call run Si lib pwscf Vconst 1111 5 4 0.005 0.0
set d=Vconst
mkdir %d%
move *.out %d%
move *.txt %d%
move *.csv %d%

call run Si lib pwscf Vconp 1111 5 4 500 0.0
set d=Vconp
mkdir %d%
move *.out %d%
move *.txt %d%
move *.csv %d%

call run Si lib pwscf Cabc 1111 3 $nStep-1 0.005 0.0
set d=C1111
mkdir %d%
move *.out %d%
move *.txt %d%
move *.csv %d%

call run Si lib pwscf Cabc 1212 3 $nStep-1 0.005 0.0
set d=C1212
mkdir %d%
move *.out %d%
move *.txt %d%
move *.csv %d%

call run Si lib pwscf Cabc 1122 3 $nStep-1 0.005 0.0
set d=C1122
mkdir %d%
move *.out %d%
move *.txt %d%
move *.csv %d%

:END