iterations/neb0_image01_iter60_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 0.208814943565E+04 0.20881E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141268023250E+03 -0.22294E+04 -0.21420E+04 2144 0.261E+02
DAV: 3 -0.461740856904E+03 -0.32047E+03 -0.31684E+03 1896 0.107E+02
DAV: 4 -0.475293060824E+03 -0.13552E+02 -0.13323E+02 1944 0.227E+01
DAV: 5 -0.475833193412E+03 -0.54013E+00 -0.53978E+00 2128 0.394E+00 0.435E+01
DAV: 6 -0.458785772056E+03 0.17047E+02 -0.24094E+02 2048 0.318E+01 0.411E+01
DAV: 7 -0.449954407484E+03 0.88314E+01 -0.41539E+01 1772 0.140E+01 0.199E+01
DAV: 8 -0.445450039386E+03 0.45044E+01 -0.82935E+00 1816 0.704E+00 0.114E+01
DAV: 9 -0.446651133948E+03 -0.12011E+01 -0.26411E+01 2116 0.799E+00 0.101E+01
DAV: 10 -0.446118054158E+03 0.53308E+00 -0.15025E+00 1832 0.226E+00 0.910E+00
DAV: 11 -0.444919949317E+03 0.11981E+01 -0.18108E+00 1968 0.244E+00 0.577E+00
DAV: 12 -0.444756034725E+03 0.16391E+00 -0.57426E+00 2008 0.258E+00 0.120E+01
DAV: 13 -0.444531895198E+03 0.22414E+00 -0.98236E+00 1968 0.225E+00 0.378E+00
DAV: 14 -0.444517922174E+03 0.13973E-01 -0.11671E-01 1864 0.720E-01 0.343E+00
DAV: 15 -0.444397436637E+03 0.12049E+00 -0.19868E-02 2024 0.489E-01 0.139E+00
DAV: 16 -0.444402794552E+03 -0.53579E-02 -0.12097E-02 1888 0.350E-01 0.770E-01
DAV: 17 -0.444416200692E+03 -0.13406E-01 -0.96608E-02 2096 0.353E-01 0.706E-01
DAV: 18 -0.444420015318E+03 -0.38146E-02 -0.41215E-03 1896 0.171E-01 0.314E-01
DAV: 19 -0.444420360074E+03 -0.34476E-03 -0.15021E-03 1864 0.844E-02 0.170E-01
DAV: 20 -0.444421490057E+03 -0.11300E-02 -0.49990E-04 1968 0.603E-02 0.726E-02
DAV: 21 -0.444422453864E+03 -0.96381E-03 -0.23862E-04 1848 0.384E-02 0.572E-02
DAV: 22 -0.444423558940E+03 -0.11051E-02 -0.19558E-04 1880 0.405E-02 0.168E-01
DAV: 23 -0.444423479512E+03 0.79428E-04 -0.20556E-04 1992 0.442E-02 0.287E-02
DAV: 24 -0.444423829927E+03 -0.35041E-03 -0.50707E-05 1672 0.159E-02 0.239E-02
DAV: 25 -0.444424299898E+03 -0.46997E-03 -0.10273E-04 1824 0.254E-02 0.437E-02
DAV: 26 -0.444424490537E+03 -0.19064E-03 -0.30296E-05 1496 0.166E-02 0.125E-02
DAV: 27 -0.444424591060E+03 -0.10052E-03 -0.26149E-05 1512 0.102E-02 0.752E-03
DAV: 28 -0.444424608456E+03 -0.17397E-04 -0.41556E-06 968 0.550E-03 0.533E-03
DAV: 29 -0.444424633731E+03 -0.25275E-04 -0.67683E-06 1096 0.710E-03 0.191E-02
DAV: 30 -0.444424642654E+03 -0.89229E-05 -0.18469E-06 992 0.366E-03
1 F= -.44442464E+03 E0= -.44441780E+03 d E =-.205275E-01