D.4 Adaption of the Parameter files
- extract the parameters from the <name>_atoms.out file with
grep para <name>_atoms.out and from the output file <name>_setf2.out of the
frequency grid
- if you want to save the parameters you can write them in a file with
grep para <name>_atoms.out > object.out
- the parameter files for PRO2 can be found in /home/<user>/parameter/pro2
- copy the existing parameter files to PARA_<name>.INC, PARA1_<name>.INC,
PARA3_<name>.INC and adjust them by using the parameters from
<name>_atoms.out
NOTICE: the values in the parameter files should never be 0!
- compile with ssh ait320 load pro2 <name> [P4/x64] (use P4 for 32bit machines, x64
for 64bit machines),
the program is created in /home/<user>/bimod/pro2_<name>.Linux_[P4/x64]