[Wien] bash script to run initso_lapw for different M-axis

[Gavin Abo]

It is of course recommended to use the latest WIEN2k version because of 
the bugs found since WIEN2k 13.1 [ 
http://susi.theochem.tuwien.ac.at/reg_user/updates/ ].

If you want to leave the code untouched, you could try changing the 
EDITOR line in your .bashrc file (note: remember to open and use a new 
terminal so that it loads and uses the new .bashrc settings).  For 
example, you might have something like:

export EDITOR="gedit"

You could change that line to:

export EDITOR=""

However, this would give you an error messages like:

case.inso: Permission denied.

You could also change that line to:

export EDITOR="noeditor"

This should output error messages like:

noeditor: Command not found.

So you would have to chose which error message you prefer to see.  Since 
you wouldn't be interacting with an editor when using a job script, you 
could just ignore those error messages.

If you don't want the error messages, you would have to edit the 
scripts.  In SRC/make_inso_lapw of WIEN2k 13.1, on line 191, you should see:

editor $file.inso

You could comment it out by changing the line to:

#editor $file.inso

Similarly, line 195:

#editor $filein1

In SRC/initso_lapw, line 196:

#editor $file.outsymso

Line 234 and 266:

#editor $file.klist

Instead of using comment symbols (#), a better way may be to do 
something like:

set editorstate = 0 # 0: Set editor OFF, 1: set editor ON

if ($editorstate) editor $file.inso

However, I cannot test or describe all the changes right now for what 
would be needed for using this alternate set and if statement approach.

On 9/18/2017 5:57 PM, venkatesh chandragiri wrote:
> Dear Prof. Gavin,
>
> Thank you again for the script to create the input for initso_lapw  
> and it works fine now. However, the initso_lapw is asking to edit the 
> following files.
>
> 1. case.inso
>
> 2. case.in1
>
> 3. case.outsymso
>
> 4. case.klist
>
> Hence, kindly let me know (paste the script lines) to avoid the 
> editing of those above files and continue the initso_lapw in 
> background itself.
>
> thank you and looking forward to your reply.
>
> with best regards,
>
> venkatesh
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