814E+02 -0.98475E+02 669 0.116E+02
DAV: 4 -0.100065423772E+03 -0.45039E+01 -0.44943E+01 704 0.283E+01
DAV: 5 -0.100155064633E+03 -0.89641E-01 -0.89602E-01 728 0.355E+00 0.222E+01
DAV: 6 -0.915945580906E+02 0.85605E+01 -0.30905E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.907627609525E+02 0.83180E+00 -0.17171E+00 720 0.625E+00 0.483E+00
DAV: 8 -0.903847118782E+02 0.37805E+00 -0.55733E-01 728 0.428E+00 0.163E+00
DAV: 9 -0.903025707484E+02 0.82141E-01 -0.13042E-01 720 0.165E+00 0.433E-01
DAV: 10 -0.902960068520E+02 0.65639E-02 -0.44140E-02 736 0.123E+00 0.313E-01
DAV: 11 -0.902992439015E+02 -0.32370E-02 -0.67420E-03 616 0.527E-01 0.137E-01
DAV: 12 -0.903019864128E+02 -0.27425E-02 -0.66471E-03 608 0.478E-01 0.123E-01
DAV: 13 -0.903047485065E+02 -0.27621E-02 -0.14786E-03 864 0.295E-01 0.787E-02
DAV: 14 -0.903080100707E+02 -0.32616E-02 -0.14292E-03 639 0.164E-01 0.558E-02
DAV: 15 -0.903103933487E+02 -0.23833E-02 -0.40374E-04 696 0.117E-01 0.397E-02
DAV: 16 -0.903122674562E+02 -0.18741E-02 -0.72110E-04 669 0.151E-01 0.349E-02
DAV: 17 -0.903129498583E+02 -0.68240E-03 -0.13509E-04 808 0.851E-02 0.200E-02
DAV: 18 -0.903131020983E+02 -0.15224E-03 -0.61247E-05 693 0.409E-02 0.837E-03
DAV: 19 -0.903133985854E+02 -0.29649E-03 -0.52304E-05 553 0.351E-02 0.799E-03
DAV: 20 -0.903134294197E+02 -0.30834E-04 -0.38286E-06 504 0.135E-02 0.604E-03
DAV: 21 -0.903134716952E+02 -0.42276E-04 -0.15995E-05 471 0.237E-02 0.388E-03
DAV: 22 -0.903134799641E+02 -0.82689E-05 -0.28966E-06 496 0.102E-02
1 F= -.90313480E+02 E0= -.90318230E+02 d E =0.142493E-01