@echo off
:echo on

set ProgramsDir=d:\Programs
if not exist "%ProgramsDir%" (
	set ProgramsDir=c:\Programs
)
set PerlDir=%ProgramsDir%\Perl
set ElasticDir=%PerlDir%\ElasticConstant
set TemplateSource=%ElasticDir%\Template
set script=%ElasticDir%\CalElasticConstant.pl
set tee=%ProgramsDir%\bin\ktee.exe -f

set TemplateDir=.\Template

set nStep=5
set nOrder=4

::mode: Cabc, CXYZ, V
set mode=V
set index=1111
:: fdiff = da / a, dV/V
set fdiff=0.01
::engine: gulp, vasp, pwscf
set engine=pwscf
::set engine=gulp
::set engine=vasp

set SampleName=%1
if "%SampleName%" == "" (
	set SampleName=Si
)
set Library=%2
if "%Library%" == "" (
	set Library=IGZO-Morse.lib
)

::Remove extension
set SampleName=%SampleName:.cif=%
set SampleName=%SampleName:.glp=%
set SampleName=%SampleName:.gin=%
set SampleName=%SampleName:.out=%
set SampleName=%SampleName:.axsf=%
set SampleName=%SampleName:.arc=%
set SampleName=%SampleName:.trg=%
set SampleName=%SampleName:.pre=%

@echo on

:perl %script% --Action=MakeInputs    --Mode=%mode% --Index=%index% --nStep=%nStep% --fdiff=%fdiff% %SampleName%.cif ^
:	| %tee% %SampleName%-input.out
:perl %script% --Action=MakeRunScript --Mode=%mode% --Index=%index% --fdiff=%fdiff% --Engine=%engine% %SampleName%.cif ^
:	| %tee% %SampleName%-mkscript.out
:CalculateElasticConstant.bat %SampleName%
perl %script% --Action=cal        --Mode=%mode% --Index=%index% --Engine=%engine% --nOrder=%nOrder% %SampleName%.cif ^
	| %tee% %SampleName%-cal.out

:END