[Pw_forum] Error message: "lattice parameter specified twice" in version 5.1.2

[Saeed Kazemiabnavi]

Thanks a lot Flo. You're right. It worked!

Best,

--
Saeed Kazemiabnavi
M.S. Student
Thornton Group
University of Michigan, Ann Arbor

On Wed, May 20, 2015 at 6:11 PM, Florian Brown-Altvater <
altvater at berkeley.edu> wrote:

>  Hi,
> looking at your input file, you specify the lattice parameter twice, just
> like the Error says - once with ABC and the angles, and the second time in
> CELL_PARAMETERS. It probably worked in 5.0.1 because it ignored one of the
> two (or overwrote one with the other). This could be a problem if the two
> are different as it is not obvious which will be used. I assume, this is
> why the new version complains now to not allow any confusion.
>
> Just follow the instructions from
> http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html:
>
> "For ibrav=0 specify the lattice vectors in CELL_PARAMETERS, optionally
> the lattice parameter alat = celldm(1) (in a.u.) or = A (in Angstrom), or
> else it is taken from CELL_PARAMETERS"
>
> And delete or comment out ABC and the angles in &system
> Flo
>
> --
> Florian Brown-Altvater
> PhD Candidate
> Neaton group
> UC Berkeley/LBNL
>
>
>
> Am 20.05.2015 um 15:01 schrieb Saeed Kazemiabnavi:
>
> Hello,
>
>  I have started using QE version 5.1.2. Previously, I have been working
> with version 5.0.1. I was trying to run one of my input files on version
> 5.1.2 but it keeps giving me this error:
>
>  *Error in routine cell_base_init (2):     *
> *lattice parameter specified twice*
>
>  The input file runs on 5.0.1 without any error. Can someone please help
> me resolve this issue? The input and output files are attached.
>
>  Thanks.
>
>  Best,
>
>  Saeed
>
>
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