Tutorials

Have you installed softwares ?

• No yet ? go to installation page.

For all calculations.

• Change CFPTBL file location of atomci input file from "./CFPTBL" to "/home/you/local/atomci/data/CFPTBL". Shell variable can not be used in atomci input files.

• From

OPEN UNIT=10 FILE=./CFPTBL BINARY STATUS=OLD

• To

OPEN UNIT=10 FILE=/home/you/local/atomci/data/CFPTBL BINARY STATUS=OLD

Boron atom ground state

• B(2Do) calculation.

$ atomci < boron.stdin > boron.stdout

Fluorine atom ground state

• F(2Po) calculation.

$ atgen < f.atg

$ atomci < f.stdin > f.stdout

Fluorine atom ground state of perturbative selection CI (PT-CI)

• After above F(2Po) calculation, in same directory,

$ atgen < fpt.atg

$ atomci < fpt.stdin > fpt.stdout