iterations/neb0_image01_iter225_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 0.365438614655E+03 0.36544E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.323633737659E+01 -0.36220E+03 -0.34915E+03 839 0.196E+02
DAV: 3 -0.954161835935E+02 -0.98653E+02 -0.98307E+02 645 0.116E+02
DAV: 4 -0.100217987803E+03 -0.48018E+01 -0.47901E+01 704 0.297E+01
DAV: 5 -0.100313801554E+03 -0.95814E-01 -0.95764E-01 720 0.376E+00 0.222E+01
DAV: 6 -0.916918773884E+02 0.86219E+01 -0.30950E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908888937447E+02 0.80298E+00 -0.18281E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905130862693E+02 0.37581E+00 -0.55222E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904301976209E+02 0.82889E-01 -0.13354E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904256026309E+02 0.45950E-02 -0.46646E-02 720 0.124E+00 0.320E-01
DAV: 11 -0.904295693317E+02 -0.39667E-02 -0.72243E-03 608 0.535E-01 0.126E-01
DAV: 12 -0.904331317293E+02 -0.35624E-02 -0.69436E-03 629 0.472E-01 0.135E-01
DAV: 13 -0.904355233110E+02 -0.23916E-02 -0.17276E-03 861 0.319E-01 0.744E-02
DAV: 14 -0.904386300325E+02 -0.31067E-02 -0.14079E-03 642 0.185E-01 0.657E-02
DAV: 15 -0.904403749194E+02 -0.17449E-02 -0.32484E-04 680 0.110E-01 0.532E-02
DAV: 16 -0.904417778504E+02 -0.14029E-02 -0.10096E-03 669 0.194E-01 0.368E-02
DAV: 17 -0.904425561946E+02 -0.77834E-03 -0.13240E-04 672 0.774E-02 0.324E-02
DAV: 18 -0.904428731851E+02 -0.31699E-03 -0.10684E-04 664 0.541E-02 0.139E-02
DAV: 19 -0.904430247689E+02 -0.15158E-03 -0.57932E-05 661 0.400E-02 0.844E-03
DAV: 20 -0.904430593711E+02 -0.34602E-04 -0.42064E-06 488 0.152E-02 0.941E-03
DAV: 21 -0.904430973710E+02 -0.38000E-04 -0.75732E-06 412 0.170E-02 0.566E-03
DAV: 22 -0.904431047184E+02 -0.73473E-05 -0.68746E-06 480 0.157E-02
1 F= -.90443105E+02 E0= -.90448522E+02 d E =0.162519E-01