[Wien] problem with w2w

[Gavin Abo]

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 run the command: x -h w2w

It gives in the output:

x w2w [-up/-dn -c -so -p]

This partially indicates that is running an x_lapw that should contain 
the w2w code.

On 7/21/2015 3:02 PM, Patrik Wealth wrote:
>
> 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, it runs kgen and also find_bands but it 
> skips write_w2win and jumps to the next steps which are write_win and 
> wannier90.x -pp and finishes here without going to write_w2wdef. SO 
> two files (case.w2win and w2w.def) are missing.
>
> I checked the compile message in 'SRC_w2w/compile.msg'. It does not 
> have any error, there is only the following warning:
> make: warning:  Clock skew detected.  Your build may be incomplete.
>
> where does it go wrong?
>
> Thanks again
> Patrik
>
>
> From: *Gavin Abo* <gsabo at crimson.ua.edu <mailto:gsabo at crimson.ua.edu>>
> Date: Tue, Jul 21, 2015 at 5:34 PM
> Subject: Re: [Wien] problem with w2w
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at 
> <mailto:wien at zeus.theochem.tuwien.ac.at>>
>
>
> 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
>
> You mentioned that you ran the command: w2w.
>
> Did you launch w2w with the x command: x w2w?
>
> The x is important, because it is a link to the x_lapw script that 
> should create the w2w.def file.  Check for the w2w.def file, does it 
> exist, is it non-empty, and does it have read permissions?
>
>
> On 7/21/2015 3:15 AM, Patrik Wealth wrote:
>> 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 GaAs (namely, creating the bulk bandstructure with wien2k, 
>> preparing a separate directory,
>> running init_w2w and running lapw1 again) without any problem.
>>
>> Does anyone know where the problem is or at least point me in the 
>> right direction?
>> By the way, lapw1.def file has been created, if this is the mentioned 
>> definition file.
>> I appreciate any help.
>>
>> Thanks in advance
>> Patrik
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