[Wien] issue in getting parameters from tetragonal optimization

[Dr. K. C. Bhamu]

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 at 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 at 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20171219/b45d9237/attachment.html>