iterations/neb0_image06_iter185_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 0.371445078479E+03 0.37145E+03 -0.14351E+04 640 0.799E+02
DAV: 2 0.391223484198E+01 -0.36753E+03 -0.35550E+03 869 0.193E+02
DAV: 3 -0.960452464956E+02 -0.99957E+02 -0.99616E+02 693 0.116E+02
DAV: 4 -0.100524581659E+03 -0.44793E+01 -0.44676E+01 720 0.278E+01
DAV: 5 -0.100612985396E+03 -0.88404E-01 -0.88361E-01 728 0.349E+00 0.226E+01
DAV: 6 -0.920480377585E+02 0.85649E+01 -0.30559E+01 693 0.301E+01 0.118E+01
DAV: 7 -0.912094449293E+02 0.83859E+00 -0.17260E+00 728 0.624E+00 0.481E+00
DAV: 8 -0.908311437560E+02 0.37830E+00 -0.55433E-01 712 0.414E+00 0.165E+00
DAV: 9 -0.907434245584E+02 0.87719E-01 -0.12680E-01 720 0.157E+00 0.422E-01
DAV: 10 -0.907333358462E+02 0.10089E-01 -0.36545E-02 736 0.950E-01 0.284E-01
DAV: 11 -0.907373844455E+02 -0.40486E-02 -0.91676E-03 596 0.487E-01 0.141E-01
DAV: 12 -0.907402639648E+02 -0.28795E-02 -0.21306E-03 615 0.255E-01 0.825E-02
DAV: 13 -0.907441575407E+02 -0.38936E-02 -0.14227E-03 636 0.173E-01 0.626E-02
DAV: 14 -0.907476986303E+02 -0.35411E-02 -0.11673E-03 728 0.237E-01 0.426E-02
DAV: 15 -0.907492840523E+02 -0.15854E-02 -0.25915E-04 728 0.938E-02 0.409E-02
DAV: 16 -0.907506366373E+02 -0.13526E-02 -0.36454E-04 685 0.115E-01 0.176E-02
DAV: 17 -0.907514275304E+02 -0.79089E-03 -0.11943E-04 680 0.577E-02 0.141E-02
DAV: 18 -0.907516522555E+02 -0.22473E-03 -0.21410E-05 536 0.227E-02 0.837E-03
DAV: 19 -0.907518015028E+02 -0.14925E-03 -0.24350E-05 484 0.211E-02 0.281E-03
DAV: 20 -0.907518193703E+02 -0.17867E-04 -0.17772E-06 528 0.853E-03 0.142E-03
DAV: 21 -0.907518518726E+02 -0.32502E-04 -0.52969E-06 395 0.100E-02 0.199E-03
DAV: 22 -0.907518525285E+02 -0.65591E-06 -0.75685E-07 528 0.684E-03
1 F= -.90751853E+02 E0= -.90756156E+02 d E =0.129097E-01