iterations/neb0_image04_iter119_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 0.369879515203E+03 0.36988E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.385257040843E+01 -0.36603E+03 -0.35425E+03 858 0.195E+02
DAV: 3 -0.954214493552E+02 -0.99274E+02 -0.98959E+02 677 0.116E+02
DAV: 4 -0.998751804364E+02 -0.44537E+01 -0.44430E+01 704 0.281E+01
DAV: 5 -0.999624672676E+02 -0.87287E-01 -0.87245E-01 728 0.354E+00 0.222E+01
DAV: 6 -0.914434311333E+02 0.85190E+01 -0.29996E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905870160691E+02 0.85642E+00 -0.17449E+00 704 0.626E+00 0.479E+00
DAV: 8 -0.901888035308E+02 0.39821E+00 -0.55598E-01 712 0.420E+00 0.163E+00
DAV: 9 -0.900950017021E+02 0.93802E-01 -0.13073E-01 720 0.178E+00 0.443E-01
DAV: 10 -0.900851710039E+02 0.98307E-02 -0.61412E-02 712 0.150E+00 0.360E-01
DAV: 11 -0.900891507758E+02 -0.39798E-02 -0.16918E-02 632 0.778E-01 0.151E-01
DAV: 12 -0.900906433031E+02 -0.14925E-02 -0.55795E-03 623 0.353E-01 0.148E-01
DAV: 13 -0.900935052806E+02 -0.28620E-02 -0.27496E-03 837 0.413E-01 0.786E-02
DAV: 14 -0.900977547830E+02 -0.42495E-02 -0.15295E-03 647 0.212E-01 0.673E-02
DAV: 15 -0.900999029455E+02 -0.21482E-02 -0.30799E-04 760 0.106E-01 0.458E-02
DAV: 16 -0.901017057509E+02 -0.18028E-02 -0.71070E-04 666 0.153E-01 0.320E-02
DAV: 17 -0.901025693769E+02 -0.86363E-03 -0.15303E-04 752 0.857E-02 0.164E-02
DAV: 18 -0.901030374985E+02 -0.46812E-03 -0.87103E-05 647 0.414E-02 0.101E-02
DAV: 19 -0.901031736908E+02 -0.13619E-03 -0.17552E-05 488 0.252E-02 0.279E-03
DAV: 20 -0.901032540806E+02 -0.80390E-04 -0.10942E-05 425 0.148E-02 0.304E-03
DAV: 21 -0.901032857881E+02 -0.31708E-04 -0.35309E-06 469 0.769E-03 0.218E-03
DAV: 22 -0.901032969870E+02 -0.11199E-04 -0.32517E-06 431 0.107E-02 0.217E-03
DAV: 23 -0.901032990853E+02 -0.20983E-05 -0.10233E-06 504 0.738E-03
1 F= -.90103299E+02 E0= -.90107548E+02 d E =0.127464E-01