iterations/neb0_image07_iter32_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 0.210271008578E+04 0.21027E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138514368524E+03 -0.22412E+04 -0.21524E+04 2152 0.262E+02
DAV: 3 -0.464570139248E+03 -0.32606E+03 -0.32121E+03 1880 0.108E+02
DAV: 4 -0.477289827225E+03 -0.12720E+02 -0.12673E+02 1944 0.227E+01
DAV: 5 -0.477768564272E+03 -0.47874E+00 -0.47846E+00 2120 0.384E+00 0.430E+01
DAV: 6 -0.448417735255E+03 0.29351E+02 -0.14793E+02 2040 0.319E+01 0.272E+01
DAV: 7 -0.445727918707E+03 0.26898E+01 -0.24335E+01 1848 0.116E+01 0.125E+01
DAV: 8 -0.445904892578E+03 -0.17697E+00 -0.88408E+00 1976 0.617E+00 0.951E+00
DAV: 9 -0.446628727087E+03 -0.72383E+00 -0.80677E+00 2424 0.698E+00 0.699E+00
DAV: 10 -0.446215329937E+03 0.41340E+00 -0.11555E+00 1848 0.224E+00 0.587E+00
DAV: 11 -0.445319045410E+03 0.89628E+00 -0.92967E-01 2296 0.260E+00 0.370E+00
DAV: 12 -0.445189646063E+03 0.12940E+00 -0.11061E+00 1984 0.163E+00 0.754E-01
DAV: 13 -0.445215263261E+03 -0.25617E-01 -0.58047E-02 1840 0.554E-01 0.845E-01
DAV: 14 -0.445212527519E+03 0.27357E-02 -0.15216E-02 1928 0.260E-01 0.356E-01
DAV: 15 -0.445227035623E+03 -0.14508E-01 -0.21827E-02 2112 0.319E-01 0.107E+00
DAV: 16 -0.445217020035E+03 0.10016E-01 -0.56605E-03 2000 0.308E-01 0.249E-01
DAV: 17 -0.445221660638E+03 -0.46406E-02 -0.92921E-03 1936 0.240E-01 0.590E-01
DAV: 18 -0.445220513464E+03 0.11472E-02 -0.11345E-03 1840 0.775E-02 0.471E-01
DAV: 19 -0.445219945573E+03 0.56789E-03 -0.16746E-03 2232 0.139E-01 0.851E-02
DAV: 20 -0.445223615300E+03 -0.36697E-02 -0.26801E-03 1992 0.144E-01 0.277E-01
DAV: 21 -0.445224023927E+03 -0.40863E-03 -0.49799E-04 1960 0.705E-02 0.149E-01
DAV: 22 -0.445224634063E+03 -0.61014E-03 -0.59860E-04 1864 0.522E-02 0.130E-01
DAV: 23 -0.445225103442E+03 -0.46938E-03 -0.34197E-04 2152 0.458E-02 0.726E-02
DAV: 24 -0.445225675351E+03 -0.57191E-03 -0.14317E-04 1824 0.294E-02 0.408E-02
DAV: 25 -0.445226297747E+03 -0.62240E-03 -0.10822E-04 1656 0.231E-02 0.708E-02
DAV: 26 -0.445226465260E+03 -0.16751E-03 -0.41880E-05 1624 0.137E-02 0.505E-02
DAV: 27 -0.445226487067E+03 -0.21807E-04 -0.18296E-05 1352 0.116E-02 0.193E-02
DAV: 28 -0.445226508755E+03 -0.21688E-04 -0.59480E-06 936 0.638E-03 0.119E-02
DAV: 29 -0.445226538207E+03 -0.29452E-04 -0.58439E-06 1072 0.666E-03 0.821E-03
DAV: 30 -0.445226547003E+03 -0.87966E-05 -0.23693E-06 936 0.367E-03
1 F= -.44522655E+03 E0= -.44521300E+03 d E =-.406464E-01