./iterations/neb0_image03_iter141_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 0.365333377272E+03 0.36533E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.216392795393E+01 -0.36317E+03 -0.35088E+03 853 0.195E+02
DAV: 3 -0.960180106783E+02 -0.98182E+02 -0.97858E+02 696 0.116E+02
DAV: 4 -0.100193132543E+03 -0.41751E+01 -0.41652E+01 712 0.270E+01
DAV: 5 -0.100273972730E+03 -0.80840E-01 -0.80812E-01 736 0.336E+00 0.222E+01
DAV: 6 -0.916955673270E+02 0.85784E+01 -0.30677E+01 680 0.297E+01 0.116E+01
DAV: 7 -0.908519889688E+02 0.84358E+00 -0.18222E+00 712 0.650E+00 0.484E+00
DAV: 8 -0.904472934372E+02 0.40470E+00 -0.58096E-01 704 0.451E+00 0.169E+00
DAV: 9 -0.903523880800E+02 0.94905E-01 -0.13163E-01 704 0.189E+00 0.480E-01
DAV: 10 -0.903427746821E+02 0.96134E-02 -0.40973E-02 720 0.103E+00 0.349E-01
DAV: 11 -0.903446049513E+02 -0.18303E-02 -0.58561E-03 712 0.583E-01 0.151E-01
DAV: 12 -0.903470328797E+02 -0.24279E-02 -0.45405E-03 618 0.348E-01 0.116E-01
DAV: 13 -0.903518769726E+02 -0.48441E-02 -0.28012E-03 653 0.294E-01 0.823E-02
DAV: 14 -0.903567961909E+02 -0.49192E-02 -0.11192E-03 636 0.176E-01 0.541E-02
DAV: 15 -0.903582196034E+02 -0.14234E-02 -0.27897E-04 712 0.933E-02 0.216E-02
DAV: 16 -0.903599825388E+02 -0.17629E-02 -0.16690E-04 655 0.604E-02 0.119E-02
DAV: 17 -0.903608415986E+02 -0.85906E-03 -0.71376E-05 624 0.367E-02 0.769E-03
DAV: 18 -0.903611924120E+02 -0.35081E-03 -0.52335E-05 623 0.324E-02 0.653E-03
DAV: 19 -0.903612308026E+02 -0.38391E-04 -0.39126E-06 544 0.201E-02 0.388E-03
DAV: 20 -0.903613053446E+02 -0.74542E-04 -0.18559E-05 466 0.248E-02 0.589E-03
DAV: 21 -0.903613279058E+02 -0.22561E-04 -0.38768E-06 472 0.177E-02 0.254E-03
DAV: 22 -0.903613378823E+02 -0.99765E-05 -0.60682E-06 480 0.141E-02
1 F= -.90361338E+02 E0= -.90370103E+02 d E =0.262960E-01