iterations/neb0_image03_iter131_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 0.366036496194E+03 0.36604E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.205466427513E+01 -0.36398E+03 -0.35283E+03 861 0.195E+02
DAV: 3 -0.958620342387E+02 -0.97917E+02 -0.97604E+02 680 0.116E+02
DAV: 4 -0.100185699718E+03 -0.43237E+01 -0.43140E+01 696 0.275E+01
DAV: 5 -0.100271921587E+03 -0.86222E-01 -0.86186E-01 736 0.347E+00 0.222E+01
DAV: 6 -0.916924769721E+02 0.85794E+01 -0.30708E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908512421366E+02 0.84123E+00 -0.18210E+00 712 0.647E+00 0.483E+00
DAV: 8 -0.904488416575E+02 0.40240E+00 -0.56751E-01 704 0.444E+00 0.170E+00
DAV: 9 -0.903539341226E+02 0.94908E-01 -0.12990E-01 704 0.195E+00 0.482E-01
DAV: 10 -0.903442496308E+02 0.96845E-02 -0.39047E-02 720 0.978E-01 0.349E-01
DAV: 11 -0.903461871738E+02 -0.19375E-02 -0.78649E-03 696 0.663E-01 0.182E-01
DAV: 12 -0.903481673658E+02 -0.19802E-02 -0.39450E-03 629 0.401E-01 0.118E-01
DAV: 13 -0.903525062334E+02 -0.43389E-02 -0.31304E-03 618 0.278E-01 0.857E-02
DAV: 14 -0.903576176281E+02 -0.51114E-02 -0.13568E-03 647 0.177E-01 0.557E-02
DAV: 15 -0.903590711853E+02 -0.14536E-02 -0.23270E-04 864 0.102E-01 0.256E-02
DAV: 16 -0.903609109886E+02 -0.18398E-02 -0.19287E-04 653 0.687E-02 0.157E-02
DAV: 17 -0.903619298180E+02 -0.10188E-02 -0.72460E-05 624 0.378E-02 0.126E-02
DAV: 18 -0.903624636566E+02 -0.53384E-03 -0.87488E-05 648 0.474E-02 0.807E-03
DAV: 19 -0.903625155160E+02 -0.51859E-04 -0.89480E-06 544 0.245E-02 0.519E-03
DAV: 20 -0.903625910876E+02 -0.75572E-04 -0.21278E-05 490 0.278E-02 0.640E-03
DAV: 21 -0.903626435176E+02 -0.52430E-04 -0.78586E-06 442 0.207E-02 0.280E-03
DAV: 22 -0.903626577798E+02 -0.14262E-04 -0.56815E-06 496 0.123E-02 0.185E-03
DAV: 23 -0.903626614313E+02 -0.36515E-05 -0.17663E-06 469 0.705E-03
1 F= -.90362661E+02 E0= -.90371365E+02 d E =0.261109E-01