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 <[email protected]> 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: [email protected], [email protected] > > -------------------------------------------------------------------_______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Isaiah Abu Moses Physics Department Central Michigan University United States
run_ecut_edited
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