Vasp

Before we do it, we assume that Intel oneapi toolkit has been correctly installed and activated using source /opt/intel/oneapi/setvars.sh. Installation using Intel oneapi toolkit Show the file structure of the vasp package $ tree -L 1 . ├── arch ├── bin ├── build ├── makefile ├── makefile.include ├── README.md ├── src ├── testsuite └── tools 7 directories, 3 files Copy the makefile_include given in the arch directory to the top directory....