iterations/neb0_image08_iter106_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 0.376037481485E+03 0.37604E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.347729175675E+01 -0.37256E+03 -0.35955E+03 869 0.196E+02
DAV: 3 -0.968225060223E+02 -0.10030E+03 -0.99961E+02 688 0.117E+02
DAV: 4 -0.101188644168E+03 -0.43661E+01 -0.43559E+01 696 0.275E+01
DAV: 5 -0.101275008037E+03 -0.86364E-01 -0.86328E-01 736 0.346E+00 0.228E+01
DAV: 6 -0.926183946693E+02 0.86566E+01 -0.30795E+01 711 0.302E+01 0.119E+01
DAV: 7 -0.917438084173E+02 0.87459E+00 -0.17091E+00 720 0.615E+00 0.481E+00
DAV: 8 -0.913642393143E+02 0.37957E+00 -0.55582E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912815403233E+02 0.82699E-01 -0.13146E-01 712 0.157E+00 0.425E-01
DAV: 10 -0.912724900715E+02 0.90503E-02 -0.46456E-02 744 0.113E+00 0.306E-01
DAV: 11 -0.912770674716E+02 -0.45774E-02 -0.13544E-02 624 0.604E-01 0.150E-01
DAV: 12 -0.912799659831E+02 -0.28985E-02 -0.29163E-03 609 0.252E-01 0.115E-01
DAV: 13 -0.912835942138E+02 -0.36282E-02 -0.15027E-03 658 0.214E-01 0.480E-02
DAV: 14 -0.912869195575E+02 -0.33253E-02 -0.73217E-04 664 0.161E-01 0.349E-02
DAV: 15 -0.912885280374E+02 -0.16085E-02 -0.19431E-04 664 0.838E-02 0.404E-02
DAV: 16 -0.912897821063E+02 -0.12541E-02 -0.34764E-04 674 0.100E-01 0.171E-02
DAV: 17 -0.912902379083E+02 -0.45580E-03 -0.71636E-05 648 0.582E-02 0.154E-02
DAV: 18 -0.912904531301E+02 -0.21522E-03 -0.33839E-05 584 0.292E-02 0.117E-02
DAV: 19 -0.912905892793E+02 -0.13615E-03 -0.18035E-05 453 0.205E-02 0.504E-03
DAV: 20 -0.912906262327E+02 -0.36953E-04 -0.80650E-06 488 0.176E-02 0.189E-03
DAV: 21 -0.912906474475E+02 -0.21215E-04 -0.51181E-06 407 0.116E-02 0.293E-03
DAV: 22 -0.912906535359E+02 -0.60884E-05 -0.10900E-06 480 0.514E-03
1 F= -.91290654E+02 E0= -.91295495E+02 d E =0.145239E-01