iterations/neb0_image01_iter167_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 0.365751528169E+03 0.36575E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.319969495280E+01 -0.36255E+03 -0.34966E+03 839 0.196E+02
DAV: 3 -0.955895020741E+02 -0.98789E+02 -0.98440E+02 669 0.116E+02
DAV: 4 -0.100223024430E+03 -0.46335E+01 -0.46225E+01 680 0.287E+01
DAV: 5 -0.100316421935E+03 -0.93398E-01 -0.93346E-01 728 0.363E+00 0.222E+01
DAV: 6 -0.916859311578E+02 0.86305E+01 -0.31014E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908813945669E+02 0.80454E+00 -0.18299E+00 704 0.639E+00 0.484E+00
DAV: 8 -0.905056934696E+02 0.37570E+00 -0.55516E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904237828664E+02 0.81911E-01 -0.13289E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904191295017E+02 0.46534E-02 -0.46913E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904231639266E+02 -0.40344E-02 -0.77130E-03 608 0.559E-01 0.122E-01
DAV: 12 -0.904265518603E+02 -0.33879E-02 -0.65168E-03 637 0.452E-01 0.131E-01
DAV: 13 -0.904289733047E+02 -0.24214E-02 -0.16339E-03 861 0.309E-01 0.747E-02
DAV: 14 -0.904321428078E+02 -0.31695E-02 -0.14430E-03 631 0.190E-01 0.672E-02
DAV: 15 -0.904337666393E+02 -0.16238E-02 -0.30745E-04 680 0.113E-01 0.537E-02
DAV: 16 -0.904351579415E+02 -0.13913E-02 -0.10890E-03 661 0.203E-01 0.394E-02
DAV: 17 -0.904359535122E+02 -0.79557E-03 -0.14422E-04 661 0.825E-02 0.336E-02
DAV: 18 -0.904362608167E+02 -0.30730E-03 -0.81713E-05 672 0.453E-02 0.186E-02
DAV: 19 -0.904364476331E+02 -0.18682E-03 -0.92302E-05 636 0.539E-02 0.884E-03
DAV: 20 -0.904364781428E+02 -0.30510E-04 -0.94717E-06 512 0.209E-02 0.972E-03
DAV: 21 -0.904365158589E+02 -0.37716E-04 -0.73927E-06 407 0.154E-02 0.737E-03
DAV: 22 -0.904365288404E+02 -0.12981E-04 -0.51329E-06 480 0.184E-02 0.314E-03
DAV: 23 -0.904365319940E+02 -0.31536E-05 -0.71908E-06 496 0.152E-02
1 F= -.90436532E+02 E0= -.90441735E+02 d E =0.156087E-01