iterations/neb0_image03_iter90_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 0.367151315520E+03 0.36715E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.324127153043E+01 -0.36391E+03 -0.35061E+03 845 0.195E+02
DAV: 3 -0.955661289858E+02 -0.98807E+02 -0.98489E+02 661 0.116E+02
DAV: 4 -0.100141612570E+03 -0.45755E+01 -0.45659E+01 712 0.288E+01
DAV: 5 -0.100230961835E+03 -0.89349E-01 -0.89313E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916485228517E+02 0.85824E+01 -0.30668E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.908057731603E+02 0.84275E+00 -0.18262E+00 704 0.638E+00 0.482E+00
DAV: 8 -0.904032074200E+02 0.40257E+00 -0.56462E-01 688 0.429E+00 0.166E+00
DAV: 9 -0.903079563784E+02 0.95251E-01 -0.13564E-01 688 0.176E+00 0.442E-01
DAV: 10 -0.902999255821E+02 0.80308E-02 -0.43468E-02 728 0.110E+00 0.332E-01
DAV: 11 -0.903032951535E+02 -0.33696E-02 -0.70101E-03 672 0.569E-01 0.114E-01
DAV: 12 -0.903055494938E+02 -0.22543E-02 -0.37458E-03 623 0.285E-01 0.112E-01
DAV: 13 -0.903105587559E+02 -0.50093E-02 -0.23493E-03 733 0.343E-01 0.827E-02
DAV: 14 -0.903134090250E+02 -0.28503E-02 -0.68179E-04 672 0.144E-01 0.518E-02
DAV: 15 -0.903161991414E+02 -0.27901E-02 -0.84858E-04 661 0.175E-01 0.342E-02
DAV: 16 -0.903174166998E+02 -0.12176E-02 -0.15137E-04 752 0.852E-02 0.145E-02
DAV: 17 -0.903183385615E+02 -0.92186E-03 -0.15684E-04 658 0.549E-02 0.107E-02
DAV: 18 -0.903185735735E+02 -0.23501E-03 -0.16352E-05 496 0.279E-02 0.533E-03
DAV: 19 -0.903187237311E+02 -0.15016E-03 -0.35331E-05 575 0.292E-02 0.725E-03
DAV: 20 -0.903187251556E+02 -0.14245E-05 -0.23506E-06 544 0.934E-03
1 F= -.90318725E+02 E0= -.90327109E+02 d E =0.251509E-01