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

Soumyadeep soumyadeep at rrcat.gov.in
Sat Mar 14 05:50:38 CET 2020


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
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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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