Installing the Wannier90 Interfaces

Wannier90 has built-in VASP interfaces. VASP 5.4.X can only be connected to Wannier90-v1.2.

Procedure

Use PuTTY to log in to the server as the root user.
Run the following commands to decompress the wannier90-1.2 installation package in the VASP installation directory:
```
cd /path/to/VASP
tar -xvf v1.2.tar.gz
```
Run the following commands to replace make.sys with make.sys.gfort:
```
cd wannier90-1.2
cp config/make.sys.gfort make.sys
```
Run the following command to modify the make.sys file:
1. Open make.sys.
```
vi make.sys
```
2. Press i to enter the insert mode and add the following line to the end of the make.sys file:
```
LIBS = -L/path/to/SCALAPACK -L/path/to/OPENBLAS/lib -lscalapack -lopenblas
```
3. Press Esc, type :wq!, and press Enter to save the file and exit.
Run the following command to perform installation:
```
make wannier lib test
```
The libwannnier.a function library is generated, which needs to be added to the VASP installation and compilation.
Run the following commands to modify the makefile.include file:
1. Open makefile.include.
```
cd /path/to/VASP/vasp-5.4.4
vi makefile.include
```
2. Press i to enter the insert mode and modify the file as follows:
  Modify line 10 as follows:
```
-Duse_shmem -Dtbdyn -DVASP2WANNIER90
```
  Add the following information before line 24:
```
WANNIER90 = /path/to/VASP/wannier90-1.2/libwannier.a
```
  Add the following interface parameter to LLIBS:
```
LLIBS      = $(WANNIER90) -L/path/to/SCALAPACK -lscalapack -L/path/to/SCALAPACK/lib –lopenblas
```
3. Press Esc, type :wq!, and press Enter to save the file and exit.
Run the following command to perform compilation:
```
make all
```

Parent topic: (Optional) Extended Installation