[QE-users] Issue with optimization

[Paolo Giannozzi]

There are multiple errors in your input:
- number of atoms (nat) inconsistent with atom list
- incorrect syntax ("occupationS"), missing data ("degauss")
- missing lattice information (you need a CELL_PARAMETERS card)

On Thu, Sep 6, 2018 at 12:17 AM, Fedaa Nada <fedaaali26 at yahoo.com> wrote:

> Hello,
> I need to I am trying to do structural optimization Ca9(PO4)6
> when I am trying to run the calculation it always gives me error.
> attached the input file
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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