iterations/neb0_image07_iter16_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 0.209903865636E+04 0.20990E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.138782996140E+03 -0.22378E+04 -0.21524E+04 2160 0.262E+02
DAV: 3 -0.464210686286E+03 -0.32543E+03 -0.32089E+03 1864 0.107E+02
DAV: 4 -0.477056861097E+03 -0.12846E+02 -0.12800E+02 1952 0.228E+01
DAV: 5 -0.477521310114E+03 -0.46445E+00 -0.46416E+00 2128 0.380E+00 0.427E+01
DAV: 6 -0.448060363405E+03 0.29461E+02 -0.14725E+02 2024 0.316E+01 0.271E+01
DAV: 7 -0.445537783106E+03 0.25226E+01 -0.25074E+01 1856 0.116E+01 0.125E+01
DAV: 8 -0.446152605008E+03 -0.61482E+00 -0.13775E+01 2312 0.697E+00 0.848E+00
DAV: 9 -0.445068397367E+03 0.10842E+01 -0.45494E+00 2136 0.456E+00 0.546E+00
DAV: 10 -0.445421461172E+03 -0.35306E+00 -0.69670E+00 2304 0.383E+00 0.472E+00
DAV: 11 -0.444947851135E+03 0.47361E+00 -0.67854E-01 1952 0.201E+00 0.182E+00
DAV: 12 -0.444948357890E+03 -0.50675E-03 -0.21567E-01 1960 0.114E+00 0.130E+00
DAV: 13 -0.444950947758E+03 -0.25899E-02 -0.42803E-02 1856 0.456E-01 0.666E-01
DAV: 14 -0.445001855757E+03 -0.50908E-01 -0.34083E-01 2096 0.519E-01 0.310E+00
DAV: 15 -0.444943335938E+03 0.58520E-01 -0.30731E-01 2384 0.509E-01 0.324E-01
DAV: 16 -0.444958300002E+03 -0.14964E-01 -0.13536E-02 1896 0.253E-01 0.421E-01
DAV: 17 -0.444958784335E+03 -0.48433E-03 -0.25049E-03 1992 0.151E-01 0.150E-01
DAV: 18 -0.444959686702E+03 -0.90237E-03 -0.21613E-03 1888 0.103E-01 0.230E-01
DAV: 19 -0.444961636801E+03 -0.19501E-02 -0.77164E-04 1952 0.677E-02 0.271E-01
DAV: 20 -0.444962871243E+03 -0.12344E-02 -0.49187E-04 2096 0.721E-02 0.579E-02
DAV: 21 -0.444964774374E+03 -0.19031E-02 -0.54436E-04 1824 0.593E-02 0.296E-02
DAV: 22 -0.444966060696E+03 -0.12863E-02 -0.31559E-04 1848 0.343E-02 0.539E-02
DAV: 23 -0.444966285894E+03 -0.22520E-03 -0.47548E-05 1632 0.196E-02 0.603E-02
DAV: 24 -0.444966525737E+03 -0.23984E-03 -0.57155E-05 1736 0.196E-02 0.153E-02
DAV: 25 -0.444966727781E+03 -0.20204E-03 -0.37600E-05 1528 0.151E-02 0.120E-02
DAV: 26 -0.444966774999E+03 -0.47218E-04 -0.24206E-05 1368 0.118E-02 0.819E-03
DAV: 27 -0.444966799045E+03 -0.24046E-04 -0.26363E-06 936 0.424E-03 0.660E-03
DAV: 28 -0.444966828792E+03 -0.29747E-04 -0.21757E-06 1032 0.357E-03 0.759E-03
DAV: 29 -0.444966848817E+03 -0.20025E-04 -0.28413E-06 1024 0.477E-03 0.206E-03
DAV: 30 -0.444966856622E+03 -0.78044E-05 -0.14457E-06 936 0.287E-03
1 F= -.44496686E+03 E0= -.44495136E+03 d E =-.464964E-01