iterations/neb0_image07_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 0.370523602809E+03 0.37052E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.323588948724E+01 -0.36729E+03 -0.35470E+03 869 0.194E+02
DAV: 3 -0.962656831247E+02 -0.99502E+02 -0.99178E+02 677 0.116E+02
DAV: 4 -0.100931864543E+03 -0.46662E+01 -0.46549E+01 688 0.287E+01
DAV: 5 -0.101029827388E+03 -0.97963E-01 -0.97889E-01 736 0.368E+00 0.225E+01
DAV: 6 -0.925001135886E+02 0.85297E+01 -0.30456E+01 736 0.298E+01 0.118E+01
DAV: 7 -0.916703746229E+02 0.82974E+00 -0.17228E+00 712 0.618E+00 0.477E+00
DAV: 8 -0.913037001254E+02 0.36667E+00 -0.52496E-01 728 0.395E+00 0.164E+00
DAV: 9 -0.912221448063E+02 0.81555E-01 -0.12950E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912137354206E+02 0.84094E-02 -0.39965E-02 768 0.105E+00 0.289E-01
DAV: 11 -0.912180353163E+02 -0.42999E-02 -0.11371E-02 608 0.566E-01 0.142E-01
DAV: 12 -0.912204886750E+02 -0.24534E-02 -0.22918E-03 642 0.258E-01 0.891E-02
DAV: 13 -0.912244921431E+02 -0.40035E-02 -0.16265E-03 631 0.206E-01 0.528E-02
DAV: 14 -0.912268156464E+02 -0.23235E-02 -0.38780E-04 880 0.153E-01 0.306E-02
DAV: 15 -0.912290505927E+02 -0.22349E-02 -0.34083E-04 655 0.900E-02 0.288E-02
DAV: 16 -0.912302336585E+02 -0.11831E-02 -0.10703E-04 688 0.501E-02 0.128E-02
DAV: 17 -0.912310357037E+02 -0.80205E-03 -0.12361E-04 669 0.520E-02 0.132E-02
DAV: 18 -0.912312319939E+02 -0.19629E-03 -0.25154E-05 576 0.297E-02 0.608E-03
DAV: 19 -0.912313171806E+02 -0.85187E-04 -0.20743E-05 495 0.262E-02 0.616E-03
DAV: 20 -0.912313386604E+02 -0.21480E-04 -0.53130E-06 496 0.158E-02 0.453E-03
DAV: 21 -0.912313559673E+02 -0.17307E-04 -0.77328E-06 409 0.189E-02 0.266E-03
DAV: 22 -0.912313637677E+02 -0.78004E-05 -0.24604E-06 461 0.112E-02
1 F= -.91231364E+02 E0= -.91236652E+02 d E =0.158650E-01