iterations/neb0_image03_iter49_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144990550330E+04 0.14499E+04 -0.44199E+04 330 0.697E+02
DAV: 2 0.224842767286E+03 -0.12251E+04 -0.11491E+04 435 0.163E+02
DAV: 3 -0.362494736716E+03 -0.58734E+03 -0.58407E+03 345 0.114E+02
DAV: 4 -0.433389550305E+03 -0.70895E+02 -0.70665E+02 309 0.509E+01
DAV: 5 -0.434982373445E+03 -0.15928E+01 -0.15902E+01 318 0.784E+00 0.427E+01
DAV: 6 -0.388865318968E+03 0.46117E+02 -0.14832E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385408629558E+03 0.34567E+01 -0.12980E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383944510712E+03 0.14641E+01 -0.22574E+00 345 0.382E+00 0.441E+00
DAV: 9 -0.383357881180E+03 0.58663E+00 -0.69744E-01 327 0.215E+00 0.112E+00
DAV: 10 -0.383307790934E+03 0.50090E-01 -0.34039E-01 327 0.110E+00 0.106E+00
DAV: 11 -0.383280594028E+03 0.27197E-01 -0.13301E-01 336 0.605E-01 0.763E-01
DAV: 12 -0.383261026080E+03 0.19568E-01 -0.74730E-02 327 0.453E-01 0.542E-01
DAV: 13 -0.383248821887E+03 0.12204E-01 -0.16999E-02 336 0.433E-01 0.721E-01
DAV: 14 -0.383240738927E+03 0.80830E-02 -0.15775E-01 363 0.458E-01 0.772E-01
DAV: 15 -0.383238335159E+03 0.24038E-02 -0.51808E-02 318 0.265E-01 0.486E-01
DAV: 16 -0.383240104492E+03 -0.17693E-02 -0.83036E-03 300 0.334E-01 0.346E-01
DAV: 17 -0.383243508866E+03 -0.34044E-02 -0.70801E-03 336 0.206E-01 0.180E-01
DAV: 18 -0.383252883757E+03 -0.93749E-02 -0.30443E-03 291 0.160E-01 0.166E-01
DAV: 19 -0.383264435028E+03 -0.11551E-01 -0.30390E-03 300 0.158E-01 0.130E-01
DAV: 20 -0.383272059453E+03 -0.76244E-02 -0.12844E-03 336 0.103E-01 0.828E-02
DAV: 21 -0.383278036393E+03 -0.59769E-02 -0.49797E-04 345 0.586E-02 0.522E-02
DAV: 22 -0.383282533544E+03 -0.44972E-02 -0.24237E-04 327 0.374E-02 0.507E-02
DAV: 23 -0.383286192548E+03 -0.36590E-02 -0.20642E-04 318 0.323E-02 0.259E-02
DAV: 24 -0.383289062039E+03 -0.28695E-02 -0.15595E-04 318 0.288E-02 0.285E-02
DAV: 25 -0.383289890588E+03 -0.82855E-03 -0.40827E-05 318 0.164E-02 0.201E-02
DAV: 26 -0.383290601304E+03 -0.71072E-03 -0.26395E-05 237 0.122E-02 0.214E-02
DAV: 27 -0.383291241541E+03 -0.64024E-03 -0.24882E-05 264 0.102E-02 0.106E-02
DAV: 28 -0.383291505721E+03 -0.26418E-03 -0.14404E-05 255 0.956E-03 0.521E-03
DAV: 29 -0.383291652348E+03 -0.14663E-03 -0.47875E-06 201 0.558E-03 0.416E-03
DAV: 30 -0.383291735025E+03 -0.82677E-04 -0.29062E-06 228 0.451E-03 0.645E-03
DAV: 31 -0.383291796256E+03 -0.61230E-04 -0.21917E-06 192 0.333E-03 0.244E-03
DAV: 32 -0.383291823578E+03 -0.27323E-04 -0.12268E-06 228 0.258E-03 0.168E-03
DAV: 33 -0.383291841456E+03 -0.17877E-04 -0.81647E-07 192 0.199E-03 0.177E-03
DAV: 34 -0.383291847848E+03 -0.63926E-05 -0.31318E-07 228 0.122E-03
1 F= -.38329185E+03 E0= -.38330828E+03 d E =0.493047E-01