第一原理分子動力学プログラム STATE Senri Wiki

Preliminary †

To begin with, let us copy the tar ball and expand it in your home directory as follows:

$ cp ~teac21/STATE/archives/state-cmd34.tgz .

Then extract STATE by performing:

$ tar zxvf state-cmd34.tgz

and remove the tar ball:

$ rm state-cmd34.tgz

The structure of the source code is as follows (go to the STATE directory and type "ls")

arch/  build/  example/  gncpp/  README  src/  util/

• arch/ contains include files for Makefile
• build/ is the directory used to build STATE
• example/ contains the example input and output files
• gncpp/ contains the pseudopotentials
• util/ contains utility programs.

In this example, all the programs are ready-to-use, but if you'd like to use STATE on your own platform, you need to compile it by yourself.