iterations/neb0_image06_iter38_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 0.375889301420E+03 0.37589E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.456206512450E+01 -0.37133E+03 -0.35823E+03 858 0.196E+02
DAV: 3 -0.955419956884E+02 -0.10010E+03 -0.99769E+02 664 0.117E+02
DAV: 4 -0.999195438372E+02 -0.43775E+01 -0.43657E+01 728 0.285E+01
DAV: 5 -0.100005444311E+03 -0.85900E-01 -0.85875E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.912874374628E+02 0.87180E+01 -0.30677E+01 671 0.305E+01 0.118E+01
DAV: 7 -0.904124398279E+02 0.87500E+00 -0.17122E+00 720 0.636E+00 0.480E+00
DAV: 8 -0.900275245980E+02 0.38492E+00 -0.54730E-01 704 0.413E+00 0.166E+00
DAV: 9 -0.899374177082E+02 0.90107E-01 -0.12850E-01 720 0.165E+00 0.447E-01
DAV: 10 -0.899272214367E+02 0.10196E-01 -0.36565E-02 712 0.958E-01 0.305E-01
DAV: 11 -0.899329181291E+02 -0.56967E-02 -0.21530E-02 674 0.104E+00 0.273E-01
DAV: 12 -0.899324385772E+02 0.47955E-03 -0.53358E-03 728 0.459E-01 0.176E-01
DAV: 13 -0.899357452155E+02 -0.33066E-02 -0.64215E-03 662 0.524E-01 0.117E-01
DAV: 14 -0.899388006055E+02 -0.30554E-02 -0.14654E-03 658 0.193E-01 0.100E-01
DAV: 15 -0.899412284727E+02 -0.24279E-02 -0.75570E-04 672 0.179E-01 0.469E-02
DAV: 16 -0.899437948784E+02 -0.25664E-02 -0.76078E-04 714 0.162E-01 0.329E-02
DAV: 17 -0.899446532248E+02 -0.85835E-03 -0.63373E-05 704 0.480E-02 0.287E-02
DAV: 18 -0.899453321556E+02 -0.67893E-03 -0.11932E-04 654 0.547E-02 0.118E-02
DAV: 19 -0.899455163025E+02 -0.18415E-03 -0.13059E-05 504 0.270E-02 0.743E-03
DAV: 20 -0.899456669611E+02 -0.15066E-03 -0.34131E-05 555 0.302E-02 0.745E-03
DAV: 21 -0.899456822495E+02 -0.15288E-04 -0.29509E-06 528 0.154E-02 0.433E-03
DAV: 22 -0.899457125815E+02 -0.30332E-04 -0.73898E-06 416 0.155E-02 0.248E-03
DAV: 23 -0.899457340268E+02 -0.21445E-04 -0.31432E-06 430 0.789E-03 0.283E-03
DAV: 24 -0.899457359985E+02 -0.19717E-05 -0.79742E-07 520 0.533E-03
1 F= -.89945736E+02 E0= -.89954043E+02 d E =0.249213E-01