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 and the same text as your
error on line 58:
username@computername:~$ cd ~/WIEN2k17.1
username@computername:~/WIEN2k17.1$ sed -n 29p write_inwf_lapw
__version__ = "$version: v1.0.0-273-gaf9ce6b$"
username@computername:~/WIEN2k17.1$ sed -n
58p write_inwf_lapw
return np.array([float (s) for s in l[12:22], l[25:35], l[38:48]])
In WIEN2k_19.2, you should see write_inwf_lapw is version
2.0.0 and line 58 has different text:
username@computername:~/WIEN2k17.1$ cd ~/WIEN2k19.2
username@computername:~/WIEN2k19.2$ sed -n 28p write_inwf_lapw
__version__ = "$version:
v2.0.0-7-g4c51be8$"
username@computername:~/WIEN2k19.2$ sed -n
58p write_inwf_lapw
def readloro():
You may want to check that WIENROOT in your .bashrc file is set to your WIEN2k_19.2 installation directory:
username@computername:~/WIEN2k19.2$ grep WIENROOT= ~/.bashrc
export WIENROOT=/home/username/WIEN2k19.2
If it is set as intended, you might also check that it has been set in your environment:
username@computername:~/WIEN2k19.2$ echo $WIENROOT
/home/username/WIEN2k19.2
If the environment is not showing the change after you have saved the new WIEN2k installation directory path in .bashrc, you may need to execute "source ~/.bashrc", or restart the terminal or computer.
On 12/28/2020 4:05 AM, Abhijit B K wrote:
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
I would be grateful if someone could help me with this bug.
Best wishes,
Abhijit
PS: I followed the [1] and [3] in the following recommendation but the error persists.
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