./iterations/neb0_image09_iter121_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 0.374587792101E+03 0.37459E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.248225688166E+01 -0.37211E+03 -0.35978E+03 877 0.196E+02
DAV: 3 -0.968182374620E+02 -0.99300E+02 -0.98965E+02 664 0.117E+02
DAV: 4 -0.101254165403E+03 -0.44359E+01 -0.44267E+01 704 0.285E+01
DAV: 5 -0.101340718313E+03 -0.86553E-01 -0.86515E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926750852120E+02 0.86656E+01 -0.30910E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918050066331E+02 0.87008E+00 -0.17131E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914278161353E+02 0.37719E+00 -0.54272E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913453167248E+02 0.82499E-01 -0.13144E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.913365424492E+02 0.87743E-02 -0.46234E-02 792 0.113E+00 0.304E-01
DAV: 11 -0.913410414431E+02 -0.44990E-02 -0.13356E-02 616 0.605E-01 0.145E-01
DAV: 12 -0.913439039043E+02 -0.28625E-02 -0.29386E-03 631 0.241E-01 0.115E-01
DAV: 13 -0.913478082613E+02 -0.39044E-02 -0.18356E-03 704 0.229E-01 0.446E-02
DAV: 14 -0.913512487969E+02 -0.34405E-02 -0.57345E-04 669 0.133E-01 0.307E-02
DAV: 15 -0.913526531844E+02 -0.14044E-02 -0.13660E-04 688 0.692E-02 0.326E-02
DAV: 16 -0.913539248212E+02 -0.12716E-02 -0.33363E-04 647 0.952E-02 0.204E-02
DAV: 17 -0.913541754065E+02 -0.25059E-03 -0.42177E-05 656 0.480E-02 0.133E-02
DAV: 18 -0.913543886613E+02 -0.21325E-03 -0.50866E-05 640 0.376E-02 0.113E-02
DAV: 19 -0.913545061940E+02 -0.11753E-03 -0.10973E-05 469 0.220E-02 0.570E-03
DAV: 20 -0.913545437472E+02 -0.37553E-04 -0.15589E-05 456 0.224E-02 0.316E-03
DAV: 21 -0.913545643279E+02 -0.20581E-04 -0.29254E-06 434 0.988E-03 0.210E-03
DAV: 22 -0.913545714642E+02 -0.71364E-05 -0.19153E-06 442 0.780E-03
1 F= -.91354571E+02 E0= -.91359400E+02 d E =0.144851E-01