./iterations/neb0_image07_iter70_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 0.378686532414E+03 0.37869E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.441191443884E+01 -0.37427E+03 -0.36097E+03 869 0.196E+02
DAV: 3 -0.964473355121E+02 -0.10086E+03 -0.10053E+03 672 0.117E+02
DAV: 4 -0.100926220519E+03 -0.44789E+01 -0.44684E+01 704 0.285E+01
DAV: 5 -0.101014018879E+03 -0.87798E-01 -0.87761E-01 728 0.358E+00 0.228E+01
DAV: 6 -0.923497344253E+02 0.86643E+01 -0.30679E+01 701 0.303E+01 0.120E+01
DAV: 7 -0.914603681875E+02 0.88937E+00 -0.16770E+00 736 0.615E+00 0.483E+00
DAV: 8 -0.910739696736E+02 0.38640E+00 -0.56451E-01 696 0.409E+00 0.163E+00
DAV: 9 -0.909889475104E+02 0.85022E-01 -0.13364E-01 712 0.157E+00 0.429E-01
DAV: 10 -0.909790000255E+02 0.99475E-02 -0.49591E-02 720 0.114E+00 0.316E-01
DAV: 11 -0.909835177555E+02 -0.45177E-02 -0.13374E-02 613 0.616E-01 0.145E-01
DAV: 12 -0.909865303501E+02 -0.30126E-02 -0.36143E-03 616 0.272E-01 0.150E-01
DAV: 13 -0.909905008647E+02 -0.39705E-02 -0.33265E-03 725 0.349E-01 0.609E-02
DAV: 14 -0.909927818103E+02 -0.22809E-02 -0.51819E-04 664 0.115E-01 0.578E-02
DAV: 15 -0.909956988405E+02 -0.29170E-02 -0.41131E-04 631 0.957E-02 0.331E-02
DAV: 16 -0.909967657906E+02 -0.10670E-02 -0.33594E-04 677 0.913E-02 0.269E-02
DAV: 17 -0.909973736101E+02 -0.60782E-03 -0.87107E-05 653 0.515E-02 0.129E-02
DAV: 18 -0.909975669147E+02 -0.19330E-03 -0.24652E-05 552 0.230E-02 0.696E-03
DAV: 19 -0.909976226049E+02 -0.55690E-04 -0.81213E-06 488 0.164E-02 0.191E-03
DAV: 20 -0.909976718600E+02 -0.49255E-04 -0.58894E-06 420 0.107E-02 0.260E-03
DAV: 21 -0.909976860378E+02 -0.14178E-04 -0.16680E-06 493 0.574E-03 0.209E-03
DAV: 22 -0.909976922717E+02 -0.62340E-05 -0.17791E-06 401 0.834E-03
1 F= -.90997692E+02 E0= -.91002567E+02 d E =0.146233E-01