Re: [QE-users] the number of k points in output file is different with that in input file

2025-09-02 Thread Pietro Davide Delugas
instead of nscf. Pietro From: users on behalf of 半城烟沙 via users Sent: Saturday, August 30, 2025 14:29 To: users Subject: [QE-users] the number of k points in output file is different with that in input file Dear, I do the nscf calculation with the uniform k m

Re: [QE-users] the number of k points in output file is different with that in input file

2025-09-02 Thread SIDDHARTH SASTRI .
This relates to the nosym parameter in the NSCF input file. The default value is false, but setting nosym = .TRUE. should solve your problem. On Sat, Aug 30, 2025 at 6:01 PM 半城烟沙 via users < users@lists.quantum-espresso.org> wrote: > Dear, > I do the nscf calculation with the uniform k mesh. The

[QE-users] the number of k points in output file is different with that in input file

2025-08-30 Thread ???????? via users
Dear, I do the nscf calculation with the uniform k mesh. The k points is generated via kmesh.pl and the command is 'kmesh.pl 5 5 3'. And then the generated 75 k points is used to do nscf calculation. However, the number of k points in the output file is 99, which is different with that in input