iterations/neb0_image04_iter241_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 0.366250790427E+03 0.36625E+03 -0.14290E+04 624 0.799E+02
DAV: 2 0.107891739100E+01 -0.36517E+03 -0.35409E+03 858 0.195E+02
DAV: 3 -0.960576935806E+02 -0.97137E+02 -0.96846E+02 672 0.116E+02
DAV: 4 -0.100249413730E+03 -0.41917E+01 -0.41823E+01 704 0.273E+01
DAV: 5 -0.100331826369E+03 -0.82413E-01 -0.82384E-01 736 0.342E+00 0.222E+01
DAV: 6 -0.916586089698E+02 0.86732E+01 -0.31258E+01 690 0.299E+01 0.116E+01
DAV: 7 -0.908167838949E+02 0.84183E+00 -0.18113E+00 712 0.658E+00 0.485E+00
DAV: 8 -0.904097010850E+02 0.40708E+00 -0.54908E-01 696 0.457E+00 0.180E+00
DAV: 9 -0.903196455978E+02 0.90055E-01 -0.14533E-01 728 0.227E+00 0.628E-01
DAV: 10 -0.903009929265E+02 0.18653E-01 -0.43344E-02 720 0.108E+00 0.370E-01
DAV: 11 -0.903030537871E+02 -0.20609E-02 -0.16644E-02 736 0.701E-01 0.309E-01
DAV: 12 -0.903049679682E+02 -0.19142E-02 -0.43006E-03 677 0.618E-01 0.159E-01
DAV: 13 -0.903082995013E+02 -0.33315E-02 -0.34979E-03 628 0.396E-01 0.109E-01
DAV: 14 -0.903117910999E+02 -0.34916E-02 -0.15706E-03 629 0.225E-01 0.549E-02
DAV: 15 -0.903147977159E+02 -0.30066E-02 -0.88908E-04 647 0.152E-01 0.582E-02
DAV: 16 -0.903169231450E+02 -0.21254E-02 -0.52048E-04 744 0.198E-01 0.466E-02
DAV: 17 -0.903182060094E+02 -0.12829E-02 -0.31898E-04 652 0.870E-02 0.384E-02
DAV: 18 -0.903186373682E+02 -0.43136E-03 -0.12158E-04 792 0.842E-02 0.172E-02
DAV: 19 -0.903189203370E+02 -0.28297E-03 -0.95312E-05 657 0.568E-02 0.155E-02
DAV: 20 -0.903190326941E+02 -0.11236E-03 -0.12505E-05 480 0.260E-02 0.120E-02
DAV: 21 -0.903191356948E+02 -0.10300E-03 -0.46606E-05 620 0.382E-02 0.894E-03
DAV: 22 -0.903191535022E+02 -0.17807E-04 -0.41111E-06 504 0.180E-02 0.489E-03
DAV: 23 -0.903191659610E+02 -0.12459E-04 -0.87205E-06 412 0.164E-02 0.265E-03
DAV: 24 -0.903191732688E+02 -0.73078E-05 -0.13283E-06 480 0.710E-03
1 F= -.90319173E+02 E0= -.90327189E+02 d E =0.240480E-01