./iterations/neb0_image04_iter144_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 0.365134178412E+03 0.36513E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.223445601504E+01 -0.36290E+03 -0.34907E+03 866 0.194E+02
DAV: 3 -0.956602484553E+02 -0.97895E+02 -0.97581E+02 669 0.115E+02
DAV: 4 -0.100096262270E+03 -0.44360E+01 -0.44235E+01 728 0.282E+01
DAV: 5 -0.100181263636E+03 -0.85001E-01 -0.84967E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.915321401695E+02 0.86491E+01 -0.30575E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.906779049067E+02 0.85424E+00 -0.18138E+00 712 0.630E+00 0.482E+00
DAV: 8 -0.902755037905E+02 0.40240E+00 -0.56117E-01 704 0.426E+00 0.164E+00
DAV: 9 -0.901806526326E+02 0.94851E-01 -0.13157E-01 720 0.169E+00 0.435E-01
DAV: 10 -0.901716472655E+02 0.90054E-02 -0.45784E-02 704 0.110E+00 0.332E-01
DAV: 11 -0.901766499949E+02 -0.50027E-02 -0.10253E-02 672 0.656E-01 0.152E-01
DAV: 12 -0.901779297485E+02 -0.12798E-02 -0.30756E-03 664 0.362E-01 0.103E-01
DAV: 13 -0.901815330328E+02 -0.36033E-02 -0.12205E-03 615 0.173E-01 0.794E-02
DAV: 14 -0.901857871035E+02 -0.42541E-02 -0.11921E-03 658 0.138E-01 0.360E-02
DAV: 15 -0.901879133719E+02 -0.21263E-02 -0.22416E-04 696 0.888E-02 0.292E-02
DAV: 16 -0.901899515112E+02 -0.20381E-02 -0.35948E-04 676 0.109E-01 0.221E-02
DAV: 17 -0.901904115862E+02 -0.46008E-03 -0.57816E-05 768 0.624E-02 0.123E-02
DAV: 18 -0.901910475495E+02 -0.63596E-03 -0.11255E-04 644 0.480E-02 0.101E-02
DAV: 19 -0.901911588062E+02 -0.11126E-03 -0.99332E-06 482 0.217E-02 0.536E-03
DAV: 20 -0.901912909206E+02 -0.13211E-03 -0.32906E-05 537 0.272E-02 0.604E-03
DAV: 21 -0.901913122867E+02 -0.21366E-04 -0.30709E-06 504 0.139E-02 0.292E-03
DAV: 22 -0.901913273480E+02 -0.15061E-04 -0.58465E-06 407 0.131E-02 0.201E-03
DAV: 23 -0.901913331593E+02 -0.58113E-05 -0.97566E-07 488 0.549E-03
1 F= -.90191333E+02 E0= -.90200413E+02 d E =0.272406E-01