iterations/neb0_image09_iter51_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 0.209699249983E+04 0.20970E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142916766666E+03 -0.22399E+04 -0.21499E+04 2160 0.262E+02
DAV: 3 -0.466458741289E+03 -0.32354E+03 -0.32020E+03 1840 0.108E+02
DAV: 4 -0.479209352112E+03 -0.12751E+02 -0.12702E+02 1960 0.227E+01
DAV: 5 -0.479667857809E+03 -0.45851E+00 -0.45826E+00 2088 0.379E+00 0.427E+01
DAV: 6 -0.447155890135E+03 0.32512E+02 -0.14256E+02 2016 0.308E+01 0.271E+01
DAV: 7 -0.449086466126E+03 -0.19306E+01 -0.75224E+01 1928 0.111E+01 0.137E+01
DAV: 8 -0.446256064877E+03 0.28304E+01 -0.82326E+00 2416 0.800E+00 0.856E+00
DAV: 9 -0.446811267706E+03 -0.55520E+00 -0.14551E+01 1888 0.391E+00 0.484E+00
DAV: 10 -0.446013311014E+03 0.79796E+00 -0.62683E-01 2128 0.388E+00 0.340E+00
DAV: 11 -0.446132563983E+03 -0.11925E+00 -0.25572E+00 1896 0.167E+00 0.414E+00
DAV: 12 -0.446013755122E+03 0.11881E+00 -0.20695E+00 1952 0.131E+00 0.305E+00
DAV: 13 -0.446046806648E+03 -0.33052E-01 -0.15424E+00 2112 0.938E-01 0.343E+00
DAV: 14 -0.445963849923E+03 0.82957E-01 -0.38889E-01 2016 0.654E-01 0.358E-01
DAV: 15 -0.445973664046E+03 -0.98141E-02 -0.18571E-02 1976 0.261E-01 0.591E-01
DAV: 16 -0.445973406701E+03 0.25735E-03 -0.75765E-03 1864 0.156E-01 0.185E-01
DAV: 17 -0.445975481076E+03 -0.20744E-02 -0.26382E-03 1880 0.987E-02 0.168E-01
DAV: 18 -0.445978754550E+03 -0.32735E-02 -0.62295E-03 2000 0.812E-02 0.400E-01
DAV: 19 -0.445980641598E+03 -0.18870E-02 -0.89944E-03 2176 0.122E-01 0.335E-01
DAV: 20 -0.445981918405E+03 -0.12768E-02 -0.90781E-04 1848 0.558E-02 0.122E-01
DAV: 21 -0.445982866694E+03 -0.94829E-03 -0.51581E-04 1864 0.505E-02 0.266E-02
DAV: 22 -0.445983428785E+03 -0.56209E-03 -0.21719E-04 1848 0.324E-02 0.637E-02
DAV: 23 -0.445983643863E+03 -0.21508E-03 -0.32550E-05 1480 0.146E-02 0.668E-02
DAV: 24 -0.445983752718E+03 -0.10886E-03 -0.74685E-05 1600 0.178E-02 0.764E-03
DAV: 25 -0.445983893563E+03 -0.14084E-03 -0.17431E-05 1168 0.878E-03 0.238E-02
DAV: 26 -0.445984002059E+03 -0.10850E-03 -0.15327E-05 1184 0.636E-03 0.703E-03
DAV: 27 -0.445984028837E+03 -0.26778E-04 -0.23057E-06 944 0.398E-03 0.237E-03
DAV: 28 -0.445984057277E+03 -0.28441E-04 -0.27896E-06 1048 0.388E-03 0.492E-03
DAV: 29 -0.445984064261E+03 -0.69835E-05 -0.61152E-07 936 0.226E-03
1 F= -.44598406E+03 E0= -.44595797E+03 d E =-.782957E-01