Dear Users, I have optimized a doped AFM structure with option 8 [VARY C/A RATIO and VOLUME (2D-case) (tetr and hex lattices)].
all process went okay, but I am not able to get the lattice parameters. Please help me to get the optimized parameters. Let me know it any additional information is required. I already read UG 5.3. *bhamu@bhamu-pmc:~/wien_work/case$*e plot -a " " getting the below error: type "boa" for b/a or "coa" for c/a or "vol" for volume curve coa ls: No match. ls: No match. Read 0 points No data to fit "tmp", line 6: bhamu@bhamu-pmc:~/wien_work/case$*parabolfit_lapw * enter dimensionality (2-4) of fit: 2 ls: No match. ls: No match. PbCoS_tetra_Opt.ene and PbCoS_tetra_Opt.latparam generated Enter dimension of fit (number of variable lattice parameters, 1-6): 2 fitcase 6 parameter lowest data point: 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 INCONSISTENT DIMENSIONS Parabolic equation of state: info 66 E = x1 + x2(a-x3)^2 + x4(b-x5)^2 + x6(a-x3)(b-x5) Fitparameter are 1.000000 0.100000 0.000000 0.100000 0.000000 0.100000 0 lattic parameters energy de(EOS) Sigma: 0.000000 Optionally create data points from fit function Enter number of datapoints for your 2 dimensional Energy surface NI=0 terminates; NI=1 will use 1 specific value in I-th component and allows to generate 2D-cuts 0.0u 0.0s 0:00.04 50.0% 0+0k 1728+8io 8pf+0w Regards Bhamu
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