On Thu, Sep 10, 2020 at 12:52 AM Hari Paudyal
wrote:
> &system/
> ibrav = 4
> celldm(1) = 5.82
> celldm(3) = 1.14
>
should be
&system
> ibrav = 4
> celldm(1) = 5.82
> celldm(3) = 1.14
>
/
>
Paolo
> When I run ibrav2cell.x; ibrav2cell.x
> I got the following error;
>
> %%%
Hi Paolo,
Thank you for the description.
I have "ib.in" as the following;
&system/
ibrav = 4
celldm(1) = 5.82
celldm(3) = 1.14
When I run ibrav2cell.x; ibrav2cell.x
wrote:
> On Wed, Sep 9, 2020 at 4:09 AM Hari Paudyal
> wrote:
>
> Can anyone help me how to use ibrav2cell.x? It says it
