./iterations/neb0_image03_iter6_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 0.365546742496E+03 0.36555E+03 -0.14271E+04 624 0.799E+02
DAV: 2 0.504150662350E+01 -0.36051E+03 -0.34805E+03 847 0.194E+02
DAV: 3 -0.935535995612E+02 -0.98595E+02 -0.98182E+02 664 0.116E+02
DAV: 4 -0.982101994409E+02 -0.46566E+01 -0.46416E+01 720 0.284E+01
DAV: 5 -0.983081280942E+02 -0.97929E-01 -0.97884E-01 736 0.362E+00 0.219E+01
DAV: 6 -0.893012226878E+02 0.90069E+01 -0.32613E+01 696 0.310E+01 0.114E+01
DAV: 7 -0.885440854359E+02 0.75714E+00 -0.18643E+00 712 0.669E+00 0.484E+00
DAV: 8 -0.881672794840E+02 0.37681E+00 -0.59524E-01 688 0.435E+00 0.180E+00
DAV: 9 -0.880708874733E+02 0.96392E-01 -0.14859E-01 712 0.179E+00 0.453E-01
DAV: 10 -0.880632144902E+02 0.76730E-02 -0.29726E-02 776 0.815E-01 0.298E-01
DAV: 11 -0.880676947227E+02 -0.44802E-02 -0.16644E-02 605 0.812E-01 0.197E-01
DAV: 12 -0.880683089055E+02 -0.61418E-03 -0.35876E-03 768 0.391E-01 0.141E-01
DAV: 13 -0.880725233927E+02 -0.42145E-02 -0.69785E-03 623 0.570E-01 0.114E-01
DAV: 14 -0.880745020968E+02 -0.19787E-02 -0.11459E-03 696 0.219E-01 0.856E-02
DAV: 15 -0.880766628016E+02 -0.21607E-02 -0.15607E-03 663 0.234E-01 0.326E-02
DAV: 16 -0.880787093178E+02 -0.20465E-02 -0.27623E-04 674 0.108E-01 0.202E-02
DAV: 17 -0.880795857152E+02 -0.87640E-03 -0.93276E-05 688 0.446E-02 0.112E-02
DAV: 18 -0.880802617379E+02 -0.67602E-03 -0.91527E-05 650 0.445E-02 0.791E-03
DAV: 19 -0.880803610405E+02 -0.99303E-04 -0.67174E-06 528 0.178E-02 0.607E-03
DAV: 20 -0.880804953256E+02 -0.13429E-03 -0.30194E-05 531 0.287E-02 0.646E-03
DAV: 21 -0.880805079518E+02 -0.12626E-04 -0.33103E-06 509 0.154E-02 0.310E-03
DAV: 22 -0.880805303001E+02 -0.22348E-04 -0.74724E-06 386 0.151E-02 0.262E-03
DAV: 23 -0.880805401077E+02 -0.98077E-05 -0.16068E-06 485 0.614E-03
1 F= -.88080540E+02 E0= -.88084412E+02 d E =0.116156E-01