[QE-users] a problem with spline_ps = true

[Paolo Giannozzi]

You should inquire with GIPAW developers. As far as I remember, I 
removed it because there was no evidence that it was needed any longer

Paolo

On 1/17/25 14:17, Magdalena Grochowska wrote:
> 	
> 
> Hi!
> Thank you for the reply!
> In all the tutorials I found it says it is necessary for running NMR 
> calculations in GIPAW afterwards, do you know if I can replace it by any 
> other variable, or just remove it?
> 
> kind regards,
> Magda
> 
> pt., 17 sty 2025 o 14:13 Paolo Giannozzi <paolo.giannozzi at uniud.it 
> <mailto:paolo.giannozzi at uniud.it>> napisał(a):
> 
>     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>
>      > <http://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
> 

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216