can't choose the type which i
want
In my case, i like to enter the lattice type P.What can i do? have you any
suggestion?
thanks in advance
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By default WIEN2k always chooses the cell with the highest symmetry
for accuracy and speed issues. Hence if you have a hexagonal
structure, it will choose a hexagonal cell. It does not therefore make
sense to use P; there has to be some physical justification which you
will have to explain (and the
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Check it out in $WIENROOT. It is present there.
Most likely, on your remote computer you do not have access (PATH) to the
wien-root directory
or your $PATH variable is not set (ssh-daemon options)
Sometimes you can create in your .ssh directory a file called: config
and put:
SendEnv *
into it
No problem. Results should be fine.
Am 04.05.2012 02:51, schrieb Yundi Quan:
> Dear Sir/Madam,
> I'm using WIEN2k_11. My material has 3d electrons. So I used APW+lo
> for valence electrons. I got a warning message at the first iteration.
> As I understand it, I need to change energy parameters in
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