iterations/neb0_image06_iter149_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 0.371658511855E+03 0.37166E+03 -0.14349E+04 640 0.799E+02
DAV: 2 0.377192645761E+01 -0.36789E+03 -0.35623E+03 874 0.193E+02
DAV: 3 -0.960362831350E+02 -0.99808E+02 -0.99468E+02 701 0.116E+02
DAV: 4 -0.100442157257E+03 -0.44059E+01 -0.43938E+01 704 0.272E+01
DAV: 5 -0.100528233196E+03 -0.86076E-01 -0.86033E-01 736 0.340E+00 0.227E+01
DAV: 6 -0.919375432801E+02 0.85907E+01 -0.30646E+01 712 0.303E+01 0.119E+01
DAV: 7 -0.911073823740E+02 0.83016E+00 -0.17463E+00 704 0.632E+00 0.481E+00
DAV: 8 -0.907310760435E+02 0.37631E+00 -0.54752E-01 720 0.411E+00 0.168E+00
DAV: 9 -0.906418876100E+02 0.89188E-01 -0.13123E-01 720 0.162E+00 0.423E-01
DAV: 10 -0.906323346317E+02 0.95530E-02 -0.35088E-02 720 0.940E-01 0.282E-01
DAV: 11 -0.906364151446E+02 -0.40805E-02 -0.88938E-03 602 0.489E-01 0.143E-01
DAV: 12 -0.906389308373E+02 -0.25157E-02 -0.17575E-03 664 0.240E-01 0.865E-02
DAV: 13 -0.906430983451E+02 -0.41675E-02 -0.16140E-03 617 0.195E-01 0.620E-02
DAV: 14 -0.906458116879E+02 -0.27133E-02 -0.65579E-04 800 0.185E-01 0.281E-02
DAV: 15 -0.906480598785E+02 -0.22482E-02 -0.27801E-04 617 0.831E-02 0.322E-02
DAV: 16 -0.906494743370E+02 -0.14145E-02 -0.21332E-04 712 0.842E-02 0.165E-02
DAV: 17 -0.906502283466E+02 -0.75401E-03 -0.12129E-04 645 0.570E-02 0.139E-02
DAV: 18 -0.906504466711E+02 -0.21832E-03 -0.24774E-05 544 0.286E-02 0.636E-03
DAV: 19 -0.906505788480E+02 -0.13218E-03 -0.21337E-05 444 0.207E-02 0.358E-03
DAV: 20 -0.906506036244E+02 -0.24776E-04 -0.30037E-06 512 0.127E-02 0.104E-03
DAV: 21 -0.906506271671E+02 -0.23543E-04 -0.56912E-06 397 0.112E-02 0.283E-03
DAV: 22 -0.906506285987E+02 -0.14316E-05 -0.79720E-07 520 0.795E-03
1 F= -.90650629E+02 E0= -.90655177E+02 d E =0.136449E-01