iterations/neb0_image02_iter106_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 0.364949685372E+03 0.36495E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.406413738010E+01 -0.36089E+03 -0.34624E+03 834 0.195E+02
DAV: 3 -0.956086313218E+02 -0.99673E+02 -0.99343E+02 680 0.116E+02
DAV: 4 -0.100192975124E+03 -0.45843E+01 -0.45736E+01 704 0.282E+01
DAV: 5 -0.100282365041E+03 -0.89390E-01 -0.89348E-01 736 0.353E+00 0.222E+01
DAV: 6 -0.916577566361E+02 0.86246E+01 -0.30989E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908398167996E+02 0.81794E+00 -0.18310E+00 704 0.632E+00 0.483E+00
DAV: 8 -0.904548922518E+02 0.38492E+00 -0.55475E-01 696 0.426E+00 0.169E+00
DAV: 9 -0.903647911943E+02 0.90101E-01 -0.13851E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903585114838E+02 0.62797E-02 -0.48549E-02 704 0.128E+00 0.325E-01
DAV: 11 -0.903622634577E+02 -0.37520E-02 -0.75420E-03 608 0.504E-01 0.141E-01
DAV: 12 -0.903656625069E+02 -0.33990E-02 -0.72129E-03 629 0.458E-01 0.133E-01
DAV: 13 -0.903682906655E+02 -0.26282E-02 -0.16199E-03 920 0.338E-01 0.798E-02
DAV: 14 -0.903714038908E+02 -0.31132E-02 -0.14078E-03 634 0.181E-01 0.602E-02
DAV: 15 -0.903736071758E+02 -0.22033E-02 -0.37142E-04 688 0.109E-01 0.451E-02
DAV: 16 -0.903750321177E+02 -0.14249E-02 -0.73807E-04 653 0.155E-01 0.345E-02
DAV: 17 -0.903759127211E+02 -0.88060E-03 -0.16107E-04 754 0.859E-02 0.223E-02
DAV: 18 -0.903760567236E+02 -0.14400E-03 -0.47918E-05 712 0.362E-02 0.111E-02
DAV: 19 -0.903762748955E+02 -0.21817E-03 -0.37201E-05 564 0.306E-02 0.397E-03
DAV: 20 -0.903763245813E+02 -0.49686E-04 -0.46625E-06 480 0.132E-02 0.469E-03
DAV: 21 -0.903763679127E+02 -0.43331E-04 -0.73304E-06 423 0.170E-02 0.505E-03
DAV: 22 -0.903763888677E+02 -0.20955E-04 -0.43465E-06 469 0.130E-02 0.318E-03
DAV: 23 -0.903763905260E+02 -0.16583E-05 -0.39830E-06 544 0.110E-02
1 F= -.90376391E+02 E0= -.90381838E+02 d E =0.163416E-01