iterations/neb0_image05_iter14_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 0.356007582311E+03 0.35601E+03 -0.14202E+04 632 0.799E+02
DAV: 2 0.489408342469E+01 -0.35111E+03 -0.33952E+03 863 0.191E+02
DAV: 3 -0.910681727857E+02 -0.95962E+02 -0.95393E+02 693 0.113E+02
DAV: 4 -0.958434840037E+02 -0.47753E+01 -0.47557E+01 704 0.277E+01
DAV: 5 -0.959535681839E+02 -0.11008E+00 -0.11003E+00 728 0.367E+00 0.209E+01
DAV: 6 -0.879360881870E+02 0.80175E+01 -0.30966E+01 728 0.300E+01 0.109E+01
DAV: 7 -0.872416268215E+02 0.69446E+00 -0.16383E+00 720 0.737E+00 0.473E+00
DAV: 8 -0.869046129162E+02 0.33701E+00 -0.66438E-01 728 0.444E+00 0.170E+00
DAV: 9 -0.868310512927E+02 0.73562E-01 -0.14893E-01 720 0.190E+00 0.529E-01
DAV: 10 -0.868234726224E+02 0.75787E-02 -0.23026E-02 824 0.925E-01 0.262E-01
DAV: 11 -0.868239667846E+02 -0.49416E-03 -0.82002E-03 680 0.507E-01 0.168E-01
DAV: 12 -0.868270261458E+02 -0.30594E-02 -0.36498E-03 680 0.353E-01 0.967E-02
DAV: 13 -0.868312506496E+02 -0.42245E-02 -0.15717E-03 639 0.229E-01 0.746E-02
DAV: 14 -0.868340184848E+02 -0.27678E-02 -0.85228E-04 677 0.137E-01 0.356E-02
DAV: 15 -0.868365187362E+02 -0.25003E-02 -0.58324E-04 725 0.139E-01 0.383E-02
DAV: 16 -0.868373341971E+02 -0.81546E-03 -0.17220E-04 776 0.968E-02 0.227E-02
DAV: 17 -0.868380251613E+02 -0.69096E-03 -0.22115E-04 762 0.910E-02 0.227E-02
DAV: 18 -0.868384094650E+02 -0.38430E-03 -0.99723E-05 733 0.583E-02 0.147E-02
DAV: 19 -0.868385405255E+02 -0.13106E-03 -0.22676E-05 549 0.281E-02 0.811E-03
DAV: 20 -0.868386822506E+02 -0.14173E-03 -0.47359E-05 598 0.365E-02 0.790E-03
DAV: 21 -0.868387018299E+02 -0.19579E-04 -0.50089E-06 504 0.190E-02 0.387E-03
DAV: 22 -0.868387156623E+02 -0.13832E-04 -0.74434E-06 420 0.145E-02 0.174E-03
DAV: 23 -0.868387231943E+02 -0.75320E-05 -0.15242E-06 466 0.586E-03
1 F= -.86838723E+02 E0= -.86842610E+02 d E =0.116599E-01