iterations/neb0_image07_iter20_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 0.209967202326E+04 0.20997E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.138419534158E+03 -0.22381E+04 -0.21502E+04 2152 0.262E+02
DAV: 3 -0.464516480709E+03 -0.32610E+03 -0.32149E+03 1872 0.107E+02
DAV: 4 -0.477351838093E+03 -0.12835E+02 -0.12788E+02 1968 0.228E+01
DAV: 5 -0.477823338646E+03 -0.47150E+00 -0.47123E+00 2120 0.382E+00 0.428E+01
DAV: 6 -0.448143710922E+03 0.29680E+02 -0.14791E+02 2032 0.318E+01 0.271E+01
DAV: 7 -0.445605159823E+03 0.25386E+01 -0.24298E+01 1864 0.115E+01 0.122E+01
DAV: 8 -0.445700798705E+03 -0.95639E-01 -0.70107E+00 2056 0.606E+00 0.771E+00
DAV: 9 -0.445999156673E+03 -0.29836E+00 -0.10999E+01 2248 0.463E+00 0.825E+00
DAV: 10 -0.445292244757E+03 0.70691E+00 -0.12920E+00 2544 0.448E+00 0.451E+00
DAV: 11 -0.445062457831E+03 0.22979E+00 -0.13841E+00 1832 0.185E+00 0.101E+00
DAV: 12 -0.445073601477E+03 -0.11144E-01 -0.12744E-01 1952 0.843E-01 0.700E-01
DAV: 13 -0.445076836274E+03 -0.32348E-02 -0.21729E-02 1944 0.350E-01 0.472E-01
DAV: 14 -0.445082416758E+03 -0.55805E-02 -0.97093E-03 2128 0.279E-01 0.473E-01
DAV: 15 -0.445083759265E+03 -0.13425E-02 -0.57099E-03 2264 0.217E-01 0.475E-01
DAV: 16 -0.445083272488E+03 0.48678E-03 -0.17714E-03 1992 0.112E-01 0.860E-02
DAV: 17 -0.445085811169E+03 -0.25387E-02 -0.11309E-03 1824 0.767E-02 0.702E-02
DAV: 18 -0.445087859298E+03 -0.20481E-02 -0.70884E-04 2144 0.616E-02 0.126E-01
DAV: 19 -0.445089224118E+03 -0.13648E-02 -0.35841E-04 1952 0.577E-02 0.335E-02
DAV: 20 -0.445090841720E+03 -0.16176E-02 -0.52221E-04 1952 0.580E-02 0.466E-02
DAV: 21 -0.445091397336E+03 -0.55562E-03 -0.17314E-04 2152 0.374E-02 0.632E-02
DAV: 22 -0.445091823046E+03 -0.42571E-03 -0.85552E-05 1760 0.205E-02 0.151E-02
DAV: 23 -0.445092012233E+03 -0.18919E-03 -0.22295E-05 1384 0.116E-02 0.239E-02
DAV: 24 -0.445092122259E+03 -0.11003E-03 -0.13295E-05 1192 0.937E-03 0.613E-03
DAV: 25 -0.445092182684E+03 -0.60425E-04 -0.55959E-06 1104 0.576E-03 0.137E-02
DAV: 26 -0.445092203092E+03 -0.20409E-04 -0.24694E-06 944 0.433E-03 0.594E-03
DAV: 27 -0.445092216607E+03 -0.13514E-04 -0.11758E-06 984 0.264E-03 0.193E-03
DAV: 28 -0.445092230714E+03 -0.14108E-04 -0.12890E-06 984 0.242E-03 0.312E-03
DAV: 29 -0.445092233941E+03 -0.32270E-05 -0.34915E-07 936 0.122E-03
1 F= -.44509223E+03 E0= -.44507685E+03 d E =-.461481E-01