./iterations/neb0_image07_iter43_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 0.375235065033E+03 0.37524E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.389167206581E+01 -0.37134E+03 -0.35830E+03 861 0.195E+02
DAV: 3 -0.962847599703E+02 -0.10018E+03 -0.99839E+02 664 0.117E+02
DAV: 4 -0.100739314917E+03 -0.44546E+01 -0.44434E+01 712 0.286E+01
DAV: 5 -0.100826830770E+03 -0.87516E-01 -0.87485E-01 728 0.360E+00 0.228E+01
DAV: 6 -0.921795032703E+02 0.86473E+01 -0.30539E+01 685 0.303E+01 0.119E+01
DAV: 7 -0.913038908360E+02 0.87561E+00 -0.16891E+00 720 0.619E+00 0.482E+00
DAV: 8 -0.909219334107E+02 0.38196E+00 -0.55704E-01 696 0.410E+00 0.164E+00
DAV: 9 -0.908365834082E+02 0.85350E-01 -0.13132E-01 704 0.159E+00 0.433E-01
DAV: 10 -0.908268185538E+02 0.97649E-02 -0.43410E-02 744 0.107E+00 0.303E-01
DAV: 11 -0.908319376105E+02 -0.51191E-02 -0.14787E-02 613 0.692E-01 0.182E-01
DAV: 12 -0.908334305493E+02 -0.14929E-02 -0.22305E-03 666 0.248E-01 0.132E-01
DAV: 13 -0.908379979698E+02 -0.45674E-02 -0.46630E-03 622 0.411E-01 0.800E-02
DAV: 14 -0.908395203416E+02 -0.15224E-02 -0.63863E-04 704 0.175E-01 0.512E-02
DAV: 15 -0.908428474062E+02 -0.33271E-02 -0.88308E-04 668 0.175E-01 0.330E-02
DAV: 16 -0.908439133586E+02 -0.10660E-02 -0.11964E-04 685 0.660E-02 0.257E-02
DAV: 17 -0.908447157649E+02 -0.80241E-03 -0.13755E-04 714 0.715E-02 0.103E-02
DAV: 18 -0.908452509547E+02 -0.53519E-03 -0.61584E-05 666 0.321E-02 0.107E-02
DAV: 19 -0.908453499246E+02 -0.98970E-04 -0.50960E-06 504 0.124E-02 0.766E-03
DAV: 20 -0.908454278551E+02 -0.77930E-04 -0.22805E-05 459 0.265E-02 0.480E-03
DAV: 21 -0.908454319710E+02 -0.41159E-05 -0.28085E-06 536 0.998E-03
1 F= -.90845432E+02 E0= -.90851643E+02 d E =0.186331E-01