iterations/neb0_image03_iter188_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 0.364112815103E+03 0.36411E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.411111436538E-01 -0.36407E+03 -0.35404E+03 858 0.195E+02
DAV: 3 -0.960772166294E+02 -0.96118E+02 -0.95811E+02 666 0.115E+02
DAV: 4 -0.100264250121E+03 -0.41870E+01 -0.41753E+01 720 0.273E+01
DAV: 5 -0.100346462279E+03 -0.82212E-01 -0.82176E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917180574009E+02 0.86284E+01 -0.30951E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908780408857E+02 0.84002E+00 -0.18344E+00 704 0.641E+00 0.483E+00
DAV: 8 -0.904854436218E+02 0.39260E+00 -0.54746E-01 696 0.423E+00 0.172E+00
DAV: 9 -0.903874177368E+02 0.98026E-01 -0.11957E-01 712 0.220E+00 0.466E-01
DAV: 10 -0.903798397215E+02 0.75780E-02 -0.50639E-02 712 0.122E+00 0.372E-01
DAV: 11 -0.903819756405E+02 -0.21359E-02 -0.13005E-02 624 0.820E-01 0.163E-01
DAV: 12 -0.903844384941E+02 -0.24629E-02 -0.70081E-03 616 0.451E-01 0.147E-01
DAV: 13 -0.903880460293E+02 -0.36075E-02 -0.41341E-03 701 0.432E-01 0.814E-02
DAV: 14 -0.903920983439E+02 -0.40523E-02 -0.15489E-03 669 0.237E-01 0.718E-02
DAV: 15 -0.903941234128E+02 -0.20251E-02 -0.40060E-04 688 0.117E-01 0.345E-02
DAV: 16 -0.903963534462E+02 -0.22300E-02 -0.53429E-04 682 0.127E-01 0.303E-02
DAV: 17 -0.903968670726E+02 -0.51363E-03 -0.83076E-05 776 0.822E-02 0.168E-02
DAV: 18 -0.903975036048E+02 -0.63653E-03 -0.12191E-04 655 0.692E-02 0.120E-02
DAV: 19 -0.903980736980E+02 -0.57009E-03 -0.78853E-05 607 0.412E-02 0.641E-03
DAV: 20 -0.903981668640E+02 -0.93166E-04 -0.75336E-06 528 0.201E-02 0.507E-03
DAV: 21 -0.903982448290E+02 -0.77965E-04 -0.20970E-05 473 0.322E-02 0.427E-03
DAV: 22 -0.903982660120E+02 -0.21183E-04 -0.54418E-06 496 0.146E-02 0.406E-03
DAV: 23 -0.903982787748E+02 -0.12763E-04 -0.52169E-06 407 0.144E-02 0.295E-03
DAV: 24 -0.903982835366E+02 -0.47618E-05 -0.21092E-06 472 0.135E-02
1 F= -.90398284E+02 E0= -.90405413E+02 d E =0.213897E-01