Tutorials
Have you installed softwares ?
Have you installed softwares ?
No yet ? go to installation page.
For all calculations.
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
Boron atom ground state
B(2Do) calculation.
$ atomci < boron.stdin > boron.stdout
Fluorine atom ground state
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)
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