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 /source/directory/state-5.6.6.tgz .

where ">" indicates the command prompt.
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
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Last-modified: 2019-09-04 (水) 15:48:55 (79d)