./iterations/neb0_image06_iter160_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 0.371080134776E+03 0.37108E+03 -0.14343E+04 640 0.799E+02
DAV: 2 0.361461602584E+01 -0.36747E+03 -0.35580E+03 877 0.193E+02
DAV: 3 -0.960647695012E+02 -0.99679E+02 -0.99349E+02 690 0.116E+02
DAV: 4 -0.100530583972E+03 -0.44658E+01 -0.44534E+01 704 0.276E+01
DAV: 5 -0.100617809313E+03 -0.87225E-01 -0.87179E-01 728 0.347E+00 0.226E+01
DAV: 6 -0.920073714797E+02 0.86104E+01 -0.30865E+01 711 0.305E+01 0.118E+01
DAV: 7 -0.911824425177E+02 0.82493E+00 -0.17360E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.908042718899E+02 0.37817E+00 -0.53230E-01 728 0.401E+00 0.170E+00
DAV: 9 -0.907115279674E+02 0.92744E-01 -0.13463E-01 720 0.161E+00 0.426E-01
DAV: 10 -0.907012524418E+02 0.10276E-01 -0.33673E-02 768 0.921E-01 0.277E-01
DAV: 11 -0.907049196180E+02 -0.36672E-02 -0.85357E-03 602 0.480E-01 0.139E-01
DAV: 12 -0.907077104934E+02 -0.27909E-02 -0.19824E-03 669 0.268E-01 0.821E-02
DAV: 13 -0.907117968990E+02 -0.40864E-02 -0.17958E-03 625 0.199E-01 0.715E-02
DAV: 14 -0.907155255442E+02 -0.37286E-02 -0.16951E-03 741 0.302E-01 0.568E-02
DAV: 15 -0.907168805230E+02 -0.13550E-02 -0.37051E-04 720 0.125E-01 0.452E-02
DAV: 16 -0.907183879289E+02 -0.15074E-02 -0.51807E-04 719 0.134E-01 0.219E-02
DAV: 17 -0.907191369772E+02 -0.74905E-03 -0.12012E-04 728 0.572E-02 0.147E-02
DAV: 18 -0.907194744292E+02 -0.33745E-03 -0.36948E-05 591 0.253E-02 0.109E-02
DAV: 19 -0.907196024531E+02 -0.12802E-03 -0.24884E-05 528 0.317E-02 0.374E-03
DAV: 20 -0.907196449070E+02 -0.42454E-04 -0.84953E-06 456 0.165E-02 0.390E-03
DAV: 21 -0.907196604950E+02 -0.15588E-04 -0.29667E-06 437 0.819E-03 0.361E-03
DAV: 22 -0.907196617396E+02 -0.12446E-05 -0.76374E-07 544 0.550E-03
1 F= -.90719662E+02 E0= -.90724670E+02 d E =0.150254E-01