./iterations/neb0_image03_iter36_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 0.369186749556E+03 0.36919E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.343361500451E+01 -0.36575E+03 -0.35308E+03 853 0.195E+02
DAV: 3 -0.954734122613E+02 -0.98907E+02 -0.98582E+02 664 0.116E+02
DAV: 4 -0.100016779114E+03 -0.45434E+01 -0.45340E+01 720 0.287E+01
DAV: 5 -0.100103517063E+03 -0.86738E-01 -0.86690E-01 728 0.358E+00 0.224E+01
DAV: 6 -0.914348487338E+02 0.86687E+01 -0.30463E+01 688 0.297E+01 0.117E+01
DAV: 7 -0.905649695933E+02 0.86988E+00 -0.18174E+00 704 0.636E+00 0.481E+00
DAV: 8 -0.901620104060E+02 0.40296E+00 -0.55464E-01 696 0.424E+00 0.168E+00
DAV: 9 -0.900659061185E+02 0.96104E-01 -0.14434E-01 704 0.170E+00 0.446E-01
DAV: 10 -0.900575925475E+02 0.83136E-02 -0.42997E-02 704 0.121E+00 0.331E-01
DAV: 11 -0.900607798789E+02 -0.31873E-02 -0.72296E-03 608 0.538E-01 0.130E-01
DAV: 12 -0.900636154562E+02 -0.28356E-02 -0.55333E-03 607 0.345E-01 0.120E-01
DAV: 13 -0.900669628670E+02 -0.33474E-02 -0.11618E-03 872 0.286E-01 0.693E-02
DAV: 14 -0.900704628437E+02 -0.35000E-02 -0.10062E-03 634 0.154E-01 0.550E-02
DAV: 15 -0.900733419114E+02 -0.28791E-02 -0.38950E-04 706 0.105E-01 0.318E-02
DAV: 16 -0.900749499632E+02 -0.16081E-02 -0.38670E-04 664 0.105E-01 0.280E-02
DAV: 17 -0.900757385215E+02 -0.78856E-03 -0.15447E-04 869 0.906E-02 0.126E-02
DAV: 18 -0.900760795542E+02 -0.34103E-03 -0.48080E-05 637 0.362E-02 0.115E-02
DAV: 19 -0.900762731880E+02 -0.19363E-03 -0.20966E-05 522 0.240E-02 0.674E-03
DAV: 20 -0.900763434867E+02 -0.70299E-04 -0.20944E-05 557 0.285E-02 0.470E-03
DAV: 21 -0.900763961030E+02 -0.52616E-04 -0.66462E-06 434 0.120E-02 0.366E-03
DAV: 22 -0.900764079990E+02 -0.11896E-04 -0.22933E-06 477 0.778E-03 0.188E-03
DAV: 23 -0.900764133563E+02 -0.53573E-05 -0.15983E-06 431 0.705E-03
1 F= -.90076413E+02 E0= -.90087814E+02 d E =0.342025E-01