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LKPOINTS_WAN

Posted: Sun Oct 12, 2025 2:59 am
by subrata

Hi,
I have a question regarding the use of LKPOINTS_WAN and KPOINTS_WAN

Do these tags work similarly to

LKPOINTS_OPT and KPOINTS_OPT ?

and which step I have to mention it ?

In INCAR.WAN?

Subrata


Re: LKPOINTS_WAN

Posted: Mon Oct 13, 2025 7:05 am
by martin.schlipf

This wiki article may contain some helpful information. KPOINTS_WAN is an optional file and its presence tells VASP that the Wannier bands should be interpolated to these k points. If the file is there and you do not want to use it, you need to set LKPOINTS_WAN = F. Note that you need to use this when your Wannierization is active i.e. LSCDM or LWANNIER90 need to be set.