iterations/neb0_image04_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 0.368789250158E+03 0.36879E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.172148612840E+01 -0.36707E+03 -0.35549E+03 869 0.195E+02
DAV: 3 -0.960499558930E+02 -0.97771E+02 -0.97480E+02 661 0.116E+02
DAV: 4 -0.100323292774E+03 -0.42733E+01 -0.42645E+01 704 0.279E+01
DAV: 5 -0.100406429467E+03 -0.83137E-01 -0.83102E-01 736 0.348E+00 0.224E+01
DAV: 6 -0.916820406015E+02 0.87244E+01 -0.31165E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908134600069E+02 0.86858E+00 -0.17823E+00 712 0.646E+00 0.484E+00
DAV: 8 -0.904006568204E+02 0.41280E+00 -0.55020E-01 696 0.448E+00 0.175E+00
DAV: 9 -0.903093592310E+02 0.91298E-01 -0.14905E-01 728 0.205E+00 0.551E-01
DAV: 10 -0.902958666404E+02 0.13493E-01 -0.35907E-02 696 0.993E-01 0.346E-01
DAV: 11 -0.902975885122E+02 -0.17219E-02 -0.11581E-02 717 0.557E-01 0.228E-01
DAV: 12 -0.903004471280E+02 -0.28586E-02 -0.29436E-03 677 0.475E-01 0.141E-01
DAV: 13 -0.903035899473E+02 -0.31428E-02 -0.23286E-03 628 0.340E-01 0.103E-01
DAV: 14 -0.903080939024E+02 -0.45040E-02 -0.27544E-03 614 0.300E-01 0.579E-02
DAV: 15 -0.903095615086E+02 -0.14676E-02 -0.36675E-04 688 0.103E-01 0.507E-02
DAV: 16 -0.903120296014E+02 -0.24681E-02 -0.93931E-04 719 0.213E-01 0.398E-02
DAV: 17 -0.903129394157E+02 -0.90981E-03 -0.18184E-04 680 0.797E-02 0.381E-02
DAV: 18 -0.903136016440E+02 -0.66223E-03 -0.15798E-04 719 0.722E-02 0.213E-02
DAV: 19 -0.903139251223E+02 -0.32348E-03 -0.93995E-05 720 0.602E-02 0.108E-02
DAV: 20 -0.903141291834E+02 -0.20406E-03 -0.22350E-05 511 0.242E-02 0.890E-03
DAV: 21 -0.903142074208E+02 -0.78237E-04 -0.90362E-06 464 0.148E-02 0.513E-03
DAV: 22 -0.903142665106E+02 -0.59090E-04 -0.14242E-05 452 0.192E-02 0.217E-03
DAV: 23 -0.903142728375E+02 -0.63270E-05 -0.20139E-06 520 0.736E-03
1 F= -.90314273E+02 E0= -.90322598E+02 d E =0.249744E-01