iterations/neb0_image01_iter205_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 0.365765478759E+03 0.36577E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.322846967376E+01 -0.36254E+03 -0.34953E+03 839 0.196E+02
DAV: 3 -0.954365423276E+02 -0.98665E+02 -0.98321E+02 645 0.116E+02
DAV: 4 -0.100234584437E+03 -0.47980E+01 -0.47863E+01 704 0.297E+01
DAV: 5 -0.100330316430E+03 -0.95732E-01 -0.95682E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916947943166E+02 0.86355E+01 -0.30910E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908867981047E+02 0.80800E+00 -0.18319E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905109037354E+02 0.37589E+00 -0.55333E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904286962165E+02 0.82208E-01 -0.13275E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904242070694E+02 0.44891E-02 -0.47217E-02 720 0.124E+00 0.323E-01
DAV: 11 -0.904283033951E+02 -0.40963E-02 -0.79029E-03 608 0.574E-01 0.120E-01
DAV: 12 -0.904316781231E+02 -0.33747E-02 -0.65098E-03 629 0.445E-01 0.132E-01
DAV: 13 -0.904341089547E+02 -0.24308E-02 -0.16306E-03 861 0.310E-01 0.751E-02
DAV: 14 -0.904373022271E+02 -0.31933E-02 -0.14808E-03 642 0.195E-01 0.696E-02
DAV: 15 -0.904388939053E+02 -0.15917E-02 -0.29511E-04 688 0.113E-01 0.553E-02
DAV: 16 -0.904402779181E+02 -0.13840E-02 -0.11058E-03 661 0.205E-01 0.386E-02
DAV: 17 -0.904410919657E+02 -0.81405E-03 -0.14379E-04 661 0.825E-02 0.335E-02
DAV: 18 -0.904414190696E+02 -0.32710E-03 -0.84498E-05 680 0.457E-02 0.185E-02
DAV: 19 -0.904415991795E+02 -0.18011E-03 -0.98845E-05 631 0.558E-02 0.101E-02
DAV: 20 -0.904416263122E+02 -0.27133E-04 -0.91652E-06 512 0.203E-02 0.996E-03
DAV: 21 -0.904416642627E+02 -0.37950E-04 -0.76585E-06 404 0.154E-02 0.698E-03
DAV: 22 -0.904416752189E+02 -0.10956E-04 -0.53613E-06 480 0.173E-02 0.275E-03
DAV: 23 -0.904416790200E+02 -0.38011E-05 -0.50495E-06 466 0.131E-02
1 F= -.90441679E+02 E0= -.90447420E+02 d E =0.172243E-01