iterations/neb0_image09_iter258_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 0.374137231923E+03 0.37414E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.330427945433E+01 -0.37083E+03 -0.35818E+03 869 0.196E+02
DAV: 3 -0.967639638012E+02 -0.10007E+03 -0.99740E+02 661 0.117E+02
DAV: 4 -0.101282411327E+03 -0.45184E+01 -0.45079E+01 720 0.287E+01
DAV: 5 -0.101370888676E+03 -0.88477E-01 -0.88440E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926816089446E+02 0.86893E+01 -0.31034E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918121401920E+02 0.86947E+00 -0.17186E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914363862895E+02 0.37575E+00 -0.54176E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913550446621E+02 0.81342E-01 -0.13237E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913468998391E+02 0.81448E-02 -0.44381E-02 760 0.108E+00 0.301E-01
DAV: 11 -0.913514407879E+02 -0.45409E-02 -0.12602E-02 608 0.584E-01 0.139E-01
DAV: 12 -0.913545430333E+02 -0.31022E-02 -0.28013E-03 623 0.236E-01 0.108E-01
DAV: 13 -0.913581037197E+02 -0.35607E-02 -0.16091E-03 685 0.213E-01 0.424E-02
DAV: 14 -0.913615911133E+02 -0.34874E-02 -0.65790E-04 656 0.151E-01 0.308E-02
DAV: 15 -0.913627103928E+02 -0.11193E-02 -0.11162E-04 712 0.684E-02 0.297E-02
DAV: 16 -0.913641358954E+02 -0.14255E-02 -0.38004E-04 634 0.108E-01 0.232E-02
DAV: 17 -0.913644061785E+02 -0.27028E-03 -0.53862E-05 688 0.570E-02 0.143E-02
DAV: 18 -0.913645959235E+02 -0.18974E-03 -0.53889E-05 637 0.390E-02 0.107E-02
DAV: 19 -0.913647416709E+02 -0.14575E-03 -0.13793E-05 437 0.190E-02 0.533E-03
DAV: 20 -0.913647841720E+02 -0.42501E-04 -0.92943E-06 488 0.164E-02 0.226E-03
DAV: 21 -0.913648055640E+02 -0.21392E-04 -0.46325E-06 432 0.113E-02 0.215E-03
DAV: 22 -0.913648116421E+02 -0.60781E-05 -0.12138E-06 480 0.486E-03
1 F= -.91364812E+02 E0= -.91369639E+02 d E =0.144807E-01