iterations/neb0_image06_iter42_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 0.209794649805E+04 0.20979E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.136466637439E+03 -0.22344E+04 -0.21461E+04 2128 0.262E+02
DAV: 3 -0.461610700353E+03 -0.32514E+03 -0.32187E+03 1896 0.107E+02
DAV: 4 -0.474148027290E+03 -0.12537E+02 -0.12492E+02 1968 0.225E+01
DAV: 5 -0.474597476052E+03 -0.44945E+00 -0.44918E+00 2152 0.372E+00 0.417E+01
DAV: 6 -0.445253491892E+03 0.29344E+02 -0.12678E+02 2008 0.280E+01 0.247E+01
DAV: 7 -0.445455075565E+03 -0.20158E+00 -0.16214E+01 1744 0.824E+00 0.105E+01
DAV: 8 -0.444944342988E+03 0.51073E+00 -0.18814E+00 2120 0.423E+00 0.452E+00
DAV: 9 -0.444886099267E+03 0.58244E-01 -0.53105E-01 1864 0.168E+00 0.855E-01
DAV: 10 -0.444895678126E+03 -0.95789E-02 -0.13484E-01 1984 0.885E-01 0.517E-01
DAV: 11 -0.444898782988E+03 -0.31049E-02 -0.19473E-02 2000 0.430E-01 0.195E-01
DAV: 12 -0.444901741814E+03 -0.29588E-02 -0.72384E-03 1928 0.203E-01 0.119E-01
DAV: 13 -0.444903707927E+03 -0.19661E-02 -0.18449E-03 2008 0.117E-01 0.605E-02
DAV: 14 -0.444905372427E+03 -0.16645E-02 -0.77632E-04 2096 0.651E-02 0.490E-02
DAV: 15 -0.444907752354E+03 -0.23799E-02 -0.45138E-04 1840 0.521E-02 0.333E-02
DAV: 16 -0.444910048370E+03 -0.22960E-02 -0.60240E-04 1992 0.665E-02 0.246E-02
DAV: 17 -0.444910982633E+03 -0.93426E-03 -0.27509E-04 1976 0.382E-02 0.240E-02
DAV: 18 -0.444911419925E+03 -0.43729E-03 -0.73847E-05 1832 0.215E-02 0.103E-02
DAV: 19 -0.444911746597E+03 -0.32667E-03 -0.47537E-05 1560 0.174E-02 0.574E-03
DAV: 20 -0.444911836321E+03 -0.89724E-04 -0.16599E-05 1376 0.112E-02 0.497E-03
DAV: 21 -0.444911883109E+03 -0.46788E-04 -0.74376E-06 1112 0.769E-03 0.408E-03
DAV: 22 -0.444911924802E+03 -0.41693E-04 -0.39288E-06 1144 0.475E-03 0.284E-03
DAV: 23 -0.444911950719E+03 -0.25917E-04 -0.29461E-06 1120 0.434E-03 0.211E-03
DAV: 24 -0.444911960568E+03 -0.98487E-05 -0.17424E-06 1008 0.366E-03
1 F= -.44491196E+03 E0= -.44491308E+03 d E =0.334657E-02