iterations/neb0_image04_iter41_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 0.208976725125E+04 0.20898E+04 -0.11614E+05 1704 0.105E+03
DAV: 2 -0.139867128888E+03 -0.22296E+04 -0.21370E+04 2120 0.262E+02
DAV: 3 -0.465501473080E+03 -0.32563E+03 -0.32216E+03 1856 0.108E+02
DAV: 4 -0.478010358310E+03 -0.12509E+02 -0.12453E+02 1936 0.225E+01
DAV: 5 -0.478491356176E+03 -0.48100E+00 -0.48075E+00 2136 0.385E+00 0.429E+01
DAV: 6 -0.447485053610E+03 0.31006E+02 -0.14718E+02 2032 0.319E+01 0.391E+01
DAV: 7 -0.454279604833E+03 -0.67946E+01 -0.30262E+02 1888 0.139E+01 0.209E+01
DAV: 8 -0.448312036099E+03 0.59676E+01 -0.86394E+00 1808 0.738E+00 0.131E+01
DAV: 9 -0.446036031557E+03 0.22760E+01 -0.24711E+01 2080 0.109E+01 0.927E+00
DAV: 10 -0.445114752864E+03 0.92128E+00 -0.40097E+00 1888 0.344E+00 0.990E+00
DAV: 11 -0.444597820208E+03 0.51693E+00 -0.47362E-01 1984 0.164E+00 0.737E+00
DAV: 12 -0.444802091666E+03 -0.20427E+00 -0.10220E+01 2240 0.399E+00 0.712E+00
DAV: 13 -0.443985644909E+03 0.81645E+00 -0.78359E-01 1960 0.317E+00 0.477E+00
DAV: 14 -0.443869003148E+03 0.11664E+00 -0.11289E+00 1912 0.119E+00 0.230E+00
DAV: 15 -0.443911059299E+03 -0.42056E-01 -0.14469E-01 1928 0.718E-01 0.371E+00
DAV: 16 -0.443852356628E+03 0.58703E-01 -0.64209E-01 2056 0.665E-01 0.215E+00
DAV: 17 -0.443852679399E+03 -0.32277E-03 -0.35227E-02 1960 0.356E-01 0.119E+00
DAV: 18 -0.443860335950E+03 -0.76566E-02 -0.43117E-02 2120 0.496E-01 0.390E-01
DAV: 19 -0.443868121842E+03 -0.77859E-02 -0.12551E-02 1832 0.233E-01 0.326E-01
DAV: 20 -0.443870051745E+03 -0.19299E-02 -0.36956E-03 2200 0.161E-01 0.262E-01
DAV: 21 -0.443873829106E+03 -0.37774E-02 -0.64581E-03 1832 0.213E-01 0.436E-01
DAV: 22 -0.443874180551E+03 -0.35144E-03 -0.82968E-04 2000 0.776E-02 0.393E-01
DAV: 23 -0.443875251921E+03 -0.10714E-02 -0.19615E-03 1920 0.981E-02 0.154E-01
DAV: 24 -0.443877111742E+03 -0.18598E-02 -0.83106E-04 1936 0.563E-02 0.702E-02
DAV: 25 -0.443878456447E+03 -0.13447E-02 -0.17095E-04 1792 0.298E-02 0.375E-02
DAV: 26 -0.443879113970E+03 -0.65752E-03 -0.90227E-05 1704 0.184E-02 0.319E-02
DAV: 27 -0.443879302619E+03 -0.18865E-03 -0.34095E-05 1528 0.142E-02 0.193E-02
DAV: 28 -0.443879436738E+03 -0.13412E-03 -0.40111E-05 1672 0.167E-02 0.255E-02
DAV: 29 -0.443879507627E+03 -0.70889E-04 -0.36807E-05 1216 0.848E-03 0.228E-02
DAV: 30 -0.443879540781E+03 -0.33153E-04 -0.24333E-05 1000 0.564E-03 0.171E-02
DAV: 31 -0.443879563952E+03 -0.23172E-04 -0.95309E-06 1032 0.579E-03 0.636E-03
DAV: 32 -0.443879582960E+03 -0.19007E-04 -0.46579E-06 976 0.495E-03 0.132E-02
DAV: 33 -0.443879590383E+03 -0.74237E-05 -0.31977E-06 944 0.280E-03
1 F= -.44387959E+03 E0= -.44386406E+03 d E =-.466028E-01