[Wien] How to set the value of EMIN in case.in2 when calculating the electron density plots?

[Peter Blaha]

      1) Are there other means to determine the coordinates of the plane for
ploting the electron density except using the software XcrysDen?

Yes. Please follow the "quick-start" section in the usersguide !
Every user should do and understand at least this section!
You can specify the coordinates of the lower-left,upper-left and
lower-right corner of the plane directly in case.in5

     2)  When calculating the electron density plots after performing the
calculations of DOS or Bandstructure,errors will always come.The solution I
adopt to resolve that problem is to continue running the last cycle of
scf. But that way is very time-consuming.Are there other better means to
solve that problem?

Again follow the quick-start. There is some reason why the bandstructure
is done as "last" point in the properties section, because this overwrites
case.vector.
You can "recover" using    x lapw1 (...options)

After DOS the vector is still ok, so you do NOT need to run an scf-cycle again,
just lapw2 


                                      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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