./iterations/neb0_image05_iter284_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 0.368028245799E+03 0.36803E+03 -0.14313E+04 624 0.799E+02
DAV: 2 0.480865069620E+01 -0.36322E+03 -0.34967E+03 837 0.196E+02
DAV: 3 -0.951660070417E+02 -0.99975E+02 -0.99628E+02 640 0.117E+02
DAV: 4 -0.100146661807E+03 -0.49807E+01 -0.49674E+01 712 0.304E+01
DAV: 5 -0.100247469504E+03 -0.10081E+00 -0.10076E+00 736 0.388E+00 0.223E+01
DAV: 6 -0.915798508336E+02 0.86676E+01 -0.30976E+01 688 0.300E+01 0.118E+01
DAV: 7 -0.907580630265E+02 0.82179E+00 -0.18056E+00 712 0.661E+00 0.485E+00
DAV: 8 -0.903709524843E+02 0.38711E+00 -0.52313E-01 720 0.446E+00 0.179E+00
DAV: 9 -0.902851720637E+02 0.85780E-01 -0.15032E-01 720 0.196E+00 0.540E-01
DAV: 10 -0.902735124371E+02 0.11660E-01 -0.27450E-02 728 0.907E-01 0.331E-01
DAV: 11 -0.902746233651E+02 -0.11109E-02 -0.13525E-02 736 0.617E-01 0.207E-01
DAV: 12 -0.902775637028E+02 -0.29403E-02 -0.49123E-03 736 0.426E-01 0.111E-01
DAV: 13 -0.902801872184E+02 -0.26235E-02 -0.12877E-03 648 0.192E-01 0.993E-02
DAV: 14 -0.902843633915E+02 -0.41762E-02 -0.20956E-03 713 0.273E-01 0.561E-02
DAV: 15 -0.902867604787E+02 -0.23971E-02 -0.41864E-04 704 0.120E-01 0.402E-02
DAV: 16 -0.902893080709E+02 -0.25476E-02 -0.63063E-04 658 0.149E-01 0.280E-02
DAV: 17 -0.902902806624E+02 -0.97259E-03 -0.11941E-04 712 0.598E-02 0.217E-02
DAV: 18 -0.902910375203E+02 -0.75686E-03 -0.18446E-04 692 0.792E-02 0.114E-02
DAV: 19 -0.902912340235E+02 -0.19650E-03 -0.43844E-05 688 0.365E-02 0.107E-02
DAV: 20 -0.902913013020E+02 -0.67278E-04 -0.74018E-06 496 0.154E-02 0.654E-03
DAV: 21 -0.902913563421E+02 -0.55040E-04 -0.27521E-05 531 0.306E-02 0.607E-03
DAV: 22 -0.902913664203E+02 -0.10078E-04 -0.31485E-06 496 0.121E-02 0.485E-03
DAV: 23 -0.902913695997E+02 -0.31794E-05 -0.43082E-06 420 0.117E-02
1 F= -.90291370E+02 E0= -.90299548E+02 d E =0.245348E-01