iterations/neb0_image03_iter47_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 0.209909594031E+04 0.20991E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139113563821E+03 -0.22382E+04 -0.21484E+04 2160 0.262E+02
DAV: 3 -0.464033565266E+03 -0.32492E+03 -0.31932E+03 1936 0.107E+02
DAV: 4 -0.476886495324E+03 -0.12853E+02 -0.12810E+02 1944 0.227E+01
DAV: 5 -0.477339165456E+03 -0.45267E+00 -0.45244E+00 2104 0.376E+00 0.433E+01
DAV: 6 -0.453202767803E+03 0.24136E+02 -0.14738E+02 2040 0.317E+01 0.424E+01
DAV: 7 -0.453821998205E+03 -0.61923E+00 -0.83460E+01 1808 0.146E+01 0.219E+01
DAV: 8 -0.447390410555E+03 0.64316E+01 -0.99301E+00 1864 0.835E+00 0.136E+01
DAV: 9 -0.447003068757E+03 0.38734E+00 -0.20489E+01 2024 0.109E+01 0.120E+01
DAV: 10 -0.446163179011E+03 0.83989E+00 -0.36557E+00 1824 0.343E+00 0.107E+01
DAV: 11 -0.445560089660E+03 0.60309E+00 -0.36775E-01 1912 0.186E+00 0.953E+00
DAV: 12 -0.444720084693E+03 0.84000E+00 -0.38219E+00 2056 0.438E+00 0.112E+01
DAV: 13 -0.444548437218E+03 0.17165E+00 -0.66935E+00 1960 0.361E+00 0.589E+00
DAV: 14 -0.444186772525E+03 0.36166E+00 -0.26730E-01 1808 0.124E+00 0.292E+00
DAV: 15 -0.444164352126E+03 0.22420E-01 -0.60566E-01 1920 0.906E-01 0.305E+00
DAV: 16 -0.444180735045E+03 -0.16383E-01 -0.54685E-02 2032 0.683E-01 0.153E+00
DAV: 17 -0.444177727749E+03 0.30073E-02 -0.15160E-02 1832 0.373E-01 0.135E+00
DAV: 18 -0.444178739302E+03 -0.10116E-02 -0.63587E-03 1832 0.209E-01 0.135E+00
DAV: 19 -0.444175643407E+03 0.30959E-02 -0.87579E-03 2040 0.279E-01 0.858E-01
DAV: 20 -0.444178653455E+03 -0.30100E-02 -0.25687E-03 1824 0.137E-01 0.194E-01
DAV: 21 -0.444180362674E+03 -0.17092E-02 -0.71964E-04 1960 0.646E-02 0.536E-02
DAV: 22 -0.444181911365E+03 -0.15487E-02 -0.17453E-04 1832 0.351E-02 0.535E-02
DAV: 23 -0.444183661931E+03 -0.17506E-02 -0.33929E-04 1864 0.461E-02 0.145E-01
DAV: 24 -0.444184126116E+03 -0.46419E-03 -0.11796E-04 1912 0.289E-02 0.349E-02
DAV: 25 -0.444184517520E+03 -0.39140E-03 -0.54927E-05 1608 0.244E-02 0.544E-02
DAV: 26 -0.444184672759E+03 -0.15524E-03 -0.43434E-05 1744 0.154E-02 0.685E-02
DAV: 27 -0.444184708486E+03 -0.35726E-04 -0.99243E-06 1336 0.795E-03 0.292E-02
DAV: 28 -0.444184763452E+03 -0.54966E-04 -0.48941E-06 1088 0.640E-03 0.111E-02
DAV: 29 -0.444184793034E+03 -0.29583E-04 -0.31167E-06 952 0.482E-03 0.134E-02
DAV: 30 -0.444184810919E+03 -0.17884E-04 -0.11103E-06 968 0.284E-03 0.598E-03
DAV: 31 -0.444184828004E+03 -0.17085E-04 -0.81499E-07 960 0.213E-03 0.436E-03
DAV: 32 -0.444184835824E+03 -0.78201E-05 -0.39347E-07 944 0.235E-03
1 F= -.44418484E+03 E0= -.44417326E+03 d E =-.347293E-01