[Wien] New installation of W2k

[Peter Blaha]

When you use   init_lapw in sequential mode, it asks many questions at 
each step. In one of the steps you were asked to copy the generated 
input files and you probably did not say yes at that point.

In any case, I recommend to run

x nn    (or setrmt case);  x sgroup; x symmetry
to check the symmetry and correctness of your struct file. Once this has 
passed without errors, initialize in batch mode:

init_lapw -h  (for options)
init -b -.....

Check the output on the screen for problems.
If necessary you can repeat this command with different options.

Regards

Am 25.05.2020 um 08:05 schrieb Arthur H. Edwards:
> Prof Blaha:
> 
> Thanks very much for such a quick response.l I was using the command line. Specifically, Iused init_lapw starting with the .struct file I'm attaching. I didn't modify any of the files that resulted from the various sub processes. I woild be glad to send anything else you might find useful.
> 
> Art Edwards
> 
> 
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-- 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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