Create

We can get the code from:

git clone https://github.com/fireball-QMD/create/

We compile to obtain create.x.

cd create/cprogs/
make
cd ..

We download the wave functions and the pseudopotentials.

wget https://fireball-qmd.github.io/Si/Si_01.tar.gz

tar -xvf Si_01.tar.gz

ls
cinput  coutput  cprogs  create.com  create.input ...

Move the files inside cinput.

mv Si_01/* cinput/
mv cinput/Si.input .

ls cinput
014_560.na1  014_560.wf1  014_640.na0  014_640.na2 ...

Check the input files.

cat Si.input
Si
014
28.09
cinput/014.pp
cinput/014_640.na0
2
0
1.00
5.60
cinput/014_560.wf1
cinput/014_560.na1
1
3.00
6.40
cinput/014_640.wf2
cinput/014_640.na2
1
0.5
0.25 0.25 0.25 0.25 0.25 0.25

We only want to obtain the interactions of one element

$ cat create.input
  1                             nspec=Number of species
  Si.input

We run create

$ ./create.com

And we obtain the interactions.

$ ls coutput/
bcna_01_00.14.14.14.dat  den3_02_01.14.14.14.dat  ...