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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worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians
worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
