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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