Dear Gavin,
In the previous message I had pasted error from older version ( not 19.2).
apologies.
I am pasting the error message from the version 19.2.
File "/nfs/student/abhijit/software/WIEN2K_19.2/write_inwf", line 57
return np.array([float (s) for s in l[12:22], l[25:35], l[38:48]])
You can also try a newer version with python 3 compatibility from
https://github.com/spichardo/BerryPI/tree/master/utils
It has some changes in the line with error.
Good luck
Oleg
--
Oleg Rubel (PhD, PEng)
Department of Materials Science and Engineering
McMaster University
JHE
If your using WIEN2k_19.2, then only follow [3] (do not follow [1]).
Maybe you are not using your WIEN2k_19.2 installation directory but are
still using your older WIEN2k version installation directory.
For example, in an older WIEN2k version, you might see write_inwf_lapw
is version 1.0.0
Dear Users,
I am using WIEN2k_19.2.
I am coming across the following error while running ''write_inwf"
File "/./wien2k/write_inwf", line 58
return np.array([float (s) for s in l[12:22], l[25:35], l[38:48]])
^
SyntaxError: invalid syntax
The write_inwf_lapw script was buggy in versions, such as WIEN2k 17.1
[1], that came before WIEN2k 19.1 as shown on the WIEN2k updates page
[2] by:
*VERSION_19.1: 17.6.2019*
*write_inwf_lapw**:* update for spinpolarization
It is recommended to use WIEN2k 19.2. You may also want to apply the
Dear developer and users,
Hello,
I am performing the DFT calculation using wien2k v17.1.
For Wannierized calculation,
I have a problem.
When run write_inwf_lapw, there is an error message like below,
write_inwf_lapw
File "/home/Programs/wien2k/wien2k_v17.1/intel-18/write_inwf_lapw", line
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