./iterations/neb0_image04_iter240_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 0.367228632689E+03 0.36723E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.119486997358E+01 -0.36603E+03 -0.35477E+03 869 0.195E+02
DAV: 3 -0.961160183923E+02 -0.97311E+02 -0.97024E+02 672 0.116E+02
DAV: 4 -0.100291944913E+03 -0.41759E+01 -0.41667E+01 704 0.273E+01
DAV: 5 -0.100373843482E+03 -0.81899E-01 -0.81869E-01 744 0.341E+00 0.223E+01
DAV: 6 -0.916762077991E+02 0.86976E+01 -0.31303E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908229737013E+02 0.85323E+00 -0.18005E+00 712 0.655E+00 0.485E+00
DAV: 8 -0.904140409124E+02 0.40893E+00 -0.54860E-01 696 0.455E+00 0.179E+00
DAV: 9 -0.903240714656E+02 0.89969E-01 -0.14599E-01 728 0.223E+00 0.615E-01
DAV: 10 -0.903062073715E+02 0.17864E-01 -0.41744E-02 712 0.106E+00 0.366E-01
DAV: 11 -0.903081651348E+02 -0.19578E-02 -0.16111E-02 728 0.684E-01 0.295E-01
DAV: 12 -0.903102385616E+02 -0.20734E-02 -0.39415E-03 677 0.592E-01 0.154E-01
DAV: 13 -0.903135864160E+02 -0.33479E-02 -0.33916E-03 620 0.388E-01 0.108E-01
DAV: 14 -0.903172307025E+02 -0.36443E-02 -0.16957E-03 628 0.235E-01 0.522E-02
DAV: 15 -0.903199926633E+02 -0.27620E-02 -0.77022E-04 661 0.135E-01 0.543E-02
DAV: 16 -0.903222615993E+02 -0.22689E-02 -0.59128E-04 848 0.199E-01 0.450E-02
DAV: 17 -0.903233959989E+02 -0.11344E-02 -0.24693E-04 672 0.776E-02 0.369E-02
DAV: 18 -0.903239097569E+02 -0.51376E-03 -0.13913E-04 722 0.833E-02 0.168E-02
DAV: 19 -0.903241449211E+02 -0.23516E-03 -0.68070E-05 669 0.479E-02 0.122E-02
DAV: 20 -0.903242705924E+02 -0.12567E-03 -0.10103E-05 466 0.181E-02 0.100E-02
DAV: 21 -0.903243906998E+02 -0.12011E-03 -0.30310E-05 527 0.299E-02 0.567E-03
DAV: 22 -0.903244114470E+02 -0.20747E-04 -0.40486E-06 512 0.126E-02 0.332E-03
DAV: 23 -0.903244217034E+02 -0.10256E-04 -0.29130E-06 418 0.995E-03 0.106E-03
DAV: 24 -0.903244249074E+02 -0.32040E-05 -0.53511E-07 496 0.465E-03
1 F= -.90324425E+02 E0= -.90332494E+02 d E =0.242072E-01