iterations/neb0_image04_iter252_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 0.366376077011E+03 0.36638E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.940835110429E+00 -0.36544E+03 -0.35420E+03 855 0.195E+02
DAV: 3 -0.959050094707E+02 -0.96846E+02 -0.96553E+02 656 0.116E+02
DAV: 4 -0.100276076835E+03 -0.43711E+01 -0.43620E+01 696 0.281E+01
DAV: 5 -0.100363778573E+03 -0.87702E-01 -0.87673E-01 728 0.354E+00 0.223E+01
DAV: 6 -0.916702829330E+02 0.86935E+01 -0.31209E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908266269670E+02 0.84366E+00 -0.18258E+00 704 0.660E+00 0.485E+00
DAV: 8 -0.904171686589E+02 0.40946E+00 -0.54846E-01 704 0.456E+00 0.179E+00
DAV: 9 -0.903262028178E+02 0.90966E-01 -0.14840E-01 720 0.217E+00 0.598E-01
DAV: 10 -0.903098231112E+02 0.16380E-01 -0.40229E-02 712 0.105E+00 0.358E-01
DAV: 11 -0.903115882805E+02 -0.17652E-02 -0.14043E-02 712 0.611E-01 0.255E-01
DAV: 12 -0.903142776310E+02 -0.26894E-02 -0.34652E-03 688 0.522E-01 0.149E-01
DAV: 13 -0.903174283148E+02 -0.31507E-02 -0.28030E-03 637 0.367E-01 0.111E-01
DAV: 14 -0.903212693455E+02 -0.38410E-02 -0.21575E-03 681 0.282E-01 0.510E-02
DAV: 15 -0.903235679395E+02 -0.22986E-02 -0.54959E-04 664 0.113E-01 0.503E-02
DAV: 16 -0.903258048718E+02 -0.22369E-02 -0.62974E-04 848 0.185E-01 0.352E-02
DAV: 17 -0.903269314997E+02 -0.11266E-02 -0.20833E-04 669 0.716E-02 0.341E-02
DAV: 18 -0.903275035986E+02 -0.57210E-03 -0.11257E-04 786 0.719E-02 0.169E-02
DAV: 19 -0.903278352018E+02 -0.33160E-03 -0.97424E-05 660 0.589E-02 0.121E-02
DAV: 20 -0.903279635205E+02 -0.12832E-03 -0.11763E-05 472 0.200E-02 0.923E-03
DAV: 21 -0.903280321990E+02 -0.68679E-04 -0.16570E-05 471 0.238E-02 0.213E-03
DAV: 22 -0.903280852971E+02 -0.53098E-04 -0.76203E-06 428 0.111E-02 0.189E-03
DAV: 23 -0.903280887705E+02 -0.34734E-05 -0.10337E-06 536 0.428E-03
1 F= -.90328089E+02 E0= -.90336235E+02 d E =0.244377E-01