./iterations/neb0_image01_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 0.365429403888E+03 0.36543E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.315196784502E+01 -0.36228E+03 -0.34931E+03 842 0.196E+02
DAV: 3 -0.955844496745E+02 -0.98736E+02 -0.98387E+02 669 0.116E+02
DAV: 4 -0.100211813542E+03 -0.46274E+01 -0.46164E+01 688 0.287E+01
DAV: 5 -0.100304932135E+03 -0.93119E-01 -0.93069E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916801657037E+02 0.86248E+01 -0.31023E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908824589398E+02 0.79771E+00 -0.18327E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905081448455E+02 0.37431E+00 -0.55008E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904258154900E+02 0.82329E-01 -0.13205E-01 720 0.168E+00 0.423E-01
DAV: 10 -0.904212579909E+02 0.45575E-02 -0.47093E-02 720 0.124E+00 0.323E-01
DAV: 11 -0.904254880576E+02 -0.42301E-02 -0.83857E-03 608 0.603E-01 0.116E-01
DAV: 12 -0.904286845899E+02 -0.31965E-02 -0.61984E-03 629 0.424E-01 0.130E-01
DAV: 13 -0.904311914242E+02 -0.25068E-02 -0.16039E-03 853 0.308E-01 0.762E-02
DAV: 14 -0.904344712341E+02 -0.32798E-02 -0.15495E-03 639 0.202E-01 0.729E-02
DAV: 15 -0.904359163647E+02 -0.14451E-02 -0.27387E-04 728 0.116E-01 0.557E-02
DAV: 16 -0.904373011352E+02 -0.13848E-02 -0.11908E-03 661 0.213E-01 0.413E-02
DAV: 17 -0.904381007155E+02 -0.79958E-03 -0.15329E-04 672 0.852E-02 0.352E-02
DAV: 18 -0.904384008264E+02 -0.30011E-03 -0.63003E-05 688 0.392E-02 0.231E-02
DAV: 19 -0.904386189906E+02 -0.21816E-03 -0.13387E-04 628 0.695E-02 0.101E-02
DAV: 20 -0.904386455150E+02 -0.26524E-04 -0.17450E-05 592 0.257E-02 0.109E-02
DAV: 21 -0.904386800566E+02 -0.34542E-04 -0.69291E-06 418 0.158E-02 0.835E-03
DAV: 22 -0.904387012870E+02 -0.21230E-04 -0.68702E-06 468 0.210E-02 0.382E-03
DAV: 23 -0.904387059542E+02 -0.46672E-05 -0.86850E-06 488 0.163E-02
1 F= -.90438706E+02 E0= -.90444645E+02 d E =0.178158E-01