[QE-users] How to define multiplication in QE job script

[Isaiah Moses]

Hi Soumyadeep,

This edited one should work, provided your script (without the ecutrho) was
okay.

My regards,
Isaiah

On Sat, Mar 14, 2020 at 12:51 AM Soumyadeep <soumyadeep at rrcat.gov.in> wrote:

> Dear All,
>
>     My query is regarding how to multiply any integer in any variable on
> quantum espresso job script.
>
>     Suppose during convergence test I define ecut as variable "alat" and
> put multiple values in it (see attached script). Now how modify ecutrho
> = 8*$alat in each step. Only ecutrho = 8*$alat gives an error. Kindly
> help.
>
> with many thanks and best regards
> Soumyadeep
> -------------------------------------------------------------------
> Soumyadeep Ghosh,
> Senior Research Fellow,
> Homi Bhabha National Institute (HBNI),
> Raja Ramanna Centre for Advanced Technology, Indore, India-452013
> Mob: (+91)9424664553
> User Lab: 0731244-2580
> Email: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
>
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-- 
Isaiah Abu Moses
Physics Department
Central Michigan University
United States
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