./iterations/neb0_image02_iter26_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.805408288491E+03 0.80541E+03 -0.25765E+04 896 0.101E+03
DAV: 2 0.108351071525E+03 -0.69706E+03 -0.68024E+03 1160 0.281E+02
DAV: 3 -0.595446687263E+02 -0.16790E+03 -0.16745E+03 848 0.153E+02
DAV: 4 -0.647212180727E+02 -0.51765E+01 -0.51630E+01 899 0.293E+01
DAV: 5 -0.647777320155E+02 -0.56514E-01 -0.56411E-01 844 0.318E+00 0.204E+01
DAV: 6 -0.596170206792E+02 0.51607E+01 -0.17722E+01 832 0.233E+01 0.106E+01
DAV: 7 -0.593586970449E+02 0.25832E+00 -0.13169E+00 880 0.625E+00 0.424E+00
DAV: 8 -0.593375889144E+02 0.21108E-01 -0.18097E-01 864 0.272E+00 0.119E+00
DAV: 9 -0.593421735131E+02 -0.45846E-02 -0.23522E-02 880 0.145E+00 0.345E-01
DAV: 10 -0.593440655204E+02 -0.18920E-02 -0.62017E-03 865 0.484E-01 0.174E-01
DAV: 11 -0.593454963139E+02 -0.14308E-02 -0.13610E-03 833 0.293E-01 0.625E-02
DAV: 12 -0.593469208100E+02 -0.14245E-02 -0.30264E-04 839 0.166E-01 0.291E-02
DAV: 13 -0.593485693408E+02 -0.16485E-02 -0.27366E-04 829 0.137E-01 0.242E-02
DAV: 14 -0.593493959386E+02 -0.82660E-03 -0.13273E-04 785 0.775E-02 0.155E-02
DAV: 15 -0.593499223309E+02 -0.52639E-03 -0.37423E-05 716 0.371E-02 0.796E-03
DAV: 16 -0.593501839691E+02 -0.26164E-03 -0.23677E-05 665 0.258E-02 0.570E-03
DAV: 17 -0.593503766642E+02 -0.19270E-03 -0.14188E-05 669 0.169E-02 0.263E-03
DAV: 18 -0.593504587700E+02 -0.82106E-04 -0.38413E-06 588 0.870E-03 0.171E-03
DAV: 19 -0.593505038429E+02 -0.45073E-04 -0.30823E-06 534 0.739E-03 0.118E-03
DAV: 20 -0.593505123417E+02 -0.84989E-05 -0.51300E-07 480 0.321E-03
1 F= -.59350512E+02 E0= -.59354378E+02 d E =0.115963E-01