[QE-users] (no subject)

[Pietro Davide Delugas]

Dear Yasmin

in the output there are these lines

DEPRECATED: no units specified in ATOMIC_POSITIONS card

and
Warning: card K_POINTS(AUTOMATIC) ignored
Warning: card  12 12 12 0 0 0 ignored

which seem to be unrelated to your input
could you check please. It would be also useful to have a look to the 
output of the scf calculation to understand what happened.
Pietro

On 03/19/2019 10:50 AM, yasmin kani wrote:
> when i am running band structure for InSb. i have error "error opening 
> xml data file". i attached my input and output file
>
>
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