./iterations/neb0_image02_iter56_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 0.367902722428E+03 0.36790E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.462779498397E+01 -0.36327E+03 -0.34848E+03 834 0.195E+02
DAV: 3 -0.956761065032E+02 -0.10030E+03 -0.99968E+02 688 0.116E+02
DAV: 4 -0.100153949701E+03 -0.44778E+01 -0.44676E+01 696 0.279E+01
DAV: 5 -0.100241136347E+03 -0.87187E-01 -0.87144E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916456458081E+02 0.85955E+01 -0.30954E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908207498817E+02 0.82490E+00 -0.18169E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904321791245E+02 0.38857E+00 -0.56519E-01 704 0.430E+00 0.168E+00
DAV: 9 -0.903422452739E+02 0.89934E-01 -0.13982E-01 712 0.166E+00 0.436E-01
DAV: 10 -0.903356333399E+02 0.66119E-02 -0.45099E-02 720 0.126E+00 0.317E-01
DAV: 11 -0.903393307494E+02 -0.36974E-02 -0.71774E-03 608 0.470E-01 0.152E-01
DAV: 12 -0.903426122600E+02 -0.32815E-02 -0.64730E-03 629 0.459E-01 0.122E-01
DAV: 13 -0.903455574931E+02 -0.29452E-02 -0.10899E-03 784 0.294E-01 0.813E-02
DAV: 14 -0.903486535327E+02 -0.30960E-02 -0.17573E-03 637 0.204E-01 0.601E-02
DAV: 15 -0.903511822181E+02 -0.25287E-02 -0.60655E-04 773 0.171E-01 0.381E-02
DAV: 16 -0.903521871076E+02 -0.10049E-02 -0.37356E-04 672 0.100E-01 0.332E-02
DAV: 17 -0.903531690412E+02 -0.98193E-03 -0.15854E-04 649 0.745E-02 0.208E-02
DAV: 18 -0.903534181366E+02 -0.24910E-03 -0.94629E-05 680 0.542E-02 0.127E-02
DAV: 19 -0.903536195230E+02 -0.20139E-03 -0.24591E-05 503 0.334E-02 0.433E-03
DAV: 20 -0.903536888056E+02 -0.69283E-04 -0.11483E-05 472 0.164E-02 0.332E-03
DAV: 21 -0.903537214233E+02 -0.32618E-04 -0.55924E-06 439 0.165E-02 0.497E-03
DAV: 22 -0.903537408011E+02 -0.19378E-04 -0.40969E-06 445 0.109E-02 0.447E-03
DAV: 23 -0.903537424869E+02 -0.16857E-05 -0.17483E-06 496 0.991E-03
1 F= -.90353742E+02 E0= -.90359305E+02 d E =0.166879E-01