iterations/neb0_image06_iter195_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 0.371370828322E+03 0.37137E+03 -0.14350E+04 640 0.799E+02
DAV: 2 0.455187424695E+01 -0.36682E+03 -0.35480E+03 858 0.193E+02
DAV: 3 -0.957937097068E+02 -0.10035E+03 -0.10001E+03 677 0.116E+02
DAV: 4 -0.100487896139E+03 -0.46942E+01 -0.46800E+01 728 0.284E+01
DAV: 5 -0.100582952817E+03 -0.95057E-01 -0.95004E-01 736 0.360E+00 0.226E+01
DAV: 6 -0.919906568191E+02 0.85923E+01 -0.30612E+01 709 0.302E+01 0.118E+01
DAV: 7 -0.911581407367E+02 0.83252E+00 -0.17706E+00 712 0.627E+00 0.480E+00
DAV: 8 -0.907807929536E+02 0.37735E+00 -0.54521E-01 704 0.411E+00 0.166E+00
DAV: 9 -0.906902795133E+02 0.90513E-01 -0.12924E-01 712 0.158E+00 0.422E-01
DAV: 10 -0.906800945749E+02 0.10185E-01 -0.37909E-02 760 0.966E-01 0.287E-01
DAV: 11 -0.906843846497E+02 -0.42901E-02 -0.10124E-02 602 0.525E-01 0.151E-01
DAV: 12 -0.906868325496E+02 -0.24479E-02 -0.21018E-03 640 0.252E-01 0.868E-02
DAV: 13 -0.906911641518E+02 -0.43316E-02 -0.19138E-03 636 0.213E-01 0.619E-02
DAV: 14 -0.906936839090E+02 -0.25198E-02 -0.59343E-04 888 0.188E-01 0.312E-02
DAV: 15 -0.906962626284E+02 -0.25787E-02 -0.42489E-04 615 0.992E-02 0.350E-02
DAV: 16 -0.906974334022E+02 -0.11708E-02 -0.13784E-04 685 0.722E-02 0.162E-02
DAV: 17 -0.906983626374E+02 -0.92924E-03 -0.20203E-04 629 0.725E-02 0.182E-02
DAV: 18 -0.906985650982E+02 -0.20246E-03 -0.31775E-05 632 0.370E-02 0.963E-03
DAV: 19 -0.906986636847E+02 -0.98587E-04 -0.32070E-05 599 0.318E-02 0.617E-03
DAV: 20 -0.906986981204E+02 -0.34436E-04 -0.56126E-06 472 0.188E-02 0.246E-03
DAV: 21 -0.906987314111E+02 -0.33291E-04 -0.81524E-06 412 0.150E-02 0.297E-03
DAV: 22 -0.906987382214E+02 -0.68103E-05 -0.11408E-06 477 0.711E-03
1 F= -.90698738E+02 E0= -.90703677E+02 d E =0.148153E-01