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 occurring to the python documentation [
https://docs.python.org/2.7/whatsnew/2.6.html#pep-3110-exception-handling-changes
].
However, in the WIEN2k 14.2 usersguide [
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ], it seems to
mention in section 8.2 BerryPI (Modern theory of polarization) on page
137 that version 2.7 of python is required.
On 7/21/2015 8:50 PM, Kamil Klier ( Faculty/Staff - Professor Emeritus )
wrote:
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 /work/jspirko/WIEN2k-14.2-20141018/write_inwf, line 145
except KeyError as e:
^
SyntaxError: invalid syntax
***
The test case was fully converged ZnO. Afterwards, prepare_w2wdir
TARGET generated the expected files in TARGET, cd to TARGET was
followed by init_w2w:, x kgen -fbz and x findbands was done, chose
range Emin = -0.1 eV and Emax = 0.0 eV at VBM, and then write_inwf
gave the above error.
Note 1: wannier90 is installed
Note 2: I have checked the mailing list for a similar error but found
none.
Any instruction for a fix would be highly appreciated. Why does the
caret appear in the error message?
Regards,
Kamil Klier
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