iterations/neb0_image02_iter110_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 0.367737295179E+03 0.36774E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.460282360881E+01 -0.36313E+03 -0.34847E+03 834 0.195E+02
DAV: 3 -0.954909144559E+02 -0.10009E+03 -0.99760E+02 672 0.116E+02
DAV: 4 -0.100174266510E+03 -0.46834E+01 -0.46721E+01 712 0.287E+01
DAV: 5 -0.100266797114E+03 -0.92531E-01 -0.92490E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916692089427E+02 0.85976E+01 -0.30851E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908468701407E+02 0.82234E+00 -0.18210E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904613825989E+02 0.38549E+00 -0.56148E-01 688 0.429E+00 0.168E+00
DAV: 9 -0.903725724400E+02 0.88810E-01 -0.13802E-01 704 0.165E+00 0.434E-01
DAV: 10 -0.903663338686E+02 0.62386E-02 -0.48084E-02 704 0.129E+00 0.325E-01
DAV: 11 -0.903699168174E+02 -0.35829E-02 -0.72535E-03 608 0.492E-01 0.150E-01
DAV: 12 -0.903732754521E+02 -0.33586E-02 -0.74417E-03 624 0.477E-01 0.132E-01
DAV: 13 -0.903760947075E+02 -0.28193E-02 -0.15554E-03 976 0.333E-01 0.820E-02
DAV: 14 -0.903791003096E+02 -0.30056E-02 -0.13538E-03 637 0.173E-01 0.570E-02
DAV: 15 -0.903814430149E+02 -0.23427E-02 -0.40227E-04 680 0.110E-01 0.433E-02
DAV: 16 -0.903828291821E+02 -0.13862E-02 -0.60652E-04 656 0.139E-01 0.307E-02
DAV: 17 -0.903837165983E+02 -0.88742E-03 -0.14960E-04 671 0.819E-02 0.203E-02
DAV: 18 -0.903838818234E+02 -0.16523E-03 -0.53343E-05 704 0.370E-02 0.983E-03
DAV: 19 -0.903840588044E+02 -0.17698E-03 -0.27727E-05 519 0.269E-02 0.321E-03
DAV: 20 -0.903841100205E+02 -0.51216E-04 -0.40686E-06 480 0.113E-02 0.386E-03
DAV: 21 -0.903841475636E+02 -0.37543E-04 -0.63468E-06 423 0.150E-02 0.499E-03
DAV: 22 -0.903841660936E+02 -0.18530E-04 -0.44973E-06 477 0.129E-02 0.299E-03
DAV: 23 -0.903841679560E+02 -0.18625E-05 -0.32193E-06 544 0.102E-02
1 F= -.90384168E+02 E0= -.90389876E+02 d E =0.171247E-01