Questions about interface with Wannier90
Posted: Tue Sep 19, 2023 7:34 am
Dear VASP developers,
I am using VASP 6.4.2 in interface with wannier90 3.1.0 for CRPA calculations, and I have encountered some issues.
In reference to wiki/index.php/CRPA_of_SrVO3#Downloads , I found a warning 【the VASP2WANNIER90 interface】, What are the specific versions of VASP and Wannier90 software you use for CRPA calculations?
The effective U values are also different, and even using the LOCPROJ tag as input does not achieve the effect of wannier 90 using MLWFs. I also tried to connect vasp 6.3.2 to wannier90 version 3.2/1.2, and the same error was reported.
As for the software interface, in the compilation part, I first obtained the libwannier.a and remake makefile.include file. Below are the contents of make.inc in Wannier90 3.1.0 and makefile.include in VASP 6.4.2. May I ask what the problem is?
I appreciate any help.
Best Wishes,
Jinxun Liu
I am using VASP 6.4.2 in interface with wannier90 3.1.0 for CRPA calculations, and I have encountered some issues.
In reference to wiki/index.php/CRPA_of_SrVO3#Downloads , I found a warning 【the VASP2WANNIER90 interface】, What are the specific versions of VASP and Wannier90 software you use for CRPA calculations?
The effective U values are also different, and even using the LOCPROJ tag as input does not achieve the effect of wannier 90 using MLWFs. I also tried to connect vasp 6.3.2 to wannier90 version 3.2/1.2, and the same error was reported.
As for the software interface, in the compilation part, I first obtained the libwannier.a and remake makefile.include file. Below are the contents of make.inc in Wannier90 3.1.0 and makefile.include in VASP 6.4.2. May I ask what the problem is?
I appreciate any help.
Best Wishes,
Jinxun Liu