[Wien] About FS plotting (2)

[Peter Blaha]

> I would like to calculate the FS in the specified plane of BZ. The procedure FSGEN works fine in the case of bcc W if I use bcc_fs_mesh.f (example #1) and it stops for example #3. After the command x spaghetti I receive comments:number of k-points read in case.vector = 66ERROR in comprel: cannot find com.relWhat does it mean and how can I continue my calculation?

rm case.irrep    (incompatibility from a previous   x irrep calculation)



> The second question. Two last digits in the first line of the fort.2, generated by bcc_fs_mesh (example #1) are: mesh/2+1, mesh/3+1. The same digits in the (example #3) are mesh/2+1,mesh/2+1. What do two last digits mean?

Number of mesh points. You need them later as input.
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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