iterations/neb0_image05_iter107_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 0.372761400390E+03 0.37276E+03 -0.14303E+04 632 0.799E+02
DAV: 2 0.368324857093E+01 -0.36908E+03 -0.35677E+03 882 0.194E+02
DAV: 3 -0.941980110103E+02 -0.97881E+02 -0.97520E+02 637 0.116E+02
DAV: 4 -0.988050002763E+02 -0.46070E+01 -0.45950E+01 704 0.297E+01
DAV: 5 -0.989031689278E+02 -0.98169E-01 -0.98114E-01 720 0.384E+00 0.219E+01
DAV: 6 -0.905514431463E+02 0.83517E+01 -0.28687E+01 674 0.289E+01 0.112E+01
DAV: 7 -0.896702272255E+02 0.88122E+00 -0.17957E+00 736 0.668E+00 0.469E+00
DAV: 8 -0.892791538916E+02 0.39107E+00 -0.62582E-01 704 0.448E+00 0.157E+00
DAV: 9 -0.891964675744E+02 0.82686E-01 -0.12569E-01 728 0.168E+00 0.449E-01
DAV: 10 -0.891847362599E+02 0.11731E-01 -0.50383E-02 736 0.121E+00 0.343E-01
DAV: 11 -0.891863703748E+02 -0.16341E-02 -0.12347E-02 648 0.641E-01 0.127E-01
DAV: 12 -0.891879513551E+02 -0.15810E-02 -0.32927E-03 680 0.320E-01 0.126E-01
DAV: 13 -0.891936942151E+02 -0.57429E-02 -0.32313E-03 671 0.382E-01 0.750E-02
DAV: 14 -0.891963973191E+02 -0.27031E-02 -0.85731E-04 696 0.155E-01 0.549E-02
DAV: 15 -0.891994240928E+02 -0.30268E-02 -0.11289E-03 623 0.196E-01 0.390E-02
DAV: 16 -0.892004419175E+02 -0.10178E-02 -0.14213E-04 768 0.806E-02 0.240E-02
DAV: 17 -0.892015598204E+02 -0.11179E-02 -0.20360E-04 625 0.721E-02 0.103E-02
DAV: 18 -0.892020718631E+02 -0.51204E-03 -0.46478E-05 602 0.364E-02 0.659E-03
DAV: 19 -0.892022326226E+02 -0.16076E-03 -0.18176E-05 536 0.217E-02 0.384E-03
DAV: 20 -0.892023302351E+02 -0.97612E-04 -0.14205E-05 427 0.171E-02 0.360E-03
DAV: 21 -0.892023420409E+02 -0.11806E-04 -0.20780E-06 512 0.815E-03 0.286E-03
DAV: 22 -0.892023510612E+02 -0.90203E-05 -0.42134E-06 398 0.136E-02
1 F= -.89202351E+02 E0= -.89206234E+02 d E =0.116494E-01