[Pw_forum] how to espress fractional coordinates in quantum espresso input

[stefano de gironcoli]

On 10/02/2016 18:25, Ridwan Agbaoye wrote:
> Good day everybody
>
> I want to do some calculations on a crystal whose atomic coordinates 
> are given in fractional coordinates
>
> How do I convert the fractional coordinates to quantum espresso unit 
> of atomic coordinates
>
you don't need to convert them
> Which flag do I need to use is it (crystal), (alat), (Bohr) or (angstrom)
>
choosing the  "crystal" option the coordinates are interpreted as 
fractional coordinates

stefano

> I appreciate everyone support towards answering questions to educate 
> pwscf users
>
> Agbaoye Ridwan Olamide
> Federal University of Agriculture, Abeokuta
> M.Sc. (in view)
>
>
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