iterations/neb0_image03_iter270_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 0.363821574624E+03 0.36382E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.176795290795E+01 -0.36205E+03 -0.34968E+03 845 0.195E+02
DAV: 3 -0.960625120618E+02 -0.97830E+02 -0.97520E+02 677 0.116E+02
DAV: 4 -0.100347232851E+03 -0.42847E+01 -0.42744E+01 704 0.275E+01
DAV: 5 -0.100430131536E+03 -0.82899E-01 -0.82874E-01 744 0.344E+00 0.223E+01
DAV: 6 -0.917183397460E+02 0.87118E+01 -0.31451E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908765375405E+02 0.84180E+00 -0.18038E+00 720 0.632E+00 0.485E+00
DAV: 8 -0.904857410201E+02 0.39080E+00 -0.55353E-01 696 0.427E+00 0.170E+00
DAV: 9 -0.903948029692E+02 0.90938E-01 -0.13615E-01 704 0.168E+00 0.438E-01
DAV: 10 -0.903888160191E+02 0.59870E-02 -0.48427E-02 712 0.124E+00 0.337E-01
DAV: 11 -0.903927055893E+02 -0.38896E-02 -0.73574E-03 624 0.610E-01 0.124E-01
DAV: 12 -0.903962916544E+02 -0.35861E-02 -0.63655E-03 621 0.381E-01 0.126E-01
DAV: 13 -0.904001850564E+02 -0.38934E-02 -0.16006E-03 826 0.301E-01 0.857E-02
DAV: 14 -0.904033592389E+02 -0.31742E-02 -0.12256E-03 653 0.158E-01 0.590E-02
DAV: 15 -0.904055520505E+02 -0.21928E-02 -0.36391E-04 672 0.103E-01 0.321E-02
DAV: 16 -0.904069727275E+02 -0.14207E-02 -0.42795E-04 661 0.111E-01 0.281E-02
DAV: 17 -0.904076710364E+02 -0.69831E-03 -0.13881E-04 717 0.752E-02 0.115E-02
DAV: 18 -0.904079452396E+02 -0.27420E-03 -0.64769E-05 672 0.407E-02 0.121E-02
DAV: 19 -0.904080411827E+02 -0.95943E-04 -0.99764E-06 480 0.229E-02 0.613E-03
DAV: 20 -0.904081106572E+02 -0.69475E-04 -0.29762E-05 581 0.298E-02 0.692E-03
DAV: 21 -0.904081452812E+02 -0.34624E-04 -0.62510E-06 453 0.200E-02 0.227E-03
DAV: 22 -0.904081534142E+02 -0.81330E-05 -0.56335E-06 504 0.120E-02
1 F= -.90408153E+02 E0= -.90416004E+02 d E =0.235528E-01