set ProgramsDir=d:\Programs
if not exist %ProgramsDir% (
	set ProgramsDir=c:\Programs
)
set TkPerlDir=%ProgramsDir%\Perl
set ECPath=%TkPerlDir%\ElasticConstant
set FPPath=%ECPath%\FrozenPhonon.pl
set tee=%ProgramsDir%\bin\ktee.exe -f

set Sample=ZnO
:set Mode=vib
set Mode=vib11
:set iAtom=2
:set iAtom=(0.5,0.5,0.5)
set iAtom=O
set xdiff=0.02
set nStep=9
set nOrder=6

perl %FPPath% --Action=MakeInputs    --Engine=vasp --Mode=%Mode% --iAtom=%iAtom% ^
	--xdiff=%xdiff% --nStep=%nStep% --nOrder=%nOrder% %Sample%.cif | %tee% out_input.txt
:perl %FPPath% --Action=MakeRunScript --Engine=vasp --Mode=%Mode% --iAtom=%iAtom% ^
:	--xdiff=%xdiff% --nStep=%nStep% --nOrder=%nOrder% %Sample%.cif | %tee% out_script.txt
:CalculateFrozenPhonon.bat
perl %FPPath% --Action=cal           --Engine=vasp --Mode=%Mode% --iAtom=%iAtom% ^
	--xdiff=%xdiff% --nStep=%nStep% --nOrder=%nOrder% %Sample%.cif | %tee% out_cal.txt