[QE-users] a problem with spline_ps = true
Paolo Giannozzi
paolo.giannozzi at uniud.it
Fri Jan 17 14:13:17 CET 2025
On 1/17/25 13:51, Magdalena Grochowska wrote:
> Hi!
>
> I am new to Quantum Espresso, and I wanted to run some basic NMR
> calculations using GIPAW. I have QE xersion 7.3.1, and GIPAW seemed to
> have been installed properly (?)
> However, when I try to run any of the examples provided in GIPAW folder
> (let's say quartz, so the command I use is pw.x -i quartz-scf.in
> <http://quartz-scf.in>), I encounter the following error:
>
> Error in routine read_namelists (1):
> bad line in namelist &system: " spline_ps = .true." (error
> could be in the previous line)
>
> Do you know what the problem might be?
variable "spline_ps" does not exist any longer
Paolo
>
> kind regards,
> Magda Grochowska-Tatarczak
>
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
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