iterations/neb0_image02_iter22_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 0.366245788668E+03 0.36625E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.414379076529E+01 -0.36210E+03 -0.34769E+03 839 0.195E+02
DAV: 3 -0.953818178369E+02 -0.99526E+02 -0.99181E+02 688 0.116E+02
DAV: 4 -0.998949192081E+02 -0.45131E+01 -0.45022E+01 712 0.281E+01
DAV: 5 -0.999829682697E+02 -0.88049E-01 -0.88003E-01 728 0.351E+00 0.222E+01
DAV: 6 -0.914010664118E+02 0.85819E+01 -0.30750E+01 704 0.298E+01 0.116E+01
DAV: 7 -0.905815753765E+02 0.81949E+00 -0.18043E+00 712 0.639E+00 0.482E+00
DAV: 8 -0.901957692255E+02 0.38581E+00 -0.58316E-01 728 0.442E+00 0.168E+00
DAV: 9 -0.901081285121E+02 0.87641E-01 -0.14118E-01 712 0.168E+00 0.443E-01
DAV: 10 -0.901010722110E+02 0.70563E-02 -0.37785E-02 720 0.119E+00 0.303E-01
DAV: 11 -0.901046587144E+02 -0.35865E-02 -0.66290E-03 608 0.438E-01 0.164E-01
DAV: 12 -0.901076464704E+02 -0.29878E-02 -0.53372E-03 624 0.450E-01 0.110E-01
DAV: 13 -0.901108238513E+02 -0.31774E-02 -0.82675E-04 645 0.243E-01 0.785E-02
DAV: 14 -0.901139062230E+02 -0.30824E-02 -0.17006E-03 648 0.202E-01 0.526E-02
DAV: 15 -0.901162284867E+02 -0.23223E-02 -0.50072E-04 909 0.169E-01 0.277E-02
DAV: 16 -0.901174646890E+02 -0.12362E-02 -0.19064E-04 680 0.700E-02 0.219E-02
DAV: 17 -0.901184524530E+02 -0.98776E-03 -0.12847E-04 645 0.500E-02 0.153E-02
DAV: 18 -0.901187475974E+02 -0.29514E-03 -0.94507E-05 672 0.580E-02 0.109E-02
DAV: 19 -0.901188878810E+02 -0.14028E-03 -0.16642E-05 472 0.216E-02 0.105E-02
DAV: 20 -0.901189244344E+02 -0.36553E-04 -0.91632E-06 504 0.193E-02 0.526E-03
DAV: 21 -0.901189599110E+02 -0.35477E-04 -0.97228E-06 437 0.176E-02 0.193E-03
DAV: 22 -0.901189693447E+02 -0.94337E-05 -0.30666E-06 488 0.868E-03
1 F= -.90118969E+02 E0= -.90126321E+02 d E =0.220549E-01