iterations/neb0_image03_iter68_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 0.209794019586E+04 0.20979E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138752131500E+03 -0.22367E+04 -0.21460E+04 2160 0.262E+02
DAV: 3 -0.463581762911E+03 -0.32483E+03 -0.31928E+03 1920 0.108E+02
DAV: 4 -0.476676187667E+03 -0.13094E+02 -0.13051E+02 1960 0.228E+01
DAV: 5 -0.477115184598E+03 -0.43900E+00 -0.43881E+00 2136 0.373E+00 0.433E+01
DAV: 6 -0.453976629840E+03 0.23139E+02 -0.14890E+02 2056 0.318E+01 0.417E+01
DAV: 7 -0.453490728848E+03 0.48590E+00 -0.82531E+01 1792 0.144E+01 0.219E+01
DAV: 8 -0.446859836396E+03 0.66309E+01 -0.10049E+01 1856 0.853E+00 0.135E+01
DAV: 9 -0.447228224286E+03 -0.36839E+00 -0.24486E+01 2064 0.109E+01 0.119E+01
DAV: 10 -0.446418313030E+03 0.80991E+00 -0.31944E+00 1824 0.335E+00 0.109E+01
DAV: 11 -0.445466915737E+03 0.95140E+00 -0.64894E-01 1936 0.214E+00 0.896E+00
DAV: 12 -0.445566052988E+03 -0.99137E-01 -0.95753E+00 2088 0.500E+00 0.120E+01
DAV: 13 -0.444361286905E+03 0.12048E+01 -0.13488E+00 1992 0.398E+00 0.532E+00
DAV: 14 -0.444223415789E+03 0.13787E+00 -0.27155E-01 1856 0.105E+00 0.244E+00
DAV: 15 -0.444196491622E+03 0.26924E-01 -0.19442E-01 1888 0.735E-01 0.936E-01
DAV: 16 -0.444224748099E+03 -0.28256E-01 -0.36065E-02 1992 0.559E-01 0.483E-01
DAV: 17 -0.444239369335E+03 -0.14621E-01 -0.11851E-02 1856 0.270E-01 0.165E+00
DAV: 18 -0.444224585167E+03 0.14784E-01 -0.41003E-03 1928 0.211E-01 0.343E-01
DAV: 19 -0.444230428338E+03 -0.58432E-02 -0.30527E-03 1904 0.165E-01 0.279E-01
DAV: 20 -0.444232455693E+03 -0.20274E-02 -0.21147E-03 1920 0.106E-01 0.882E-02
DAV: 21 -0.444233074067E+03 -0.61837E-03 -0.29732E-04 1928 0.613E-02 0.252E-01
DAV: 22 -0.444233258592E+03 -0.18453E-03 -0.37194E-04 1840 0.546E-02 0.137E-01
DAV: 23 -0.444234474530E+03 -0.12159E-02 -0.11860E-04 1736 0.316E-02 0.372E-02
DAV: 24 -0.444236363687E+03 -0.18892E-02 -0.36034E-04 1776 0.416E-02 0.125E-01
DAV: 25 -0.444236471407E+03 -0.10772E-03 -0.56728E-05 1632 0.215E-02 0.813E-02
DAV: 26 -0.444236697714E+03 -0.22631E-03 -0.33429E-05 1480 0.155E-02 0.108E-01
DAV: 27 -0.444236786442E+03 -0.88728E-04 -0.28047E-05 1464 0.142E-02 0.190E-02
DAV: 28 -0.444236921880E+03 -0.13544E-03 -0.92169E-06 1168 0.816E-03 0.130E-02
DAV: 29 -0.444236961385E+03 -0.39504E-04 -0.38404E-06 1016 0.675E-03 0.818E-03
DAV: 30 -0.444236993466E+03 -0.32081E-04 -0.51874E-06 1032 0.618E-03 0.132E-02
DAV: 31 -0.444237006777E+03 -0.13311E-04 -0.17140E-06 952 0.318E-03 0.550E-03
DAV: 32 -0.444237018713E+03 -0.11936E-04 -0.10568E-06 960 0.271E-03 0.374E-03
DAV: 33 -0.444237029001E+03 -0.10288E-04 -0.55360E-07 960 0.165E-03 0.426E-03
DAV: 34 -0.444237031250E+03 -0.22495E-05 -0.21037E-07 936 0.134E-03
1 F= -.44423703E+03 E0= -.44422697E+03 d E =-.301899E-01