iterations/neb0_image01_iter112_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 0.366420525899E+03 0.36642E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.338583689103E+01 -0.36303E+03 -0.34973E+03 839 0.195E+02
DAV: 3 -0.956939279382E+02 -0.99080E+02 -0.98735E+02 677 0.116E+02
DAV: 4 -0.100203361927E+03 -0.45094E+01 -0.44998E+01 693 0.282E+01
DAV: 5 -0.100293477021E+03 -0.90115E-01 -0.90063E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916770903606E+02 0.86164E+01 -0.31138E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908697736114E+02 0.80732E+00 -0.18213E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904907309753E+02 0.37904E+00 -0.55460E-01 712 0.427E+00 0.168E+00
DAV: 9 -0.904062223730E+02 0.84509E-01 -0.13527E-01 704 0.164E+00 0.426E-01
DAV: 10 -0.904010161709E+02 0.52062E-02 -0.45919E-02 728 0.124E+00 0.316E-01
DAV: 11 -0.904049680752E+02 -0.39519E-02 -0.68755E-03 608 0.493E-01 0.135E-01
DAV: 12 -0.904085152131E+02 -0.35471E-02 -0.67635E-03 629 0.470E-01 0.128E-01
DAV: 13 -0.904111217837E+02 -0.26066E-02 -0.14455E-03 848 0.309E-01 0.751E-02
DAV: 14 -0.904141374372E+02 -0.30157E-02 -0.14233E-03 634 0.180E-01 0.603E-02
DAV: 15 -0.904160975640E+02 -0.19601E-02 -0.36316E-04 696 0.119E-01 0.465E-02
DAV: 16 -0.904174697547E+02 -0.13722E-02 -0.85738E-04 653 0.172E-01 0.382E-02
DAV: 17 -0.904182746042E+02 -0.80485E-03 -0.18520E-04 829 0.973E-02 0.231E-02
DAV: 18 -0.904184092843E+02 -0.13468E-03 -0.43723E-05 720 0.335E-02 0.149E-02
DAV: 19 -0.904186650805E+02 -0.25580E-03 -0.64539E-05 633 0.416E-02 0.608E-03
DAV: 20 -0.904186919504E+02 -0.26870E-04 -0.61869E-06 480 0.166E-02 0.592E-03
DAV: 21 -0.904187267395E+02 -0.34789E-04 -0.79241E-06 436 0.177E-02 0.541E-03
DAV: 22 -0.904187499776E+02 -0.23238E-04 -0.38681E-06 458 0.109E-02 0.401E-03
DAV: 23 -0.904187527412E+02 -0.27636E-05 -0.35716E-06 528 0.110E-02
1 F= -.90418753E+02 E0= -.90423777E+02 d E =0.150729E-01