iterations/neb0_image05_iter49_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 0.373145574448E+03 0.37315E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.422767133782E+01 -0.36892E+03 -0.35703E+03 877 0.195E+02
DAV: 3 -0.937061691957E+02 -0.97934E+02 -0.97585E+02 637 0.116E+02
DAV: 4 -0.984262374739E+02 -0.47201E+01 -0.47062E+01 720 0.299E+01
DAV: 5 -0.985270178254E+02 -0.10078E+00 -0.10074E+00 704 0.390E+00 0.219E+01
DAV: 6 -0.902671147260E+02 0.82599E+01 -0.28902E+01 701 0.292E+01 0.113E+01
DAV: 7 -0.894206249637E+02 0.84649E+00 -0.17297E+00 720 0.652E+00 0.465E+00
DAV: 8 -0.890422560852E+02 0.37837E+00 -0.59348E-01 696 0.426E+00 0.159E+00
DAV: 9 -0.889552213728E+02 0.87035E-01 -0.12918E-01 712 0.160E+00 0.436E-01
DAV: 10 -0.889445722197E+02 0.10649E-01 -0.33822E-02 728 0.981E-01 0.299E-01
DAV: 11 -0.889467925745E+02 -0.22204E-02 -0.93388E-03 613 0.573E-01 0.128E-01
DAV: 12 -0.889490182644E+02 -0.22257E-02 -0.21045E-03 677 0.262E-01 0.965E-02
DAV: 13 -0.889542861836E+02 -0.52679E-02 -0.22344E-03 636 0.280E-01 0.793E-02
DAV: 14 -0.889566761683E+02 -0.23900E-02 -0.69024E-04 741 0.166E-01 0.356E-02
DAV: 15 -0.889594567427E+02 -0.27806E-02 -0.70048E-04 642 0.142E-01 0.391E-02
DAV: 16 -0.889606772749E+02 -0.12205E-02 -0.18417E-04 813 0.973E-02 0.175E-02
DAV: 17 -0.889618456363E+02 -0.11684E-02 -0.22188E-04 647 0.835E-02 0.197E-02
DAV: 18 -0.889621483959E+02 -0.30276E-03 -0.40783E-05 629 0.437E-02 0.138E-02
DAV: 19 -0.889623060851E+02 -0.15769E-03 -0.77310E-05 648 0.549E-02 0.100E-02
DAV: 20 -0.889623995660E+02 -0.93481E-04 -0.12647E-05 468 0.258E-02 0.687E-03
DAV: 21 -0.889624496766E+02 -0.50111E-04 -0.92391E-06 445 0.144E-02 0.362E-03
DAV: 22 -0.889624632318E+02 -0.13555E-04 -0.32313E-06 512 0.983E-03 0.142E-03
DAV: 23 -0.889624703114E+02 -0.70796E-05 -0.17707E-06 423 0.655E-03
1 F= -.88962470E+02 E0= -.88966343E+02 d E =0.116178E-01