iterations/neb0_image04_iter32_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 0.370591109124E+03 0.37059E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.508533678866E+01 -0.36551E+03 -0.35365E+03 861 0.195E+02
DAV: 3 -0.947868245956E+02 -0.99872E+02 -0.99520E+02 664 0.116E+02
DAV: 4 -0.993687480046E+02 -0.45819E+01 -0.45711E+01 728 0.292E+01
DAV: 5 -0.994559091910E+02 -0.87161E-01 -0.87133E-01 736 0.366E+00 0.222E+01
DAV: 6 -0.908733698483E+02 0.85825E+01 -0.30144E+01 677 0.296E+01 0.116E+01
DAV: 7 -0.900144646619E+02 0.85891E+00 -0.17423E+00 720 0.630E+00 0.479E+00
DAV: 8 -0.896138677297E+02 0.40060E+00 -0.58443E-01 712 0.438E+00 0.166E+00
DAV: 9 -0.895210025027E+02 0.92865E-01 -0.13851E-01 728 0.173E+00 0.444E-01
DAV: 10 -0.895114881586E+02 0.95143E-02 -0.42278E-02 728 0.109E+00 0.323E-01
DAV: 11 -0.895155933106E+02 -0.41052E-02 -0.12851E-02 599 0.661E-01 0.155E-01
DAV: 12 -0.895167686085E+02 -0.11753E-02 -0.28699E-03 661 0.308E-01 0.126E-01
DAV: 13 -0.895219305779E+02 -0.51620E-02 -0.65400E-03 713 0.552E-01 0.120E-01
DAV: 14 -0.895236093428E+02 -0.16788E-02 -0.12767E-03 709 0.232E-01 0.795E-02
DAV: 15 -0.895256619614E+02 -0.20526E-02 -0.12888E-03 658 0.199E-01 0.280E-02
DAV: 16 -0.895275886415E+02 -0.19267E-02 -0.24183E-04 663 0.751E-02 0.341E-02
DAV: 17 -0.895286440369E+02 -0.10554E-02 -0.86384E-05 621 0.510E-02 0.259E-02
DAV: 18 -0.895291288533E+02 -0.48482E-03 -0.20696E-04 669 0.836E-02 0.140E-02
DAV: 19 -0.895292007813E+02 -0.71928E-04 -0.22372E-05 624 0.354E-02 0.780E-03
DAV: 20 -0.895293161026E+02 -0.11532E-03 -0.19530E-05 425 0.224E-02 0.613E-03
DAV: 21 -0.895293629818E+02 -0.46879E-04 -0.63603E-06 469 0.178E-02 0.438E-03
DAV: 22 -0.895293875732E+02 -0.24591E-04 -0.82865E-06 423 0.156E-02 0.399E-03
DAV: 23 -0.895293939332E+02 -0.63600E-05 -0.29950E-06 496 0.149E-02
1 F= -.89529394E+02 E0= -.89534370E+02 d E =0.149269E-01