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  • 1 (2019-08-01 (木) 12:12:55)
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  • 5 (2020-07-23 (木) 16:33:42)

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Preliminaries †

Obtaining the code †

STATE is not (yet) in the public domain and please ask developers for the latest version of the code (5.6.5 or later).

Compilation †

In this tutorial, we put source code, pseudopotentials, and data in the following directories

• ${HOME}/STATE/src
• ${HOME}/STATE/gncpp
• ${HOME}/STATE/outs

and we are going to use the version 5.6.6 of STATE (state-5.6.6.tgz).
copy the source code in the source directory (STATE/src) as

> cp /somewhere/state-5.6.6.tgz .

Untar the source code

> tar zxf state-5.6.6.tgz

and get the source directory state-5.6.6/ in the current directory. Then change directory

> cd state-5.6.6/src

and prepare Makefile (copy or make symbolic link to an appropriate hader file for Makefile)

> ln -s ../arch/make.arch.intel_smith make.arc

After editing "make.arch" as appropriate, type make

> make

to get the executable ("STATE").
Further, to generate utility programs, go to the utility directory

> cd ../util

Edit "make.inc" according to your environment and type make

> make

then the programs are installed in the util/bin directory.

Setup †

It is better to set a path to the utility programs. To do so, edit the .bashrc in the home directory and add the following line

PATH=${PATH}:${HOME}/STATE/src/state-5.6.6/util/bin

and type

> source ~/.bashrc