iterations/neb0_image03_iter245_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 0.363347466262E+03 0.36335E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.186858430790E+01 -0.36148E+03 -0.35056E+03 834 0.195E+02
DAV: 3 -0.959523243661E+02 -0.97821E+02 -0.97492E+02 672 0.116E+02
DAV: 4 -0.100308975394E+03 -0.43567E+01 -0.43452E+01 704 0.280E+01
DAV: 5 -0.100393605221E+03 -0.84630E-01 -0.84601E-01 736 0.351E+00 0.222E+01
DAV: 6 -0.917159794135E+02 0.86776E+01 -0.31399E+01 677 0.300E+01 0.117E+01
DAV: 7 -0.908781236304E+02 0.83786E+00 -0.17969E+00 720 0.632E+00 0.484E+00
DAV: 8 -0.904864966442E+02 0.39163E+00 -0.55573E-01 704 0.425E+00 0.169E+00
DAV: 9 -0.903945392179E+02 0.91957E-01 -0.13154E-01 720 0.168E+00 0.435E-01
DAV: 10 -0.903879520896E+02 0.65871E-02 -0.47929E-02 704 0.119E+00 0.336E-01
DAV: 11 -0.903928413992E+02 -0.48893E-02 -0.10131E-02 672 0.682E-01 0.124E-01
DAV: 12 -0.903953740939E+02 -0.25327E-02 -0.43559E-03 632 0.315E-01 0.115E-01
DAV: 13 -0.903997910147E+02 -0.44169E-02 -0.20708E-03 730 0.304E-01 0.857E-02
DAV: 14 -0.904027778732E+02 -0.29869E-02 -0.96121E-04 680 0.148E-01 0.503E-02
DAV: 15 -0.904050039149E+02 -0.22260E-02 -0.40890E-04 653 0.102E-01 0.246E-02
DAV: 16 -0.904063240780E+02 -0.13202E-02 -0.19520E-04 672 0.663E-02 0.176E-02
DAV: 17 -0.904071479994E+02 -0.82392E-03 -0.10819E-04 647 0.509E-02 0.915E-03
DAV: 18 -0.904073893676E+02 -0.24137E-03 -0.46885E-05 616 0.332E-02 0.979E-03
DAV: 19 -0.904074279017E+02 -0.38534E-04 -0.70319E-06 504 0.205E-02 0.370E-03
DAV: 20 -0.904074882695E+02 -0.60368E-04 -0.13633E-05 450 0.197E-02 0.361E-03
DAV: 21 -0.904075147376E+02 -0.26468E-04 -0.35991E-06 477 0.889E-03 0.271E-03
DAV: 22 -0.904075177714E+02 -0.30338E-05 -0.81161E-07 544 0.476E-03
1 F= -.90407518E+02 E0= -.90415060E+02 d E =0.226259E-01