iterations/neb0_image08_iter41_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 0.376246529596E+03 0.37625E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.376740703141E+01 -0.37248E+03 -0.35868E+03 869 0.196E+02
DAV: 3 -0.967038010756E+02 -0.10047E+03 -0.10014E+03 680 0.117E+02
DAV: 4 -0.101092866333E+03 -0.43891E+01 -0.43789E+01 696 0.279E+01
DAV: 5 -0.101178216392E+03 -0.85350E-01 -0.85313E-01 728 0.352E+00 0.227E+01
DAV: 6 -0.925284932557E+02 0.86497E+01 -0.30733E+01 690 0.302E+01 0.119E+01
DAV: 7 -0.916537472882E+02 0.87475E+00 -0.17053E+00 728 0.617E+00 0.481E+00
DAV: 8 -0.912746408175E+02 0.37911E+00 -0.55521E-01 696 0.402E+00 0.164E+00
DAV: 9 -0.911902541577E+02 0.84387E-01 -0.13138E-01 704 0.158E+00 0.431E-01
DAV: 10 -0.911807866788E+02 0.94675E-02 -0.43193E-02 768 0.107E+00 0.298E-01
DAV: 11 -0.911857175123E+02 -0.49308E-02 -0.14351E-02 608 0.634E-01 0.170E-01
DAV: 12 -0.911878548980E+02 -0.21374E-02 -0.24246E-03 650 0.266E-01 0.981E-02
DAV: 13 -0.911921689165E+02 -0.43140E-02 -0.25226E-03 639 0.254E-01 0.591E-02
DAV: 14 -0.911941298249E+02 -0.19609E-02 -0.54744E-04 728 0.177E-01 0.390E-02
DAV: 15 -0.911971541588E+02 -0.30243E-02 -0.66620E-04 625 0.125E-01 0.352E-02
DAV: 16 -0.911978491224E+02 -0.69496E-03 -0.85117E-05 752 0.670E-02 0.169E-02
DAV: 17 -0.911987872884E+02 -0.93817E-03 -0.18703E-04 628 0.735E-02 0.152E-02
DAV: 18 -0.911990809669E+02 -0.29368E-03 -0.24241E-05 552 0.312E-02 0.123E-02
DAV: 19 -0.911992166602E+02 -0.13569E-03 -0.37658E-05 640 0.347E-02 0.479E-03
DAV: 20 -0.911992577374E+02 -0.41077E-04 -0.46996E-06 496 0.175E-02 0.158E-03
DAV: 21 -0.911992790343E+02 -0.21297E-04 -0.24428E-06 410 0.729E-03 0.153E-03
DAV: 22 -0.911992905203E+02 -0.11486E-04 -0.14031E-06 457 0.439E-03 0.141E-03
DAV: 23 -0.911992920731E+02 -0.15528E-05 -0.28530E-07 496 0.230E-03
1 F= -.91199292E+02 E0= -.91204322E+02 d E =0.150898E-01