./iterations/neb0_image09_iter145_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 0.374381871004E+03 0.37438E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.238568222844E+01 -0.37200E+03 -0.35979E+03 877 0.196E+02
DAV: 3 -0.966937302528E+02 -0.99079E+02 -0.98743E+02 653 0.117E+02
DAV: 4 -0.101220940606E+03 -0.45272E+01 -0.45173E+01 712 0.289E+01
DAV: 5 -0.101310513364E+03 -0.89573E-01 -0.89533E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926642343178E+02 0.86463E+01 -0.30881E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.918020722374E+02 0.86216E+00 -0.17100E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914265778321E+02 0.37549E+00 -0.54612E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913451393426E+02 0.81438E-01 -0.13070E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913366519549E+02 0.84874E-02 -0.43797E-02 776 0.109E+00 0.298E-01
DAV: 11 -0.913409320888E+02 -0.42801E-02 -0.11446E-02 616 0.558E-01 0.132E-01
DAV: 12 -0.913440629610E+02 -0.31309E-02 -0.28585E-03 618 0.248E-01 0.103E-01
DAV: 13 -0.913477224742E+02 -0.36595E-02 -0.10184E-03 664 0.173E-01 0.488E-02
DAV: 14 -0.913511989877E+02 -0.34765E-02 -0.87476E-04 656 0.161E-01 0.396E-02
DAV: 15 -0.913523914381E+02 -0.11925E-02 -0.14797E-04 752 0.870E-02 0.363E-02
DAV: 16 -0.913537070884E+02 -0.13157E-02 -0.27910E-04 641 0.832E-02 0.145E-02
DAV: 17 -0.913541985774E+02 -0.49149E-03 -0.59124E-05 688 0.435E-02 0.152E-02
DAV: 18 -0.913545088406E+02 -0.31026E-03 -0.67899E-05 629 0.441E-02 0.914E-03
DAV: 19 -0.913545646026E+02 -0.55762E-04 -0.74383E-06 496 0.211E-02 0.491E-03
DAV: 20 -0.913546002603E+02 -0.35658E-04 -0.12396E-05 412 0.198E-02 0.278E-03
DAV: 21 -0.913546178396E+02 -0.17579E-04 -0.31129E-06 464 0.826E-03 0.309E-03
DAV: 22 -0.913546227916E+02 -0.49520E-05 -0.94916E-07 452 0.638E-03
1 F= -.91354623E+02 E0= -.91359423E+02 d E =0.144004E-01