[Wien] Cu(111) slab: Initialize calculation

[B. Yanchitsky]

>   First thanks for kindly reproduce my certain steps.
> I do get exactly the same structure as yours after nn,
> sgroup, symmetry. The problem I have is to get empty
> .in0_st, .in1_st, .inc_st  files when using this structure
> file to run lstart. Those seem-to-be-abnormal empty files
> turn out to result in an error on running dstart.
>   Could you also run lstart (perhaps all the way to dstart
> after it) and see whether the same problems occur or not?

I had been following up to the end of init_lapw including dstart
without problems, also I'd tried both init_lapw + linux console and
w2web, both cases are without problems. It looks that your problem
might be in using invalid inst file or something like that. A trivial solution
which i'm able to propose is to clean directory and keep single valid
struct file after nn, sgroup, symmetry, use instgen and try again init_lapw
with correct struct and inst files only.
 
>   By the way, could you also look into my other question
> regarding how to determine the k-points and band index
> corresponding to a particular surface band (post right
> before this question).
> 

Sorry, I don't have experience with surface calculations.

Regards,
Bogdan