iterations/neb0_image02_iter275_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 0.365474539121E+03 0.36547E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.146394549245E+01 -0.36401E+03 -0.35242E+03 858 0.195E+02
DAV: 3 -0.955983120013E+02 -0.97062E+02 -0.96729E+02 640 0.116E+02
DAV: 4 -0.100226067048E+03 -0.46278E+01 -0.46168E+01 712 0.294E+01
DAV: 5 -0.100318039483E+03 -0.91972E-01 -0.91939E-01 720 0.371E+00 0.222E+01
DAV: 6 -0.916561265109E+02 0.86619E+01 -0.31008E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908445300553E+02 0.81160E+00 -0.18152E+00 712 0.634E+00 0.484E+00
DAV: 8 -0.904668414662E+02 0.37769E+00 -0.54651E-01 704 0.428E+00 0.170E+00
DAV: 9 -0.903826164314E+02 0.84225E-01 -0.13473E-01 720 0.171E+00 0.427E-01
DAV: 10 -0.903786933791E+02 0.39231E-02 -0.49909E-02 712 0.128E+00 0.332E-01
DAV: 11 -0.903825655842E+02 -0.38722E-02 -0.89452E-03 621 0.629E-01 0.116E-01
DAV: 12 -0.903856582485E+02 -0.30927E-02 -0.68825E-03 632 0.429E-01 0.140E-01
DAV: 13 -0.903879306013E+02 -0.22724E-02 -0.19626E-03 869 0.339E-01 0.811E-02
DAV: 14 -0.903911943384E+02 -0.32637E-02 -0.16510E-03 623 0.214E-01 0.802E-02
DAV: 15 -0.903926418455E+02 -0.14475E-02 -0.26473E-04 688 0.104E-01 0.653E-02
DAV: 16 -0.903939605289E+02 -0.13187E-02 -0.12762E-03 656 0.225E-01 0.376E-02
DAV: 17 -0.903947128385E+02 -0.75231E-03 -0.15074E-04 672 0.785E-02 0.365E-02
DAV: 18 -0.903950560968E+02 -0.34326E-03 -0.58431E-05 672 0.360E-02 0.260E-02
DAV: 19 -0.903952811196E+02 -0.22502E-03 -0.15258E-04 639 0.734E-02 0.101E-02
DAV: 20 -0.903953117158E+02 -0.30596E-04 -0.18870E-05 576 0.276E-02 0.109E-02
DAV: 21 -0.903953439644E+02 -0.32249E-04 -0.91960E-06 412 0.176E-02 0.716E-03
DAV: 22 -0.903953572962E+02 -0.13332E-04 -0.77881E-06 477 0.197E-02 0.292E-03
DAV: 23 -0.903953593758E+02 -0.20796E-05 -0.36042E-06 536 0.112E-02
1 F= -.90395359E+02 E0= -.90401107E+02 d E =0.172418E-01