Re: [Phonopy-users] ValueError: invalid literal for int() with base 10: '=2'

[Jing G. <jin...@ma...>]

Thank you very much, Togo and Eugene, I tried what you suggested, it both worked fine. Really appreciate!!

Jing

-----Original Message-----
From: Atsushi Togo <atz...@gm...> 
Sent: 08 March 2023 22:30
To: pho...@li...
Subject: Re: [Phonopy-users] ValueError: invalid literal for int() with base 10: '=2'

In addition to the example of Eugene, –dim=“2 2 2”,

% phonopy -d –dim 2 2 2 -c POSCAR_unitcell

also works if my implementation of phonopy is correct.

Togo


On Thu, Mar 9, 2023 at 1:20 AM Eugene <rog...@ho...> wrote:
>
> Hi,
>
> remove space between --dim and = sign:
>
> phonopy -d –dim= “2 2 2” -c POSCAR_unitcell
>
> On 3/8/23 18:03, Jing Guo wrote:
>
> Hi,
>
>
>
> I was trying to use Phonopy to build a 2*2*2 supercell then I can do phonon calculation in VASP. I already optimized my unit cell structure, then copy CONTCAR into POSCAR, then run: phonopy -d –dim = “2 2 2” -c POSCAR_unitcell. However, I got the error which is shown below. Since I did the similar thing last week using Phonopy,  I don’t know what’s wrong this time and how to fix this. Very appreciate if anyone can give me a hint. Thank you very much.
>
>
>
>
>
> Jing
>
>
>
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-- 
Atsushi Togo


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