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