./iterations/neb0_image06_iter240_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 0.370144200531E+03 0.37014E+03 -0.14350E+04 640 0.799E+02
DAV: 2 0.407881078175E+01 -0.36607E+03 -0.35395E+03 858 0.193E+02
DAV: 3 -0.953200056874E+02 -0.99399E+02 -0.99033E+02 664 0.116E+02
DAV: 4 -0.100085395498E+03 -0.47654E+01 -0.47499E+01 728 0.288E+01
DAV: 5 -0.100184647737E+03 -0.99252E-01 -0.99200E-01 720 0.369E+00 0.225E+01
DAV: 6 -0.916673759991E+02 0.85173E+01 -0.30120E+01 704 0.301E+01 0.118E+01
DAV: 7 -0.908443646323E+02 0.82301E+00 -0.17293E+00 720 0.629E+00 0.480E+00
DAV: 8 -0.904715015362E+02 0.37286E+00 -0.56324E-01 696 0.418E+00 0.166E+00
DAV: 9 -0.903843716811E+02 0.87130E-01 -0.12771E-01 720 0.160E+00 0.428E-01
DAV: 10 -0.903744780883E+02 0.98936E-02 -0.36428E-02 720 0.941E-01 0.288E-01
DAV: 11 -0.903787324007E+02 -0.42543E-02 -0.10210E-02 602 0.530E-01 0.155E-01
DAV: 12 -0.903808834448E+02 -0.21510E-02 -0.26679E-03 648 0.301E-01 0.834E-02
DAV: 13 -0.903849650821E+02 -0.40816E-02 -0.19211E-03 625 0.210E-01 0.716E-02
DAV: 14 -0.903875418133E+02 -0.25767E-02 -0.64074E-04 824 0.196E-01 0.307E-02
DAV: 15 -0.903900119668E+02 -0.24702E-02 -0.39046E-04 623 0.971E-02 0.351E-02
DAV: 16 -0.903914718297E+02 -0.14599E-02 -0.21114E-04 698 0.880E-02 0.181E-02
DAV: 17 -0.903923301346E+02 -0.85830E-03 -0.16328E-04 653 0.620E-02 0.159E-02
DAV: 18 -0.903925756862E+02 -0.24555E-03 -0.25448E-05 557 0.274E-02 0.828E-03
DAV: 19 -0.903926884856E+02 -0.11280E-03 -0.30094E-05 557 0.310E-02 0.481E-03
DAV: 20 -0.903927066350E+02 -0.18149E-04 -0.34030E-06 528 0.133E-02 0.311E-03
DAV: 21 -0.903927298379E+02 -0.23203E-04 -0.37981E-06 412 0.104E-02 0.131E-03
DAV: 22 -0.903927382964E+02 -0.84586E-05 -0.11169E-06 461 0.686E-03
1 F= -.90392738E+02 E0= -.90397508E+02 d E =0.143081E-01