How to install siesta(DFT code) in ubuntu?


 

Required libraries to download

Siesta-4.1-b4.tar (Try to download upgrade version) with some package

● lapack-3.8.0.tar.gz

● libgridxc-0.8.4.tar

● Xmlf90-1.5.4.tar.gz

● hdf5-1.8.21.tar.bz2

● hdf5-1.10.4.tar.gz

● netcdf-c-4.6.1.tar.gz

● netcdf-c-4.6.2.tar.gz

● netcdf-fortran-4.4.4.tar.gz

● zlib-1.2.11.tar.gz

Steps to install siesta

●First extract the siesta tar file.

●Then through the terminal go to Obj of siesta folder. (i.e$obj )

● $sh ../Src/obj_setup.sh

● Type $cp gfortran.make arch.make

● Type ls, then we saw arch.make file inside obj folder of siesta.

● Finally, type $make

Then we got siesta executable inside Obj folder which is

ready to run.

https://youtu.be/EI1vuPfeLPs

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