iterations/neb0_image01_iter122_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 0.366530543427E+03 0.36653E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.337490308632E+01 -0.36316E+03 -0.34990E+03 839 0.195E+02
DAV: 3 -0.956664754314E+02 -0.99041E+02 -0.98697E+02 669 0.116E+02
DAV: 4 -0.100220901076E+03 -0.45544E+01 -0.45447E+01 693 0.286E+01
DAV: 5 -0.100311549416E+03 -0.90648E-01 -0.90597E-01 744 0.361E+00 0.222E+01
DAV: 6 -0.916846414818E+02 0.86269E+01 -0.31107E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908736702922E+02 0.81097E+00 -0.18242E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904944257966E+02 0.37924E+00 -0.55641E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904105707469E+02 0.83855E-01 -0.13561E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.904054750878E+02 0.50957E-02 -0.45728E-02 728 0.124E+00 0.316E-01
DAV: 11 -0.904093789738E+02 -0.39039E-02 -0.67027E-03 608 0.490E-01 0.137E-01
DAV: 12 -0.904129577995E+02 -0.35788E-02 -0.69229E-03 626 0.480E-01 0.129E-01
DAV: 13 -0.904155817304E+02 -0.26239E-02 -0.14988E-03 848 0.312E-01 0.745E-02
DAV: 14 -0.904185631711E+02 -0.29814E-02 -0.13770E-03 642 0.176E-01 0.594E-02
DAV: 15 -0.904205374053E+02 -0.19742E-02 -0.36529E-04 680 0.116E-01 0.462E-02
DAV: 16 -0.904219280987E+02 -0.13907E-02 -0.84271E-04 653 0.171E-01 0.376E-02
DAV: 17 -0.904227044739E+02 -0.77638E-03 -0.16713E-04 797 0.940E-02 0.233E-02
DAV: 18 -0.904228785709E+02 -0.17410E-03 -0.54783E-05 688 0.365E-02 0.132E-02
DAV: 19 -0.904231045087E+02 -0.22594E-03 -0.58483E-05 633 0.387E-02 0.607E-03
DAV: 20 -0.904231273364E+02 -0.22828E-04 -0.51685E-06 480 0.154E-02 0.646E-03
DAV: 21 -0.904231617053E+02 -0.34369E-04 -0.67890E-06 409 0.159E-02 0.543E-03
DAV: 22 -0.904231817097E+02 -0.20004E-04 -0.37597E-06 469 0.130E-02 0.323E-03
DAV: 23 -0.904231839519E+02 -0.22423E-05 -0.50625E-06 528 0.126E-02
1 F= -.90423184E+02 E0= -.90428396E+02 d E =0.156351E-01