Update README.md

VASP/README.md

@@ -4,42 +4,37 @@ Description:
 Presentation
 ------------
 
-This template is just here to show the way that we should present the README for a given application. 
-
-Here I describe that this template is not performing any scientific simulation, and uses no specific library.
+VASP is an atomistic simulation software for the physics/chemistry of materials.
+It solves the Shrödinger equation by using the density functional theory and the Hartree-Fock method, as well as other more advanced methods.
 
 Technical information:
 ----------------------
 
-* website : http://this.url.doesnot.work 
-* Scientific domain : none 
-* Language : C/C++/Fortran/Python
-* Parallelism : MPI + OpenMP
+* website :https://www.vasp.at 
+* Scientific domain : Materials Physics 
+* Language : /Fortran/CUDA
+* Parallelism : MPI + CUDA
 * GPU acceleration : Yes (CUDA) 
 * Scalability : high
-* Vectorization: poor
+* Vectorization: high-level
 
 
 Compilation and simulation:
 ===========================
 
-Here we describe the different phases from the download to the validation of the simulation.
+
 
 Download:
 ---------
 
-Information (if needed) about how to get the sources.
+Sources are available at: https://www.vasp.at
+VASP is copyright-protected software. It is necessary to have an appropriate license to use VASP.
+
 
-For instance:
-```
-./download.sh
-```
 
 Compile:
 --------
 
-Information (if needed) about how to compile the application. 
-
 For instance:
 
 Compile the code using:
@@ -48,7 +43,7 @@ source machines/occigen-bdw/env
 ./compile.sh
 ```
 
-`machines/occigen-bdw/env` contains the information for compilation (module load gcc openmpi lapack hdf5 ...)
+`machines/occigen-bdw/env` contains the information for compilation (module load intel openmpi)
 
 Run and validate the simulation:
 --------------------------------