You might want to try my patch (w2w_main.patch), which you can get at
https://github.com/gsabo/WIEN2k-Patches/tree/master/14.2 (click
WIEN2k-Patches and Download ZIP)?
I think this will improve the error message in w2w.error from what you
got to:
'w2w' - can't open definition file w2w.def
Colleagues,
In my first attempt to run wannier, I've encountered the following error
message triggered by write_inwf when running init_w2w (without
quotes):
***
write_inwf
File
It looks like the caret is pointing to the python as keyword.
What version of python are you using?
You can probably check with the following terminal command (of note, V
should be uppercase): python -V
It seems that python version 2.6 or newer is needed in order to
recognize the as keyword
Thank you Gavin!
If I run w2w with x, it complains '(x) command w2w does not exist - exit'.
However, all interface commands (write_inwf, ...) run without x.
The w2w.def file does NOT exist.
I should mention that when I run init_w2w (without x, it complains with x),
it creates case.ksym file,
Check which x_lapw file it is running. It seems like it might be running
x_lapw from an old WIEN2k version or the WIEN2k 14.2 x_lapw file that
you installed could be damaged (i.e., is missing the w2w code), which
could cause the '(x) command w2w does not exist - exit' error.
On my system, I
Many thanks Delamora for sending the structure.
@ Prof. L. Marks
My intention is to study electronic band structure of Si (100), say
thickness is 0.384 nm, by varying the strain. I am adding H on the top and
bottom to saturate the bonds otherwise free electrons will make Si (100)
metallic. I
Hi Prof Blaha and Wien2k users,
I have a question regarding wien2wannier interface.
The command w2w returns 'w2w - Error' and when I check the error file
it's written 'w2w' - can't open definition file.
I have installed Wien2k_14.2 without any error. I was able to run all
previous steps
for bulk
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