iterations/neb0_image07_iter189_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 0.371674085970E+03 0.37167E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.338246532519E+01 -0.36829E+03 -0.35571E+03 869 0.194E+02
DAV: 3 -0.964818732546E+02 -0.99864E+02 -0.99543E+02 680 0.116E+02
DAV: 4 -0.101091072739E+03 -0.46092E+01 -0.45973E+01 696 0.283E+01
DAV: 5 -0.101185253446E+03 -0.94181E-01 -0.94122E-01 728 0.362E+00 0.227E+01
DAV: 6 -0.925745406066E+02 0.86107E+01 -0.30554E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917184523281E+02 0.85609E+00 -0.17372E+00 712 0.617E+00 0.479E+00
DAV: 8 -0.913472990374E+02 0.37115E+00 -0.52814E-01 728 0.395E+00 0.164E+00
DAV: 9 -0.912657561040E+02 0.81543E-01 -0.13140E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912573621771E+02 0.83939E-02 -0.42106E-02 741 0.109E+00 0.293E-01
DAV: 11 -0.912616455693E+02 -0.42834E-02 -0.11779E-02 616 0.570E-01 0.139E-01
DAV: 12 -0.912644834678E+02 -0.28379E-02 -0.24440E-03 626 0.252E-01 0.937E-02
DAV: 13 -0.912684263151E+02 -0.39428E-02 -0.16349E-03 634 0.204E-01 0.506E-02
DAV: 14 -0.912712726205E+02 -0.28463E-02 -0.64616E-04 776 0.196E-01 0.385E-02
DAV: 15 -0.912730866143E+02 -0.18140E-02 -0.38730E-04 658 0.103E-01 0.325E-02
DAV: 16 -0.912739636868E+02 -0.87707E-03 -0.13375E-04 752 0.696E-02 0.131E-02
DAV: 17 -0.912748245703E+02 -0.86088E-03 -0.12135E-04 722 0.553E-02 0.141E-02
DAV: 18 -0.912750404722E+02 -0.21590E-03 -0.19141E-05 520 0.321E-02 0.754E-03
DAV: 19 -0.912751688309E+02 -0.12836E-03 -0.40972E-05 615 0.342E-02 0.902E-03
DAV: 20 -0.912751924288E+02 -0.23598E-04 -0.56871E-06 496 0.226E-02 0.382E-03
DAV: 21 -0.912752088852E+02 -0.16456E-04 -0.52344E-06 425 0.118E-02 0.130E-03
DAV: 22 -0.912752258075E+02 -0.16922E-04 -0.25687E-06 409 0.772E-03 0.111E-03
DAV: 23 -0.912752274135E+02 -0.16060E-05 -0.64001E-07 504 0.361E-03
1 F= -.91275227E+02 E0= -.91280512E+02 d E =0.158541E-01