-
Notifications
You must be signed in to change notification settings - Fork 142
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
- Loading branch information
1 parent
1254318
commit 274b3b7
Showing
3 changed files
with
33 additions
and
1 deletion.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,31 @@ | ||
WannierTools is written in Fortran90. Eventually, Fortran compiler is required to install it. At present, | ||
we only support the installation on Mac or Linux or other Unix like systems. | ||
|
||
1. Download the package | ||
a. You can download the latest develop branch by using "git clone" | ||
git clone https://github.com/quanshengwu/wannier_tools.git | ||
b. You could also download the release version on page | ||
https://github.com/quanshengwu/wannier_tools/releases | ||
|
||
2. After the download, uncompress it if necessary. The source file is included in the soc/ folder. | ||
The executable binary will be copied to bin/ folder after compilation. There are several examples | ||
in the examples/ folder. The symmetrization module is in the wannhr_symm/ folder which is an | ||
independent python package. | ||
|
||
3. Go into the folder soc/ for the compilation. We prepared several Makefiles for different usage. | ||
Please copy the one that you need into Makefile like | ||
|
||
cp Makefile.intel-mpi Makefile | ||
|
||
|
||
4. Modify Makefile | ||
a. Choose the lapack and Blas library by setting LIBS. | ||
b. if you want to use mpi, please add -DMPI as an option of compiler F90. | ||
|
||
5. Make it by typing | ||
|
||
make | ||
|
||
6. After the compilation, binary wt.x will be generated and copied to ../bin/ folder. | ||
|
||
7. About the usage, please visit website www.wanniertools.com |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -14,6 +14,7 @@ | |
! Jan 25 2015 by Q.S.Wu at ETH Zurich | ||
! version 2.2.1 At EPFL, Switzerland, Sep. 14. 2017 | ||
! version 2.4.0 At EPFL, Switzerland, Aug. 31. 2018 | ||
! version 2.4.1 At EPFL, Switzerland, Oct. 15. 2018 | ||
! [email protected] | ||
! Copyright (c) 2017 QuanSheng Wu. All rights reserved. | ||
!--------+--------+--------+--------+--------+--------+--------+------! | ||
|