./iterations/neb0_image01_iter162_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 0.365989218786E+03 0.36599E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.319745821295E+01 -0.36279E+03 -0.34989E+03 839 0.196E+02
DAV: 3 -0.955153172395E+02 -0.98713E+02 -0.98364E+02 658 0.116E+02
DAV: 4 -0.100230416345E+03 -0.47151E+01 -0.47034E+01 696 0.291E+01
DAV: 5 -0.100325748362E+03 -0.95332E-01 -0.95282E-01 728 0.368E+00 0.223E+01
DAV: 6 -0.916856870045E+02 0.86401E+01 -0.30918E+01 696 0.298E+01 0.117E+01
DAV: 7 -0.908768933263E+02 0.80879E+00 -0.18335E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905019104887E+02 0.37498E+00 -0.55242E-01 704 0.429E+00 0.166E+00
DAV: 9 -0.904207387966E+02 0.81172E-01 -0.12734E-01 720 0.173E+00 0.426E-01
DAV: 10 -0.904163107571E+02 0.44280E-02 -0.47471E-02 712 0.123E+00 0.330E-01
DAV: 11 -0.904206666467E+02 -0.43559E-02 -0.93358E-03 608 0.691E-01 0.115E-01
DAV: 12 -0.904235144408E+02 -0.28478E-02 -0.60629E-03 624 0.398E-01 0.128E-01
DAV: 13 -0.904262526624E+02 -0.27382E-02 -0.14814E-03 850 0.294E-01 0.812E-02
DAV: 14 -0.904297394124E+02 -0.34867E-02 -0.18209E-03 639 0.224E-01 0.784E-02
DAV: 15 -0.904310820108E+02 -0.13426E-02 -0.31811E-04 824 0.142E-01 0.491E-02
DAV: 16 -0.904324744286E+02 -0.13924E-02 -0.89003E-04 669 0.189E-01 0.373E-02
DAV: 17 -0.904332340759E+02 -0.75965E-03 -0.18092E-04 725 0.939E-02 0.311E-02
DAV: 18 -0.904333651450E+02 -0.13107E-03 -0.32354E-05 728 0.312E-02 0.239E-02
DAV: 19 -0.904336851456E+02 -0.32000E-03 -0.65265E-05 644 0.455E-02 0.133E-02
DAV: 20 -0.904338011647E+02 -0.11602E-03 -0.22564E-05 533 0.309E-02 0.635E-03
DAV: 21 -0.904338361691E+02 -0.35004E-04 -0.13839E-05 504 0.213E-02 0.580E-03
DAV: 22 -0.904338746299E+02 -0.38461E-04 -0.52398E-06 404 0.120E-02 0.374E-03
DAV: 23 -0.904338903108E+02 -0.15681E-04 -0.46098E-06 477 0.116E-02 0.271E-03
DAV: 24 -0.904338917209E+02 -0.14100E-05 -0.10616E-06 536 0.609E-03
1 F= -.90433892E+02 E0= -.90441193E+02 d E =0.219024E-01