[QE-users] a problem with spline_ps = true
Magdalena Grochowska
m.grochowska at cent.uw.edu.pl
Fri Jan 17 13:51:10 CET 2025
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), 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?
kind regards,
Magda Grochowska-Tatarczak
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250117/dfabe316/attachment.html>
More information about the users
mailing list