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

[Soumyadeep]

Hi Isaiah,

    Yes it works! Thanks you very much.

with best regards
Soumyadeep

On 14-03-2020 11:16, Isaiah Moses wrote:
> 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
>> 
> -------------------------------------------------------------------_______________________________________________
>> Quantum ESPRESSO is supported by MaX
>> (www.max-centre.eu/quantum-espresso [1])
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
> 
> --
> 
> Isaiah Abu Moses
> 
> Physics Department
> Central Michigan University
> United States
> 
> 
> Links:
> ------
> [1] http://www.max-centre.eu/quantum-espresso
> _______________________________________________
> Quantum ESPRESSO is supported by MaX 
> (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users