./iterations/neb0_image02_iter126_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 0.364734405218E+03 0.36473E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.395612997597E+01 -0.36078E+03 -0.34629E+03 834 0.195E+02
DAV: 3 -0.955911256414E+02 -0.99547E+02 -0.99214E+02 672 0.116E+02
DAV: 4 -0.100210604594E+03 -0.46195E+01 -0.46084E+01 712 0.286E+01
DAV: 5 -0.100299669529E+03 -0.89065E-01 -0.89025E-01 736 0.357E+00 0.222E+01
DAV: 6 -0.916750434382E+02 0.86246E+01 -0.30933E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908558447739E+02 0.81920E+00 -0.18453E+00 704 0.636E+00 0.483E+00
DAV: 8 -0.904719970254E+02 0.38385E+00 -0.55628E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903827980635E+02 0.89199E-01 -0.13970E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903767006900E+02 0.60974E-02 -0.47941E-02 704 0.130E+00 0.324E-01
DAV: 11 -0.903802308892E+02 -0.35302E-02 -0.70961E-03 608 0.492E-01 0.153E-01
DAV: 12 -0.903836125923E+02 -0.33817E-02 -0.78115E-03 624 0.495E-01 0.134E-01
DAV: 13 -0.903863860471E+02 -0.27735E-02 -0.16624E-03 968 0.341E-01 0.812E-02
DAV: 14 -0.903893912883E+02 -0.30052E-02 -0.13366E-03 640 0.172E-01 0.583E-02
DAV: 15 -0.903916755144E+02 -0.22842E-02 -0.39843E-04 669 0.109E-01 0.438E-02
DAV: 16 -0.903931261119E+02 -0.14506E-02 -0.63513E-04 664 0.143E-01 0.310E-02
DAV: 17 -0.903939859115E+02 -0.85980E-03 -0.14066E-04 661 0.793E-02 0.217E-02
DAV: 18 -0.903941718430E+02 -0.18593E-03 -0.59303E-05 696 0.387E-02 0.979E-03
DAV: 19 -0.903943403243E+02 -0.16848E-03 -0.24845E-05 474 0.262E-02 0.280E-03
DAV: 20 -0.903943958172E+02 -0.55493E-04 -0.64953E-06 469 0.126E-02 0.441E-03
DAV: 21 -0.903944264484E+02 -0.30631E-04 -0.47514E-06 445 0.135E-02 0.477E-03
DAV: 22 -0.903944473186E+02 -0.20870E-04 -0.49289E-06 463 0.122E-02 0.318E-03
DAV: 23 -0.903944492652E+02 -0.19466E-05 -0.30615E-06 528 0.107E-02
1 F= -.90394449E+02 E0= -.90400340E+02 d E =0.176728E-01