iterations/neb0_image09_iter48_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209699300245E+04 0.20970E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142919474230E+03 -0.22399E+04 -0.21499E+04 2160 0.262E+02
DAV: 3 -0.466234807679E+03 -0.32332E+03 -0.31992E+03 1832 0.108E+02
DAV: 4 -0.479206751093E+03 -0.12972E+02 -0.12921E+02 1968 0.229E+01
DAV: 5 -0.479673496317E+03 -0.46675E+00 -0.46648E+00 2080 0.381E+00 0.427E+01
DAV: 6 -0.447152771062E+03 0.32521E+02 -0.14254E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.449074368804E+03 -0.19216E+01 -0.74988E+01 1920 0.111E+01 0.137E+01
DAV: 8 -0.446255307813E+03 0.28191E+01 -0.81399E+00 2416 0.800E+00 0.857E+00
DAV: 9 -0.446812188846E+03 -0.55688E+00 -0.14619E+01 1888 0.392E+00 0.482E+00
DAV: 10 -0.446008603249E+03 0.80359E+00 -0.60474E-01 2096 0.389E+00 0.335E+00
DAV: 11 -0.446125418016E+03 -0.11681E+00 -0.24894E+00 1904 0.167E+00 0.412E+00
DAV: 12 -0.446014397530E+03 0.11102E+00 -0.20862E+00 2016 0.129E+00 0.310E+00
DAV: 13 -0.446051476483E+03 -0.37079E-01 -0.16277E+00 2152 0.962E-01 0.354E+00
DAV: 14 -0.445961835744E+03 0.89641E-01 -0.35257E-01 1992 0.653E-01 0.324E-01
DAV: 15 -0.445971418306E+03 -0.95826E-02 -0.20098E-02 2000 0.267E-01 0.503E-01
DAV: 16 -0.445971970300E+03 -0.55199E-03 -0.70125E-03 1848 0.155E-01 0.203E-01
DAV: 17 -0.445973902262E+03 -0.19320E-02 -0.27221E-03 1896 0.102E-01 0.171E-01
DAV: 18 -0.445976889654E+03 -0.29874E-02 -0.42287E-03 1976 0.790E-02 0.342E-01
DAV: 19 -0.445978991681E+03 -0.21020E-02 -0.60729E-03 2192 0.118E-01 0.333E-01
DAV: 20 -0.445980328506E+03 -0.13368E-02 -0.87492E-04 1824 0.543E-02 0.118E-01
DAV: 21 -0.445981343588E+03 -0.10151E-02 -0.52772E-04 1880 0.501E-02 0.271E-02
DAV: 22 -0.445981875537E+03 -0.53195E-03 -0.20832E-04 1888 0.314E-02 0.757E-02
DAV: 23 -0.445982072447E+03 -0.19691E-03 -0.37283E-05 1472 0.150E-02 0.509E-02
DAV: 24 -0.445982213463E+03 -0.14102E-03 -0.57926E-05 1624 0.165E-02 0.796E-03
DAV: 25 -0.445982360046E+03 -0.14658E-03 -0.11382E-05 1192 0.832E-03 0.111E-02
DAV: 26 -0.445982460091E+03 -0.10005E-03 -0.99395E-06 1160 0.549E-03 0.675E-03
DAV: 27 -0.445982484811E+03 -0.24720E-04 -0.24815E-06 936 0.397E-03 0.723E-03
DAV: 28 -0.445982516166E+03 -0.31355E-04 -0.45724E-06 1040 0.517E-03 0.478E-03
DAV: 29 -0.445982524572E+03 -0.84060E-05 -0.10715E-06 936 0.302E-03
1 F= -.44598252E+03 E0= -.44595641E+03 d E =-.783362E-01