iterations/neb0_image01_iter9_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 0.208729779278E+04 0.20873E+04 -0.11605E+05 1704 0.105E+03
DAV: 2 -0.140768314736E+03 -0.22281E+04 -0.21407E+04 2136 0.261E+02
DAV: 3 -0.461699621454E+03 -0.32093E+03 -0.31723E+03 1896 0.107E+02
DAV: 4 -0.475368822710E+03 -0.13669E+02 -0.13441E+02 1960 0.227E+01
DAV: 5 -0.475861332434E+03 -0.49251E+00 -0.49219E+00 2104 0.384E+00 0.434E+01
DAV: 6 -0.457957097123E+03 0.17904E+02 -0.20565E+02 2048 0.318E+01 0.411E+01
DAV: 7 -0.450195912762E+03 0.77612E+01 -0.42164E+01 1776 0.139E+01 0.200E+01
DAV: 8 -0.445635879226E+03 0.45600E+01 -0.80549E+00 1784 0.721E+00 0.114E+01
DAV: 9 -0.446389206956E+03 -0.75333E+00 -0.22673E+01 2052 0.824E+00 0.996E+00
DAV: 10 -0.445869915811E+03 0.51929E+00 -0.15493E+00 1832 0.226E+00 0.867E+00
DAV: 11 -0.444932465313E+03 0.93745E+00 -0.89669E-01 2040 0.206E+00 0.592E+00
DAV: 12 -0.445085068122E+03 -0.15260E+00 -0.42851E+00 2056 0.293E+00 0.142E+01
DAV: 13 -0.444344511271E+03 0.74056E+00 -0.53866E+00 1960 0.236E+00 0.355E+00
DAV: 14 -0.444409494983E+03 -0.64984E-01 -0.16090E-01 1936 0.948E-01 0.260E+00
DAV: 15 -0.444366340838E+03 0.43154E-01 -0.18548E-02 1936 0.355E-01 0.182E+00
DAV: 16 -0.444349592950E+03 0.16748E-01 -0.83254E-03 2176 0.336E-01 0.651E-01
DAV: 17 -0.444358474677E+03 -0.88817E-02 -0.94363E-03 1888 0.314E-01 0.477E-01
DAV: 18 -0.444364503838E+03 -0.60292E-02 -0.30760E-02 1912 0.242E-01 0.451E-01
DAV: 19 -0.444366563840E+03 -0.20600E-02 -0.25425E-03 1864 0.118E-01 0.243E-01
DAV: 20 -0.444366593071E+03 -0.29231E-04 -0.36024E-04 1952 0.474E-02 0.101E-01
DAV: 21 -0.444368395102E+03 -0.18020E-02 -0.54083E-04 2184 0.689E-02 0.159E-01
DAV: 22 -0.444368541883E+03 -0.14678E-03 -0.14076E-04 1936 0.345E-02 0.101E-01
DAV: 23 -0.444369213916E+03 -0.67203E-03 -0.17328E-04 1880 0.308E-02 0.833E-02
DAV: 24 -0.444369361234E+03 -0.14732E-03 -0.36488E-05 1568 0.172E-02 0.246E-02
DAV: 25 -0.444369878062E+03 -0.51683E-03 -0.30696E-05 1440 0.129E-02 0.144E-02
DAV: 26 -0.444370275540E+03 -0.39748E-03 -0.60564E-05 1640 0.156E-02 0.368E-02
DAV: 27 -0.444370303489E+03 -0.27949E-04 -0.12011E-05 1296 0.137E-02 0.735E-03
DAV: 28 -0.444370345053E+03 -0.41564E-04 -0.86267E-06 1088 0.624E-03 0.671E-03
DAV: 29 -0.444370367308E+03 -0.22254E-04 -0.32986E-06 1032 0.546E-03 0.428E-03
DAV: 30 -0.444370388576E+03 -0.21269E-04 -0.34220E-06 1072 0.396E-03 0.578E-03
DAV: 31 -0.444370392530E+03 -0.39537E-05 -0.58243E-07 936 0.235E-03
1 F= -.44437039E+03 E0= -.44436366E+03 d E =-.202089E-01