iterations/neb0_image01_iter204_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 0.365846182458E+03 0.36585E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.323693238219E+01 -0.36261E+03 -0.34961E+03 839 0.196E+02
DAV: 3 -0.954992406411E+02 -0.98736E+02 -0.98388E+02 653 0.116E+02
DAV: 4 -0.100238696866E+03 -0.47395E+01 -0.47282E+01 704 0.296E+01
DAV: 5 -0.100332935204E+03 -0.94238E-01 -0.94191E-01 728 0.374E+00 0.222E+01
DAV: 6 -0.916942415513E+02 0.86387E+01 -0.30926E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908858355459E+02 0.80841E+00 -0.18320E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905099246866E+02 0.37591E+00 -0.55365E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904277757511E+02 0.82149E-01 -0.13236E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904232902214E+02 0.44855E-02 -0.47243E-02 712 0.124E+00 0.323E-01
DAV: 11 -0.904274505862E+02 -0.41604E-02 -0.80843E-03 608 0.586E-01 0.119E-01
DAV: 12 -0.904307612897E+02 -0.33107E-02 -0.63785E-03 629 0.436E-01 0.131E-01
DAV: 13 -0.904332254508E+02 -0.24642E-02 -0.16060E-03 853 0.308E-01 0.755E-02
DAV: 14 -0.904364479606E+02 -0.32225E-02 -0.15091E-03 642 0.198E-01 0.710E-02
DAV: 15 -0.904379952050E+02 -0.15472E-02 -0.28633E-04 704 0.114E-01 0.555E-02
DAV: 16 -0.904393841787E+02 -0.13890E-02 -0.11470E-03 661 0.209E-01 0.399E-02
DAV: 17 -0.904401935430E+02 -0.80936E-03 -0.14800E-04 661 0.847E-02 0.338E-02
DAV: 18 -0.904405144025E+02 -0.32086E-03 -0.79345E-05 680 0.440E-02 0.196E-02
DAV: 19 -0.904407058848E+02 -0.19148E-03 -0.10795E-04 631 0.593E-02 0.102E-02
DAV: 20 -0.904407318646E+02 -0.25980E-04 -0.10975E-05 512 0.218E-02 0.100E-02
DAV: 21 -0.904407700991E+02 -0.38235E-04 -0.79327E-06 407 0.159E-02 0.721E-03
DAV: 22 -0.904407833949E+02 -0.13296E-04 -0.51975E-06 480 0.176E-02 0.315E-03
DAV: 23 -0.904407878456E+02 -0.44507E-05 -0.64140E-06 466 0.145E-02
1 F= -.90440788E+02 E0= -.90446680E+02 d E =0.176779E-01