[Wien] Setting RMT

[delamora]

Thank you Prof. Blaha,
You commented;
____________________
> After edditing the case.struct file with StructGen I push "save", then I
> get the option of setting the RMT with;
> *set automatically RMT and continue editing <http://localhost:7890/util/
> structrmt.pl?SID=899042>*
> but the RMT remains the same "RMT=2.000" => 2.000
> so it does not find the correct RMT

After pushing "set automatically RMT and continue editing", it comes
back into the structeditor.  Do you see the modified RMTs there ?
Afterwards you still need to save it, to make it active (the
structeditor works on a copy of the struct file).

If it does not work, execute       setrmt    on the command line (in a
terminal window in the correct directory. What do you get there ??
__________________________
After executing
    setrmt
I got the message that the
   Math::Trig
package was missing
after installing it;
   perl
   cpam Math::Trig
the RMT was modified
__________________________

> Another problem;
> When I open xcrysden in the terminal and I try to
> "Open WIEN2k Struct file"
> and I point to "case.struct" file it opens the crystal structure, but if
> I point to another file, like "case.in0" or any other, it does not
> display the crystal structure and I get the message
> Error: error renaming "case.in0": no such file or di...

I cannot believe such a question.   XCRYSDENS displays a crystal
structure. It needs an imput, which describes the structure. When you
open case.in0, do you think that it can read structural information from
that file ???
_____________________
up to now, when I put file like "case.**" it would rename it as "case.struct" and open the crystal structure, but now it gives this message
        Error: error renaming "case.in0": no such file or di...
it is not a big problem... but I need to point directly to  the "case.struct" file
_____________________

Saludos

Pablo
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