@echo off
echo ******************************
echo **  Quantum ESPRESSO Start  **
echo ******************************
@echo on

cd /d "F:\data\In2O3-Winmostar"

set QEPATH=C:\Program Files\Quantum ESPRESSO 64-bit 5.2.1-mpich2
set MPI="C:\Program Files\MPICH2\bin\mpiexec.exe"
set CMDPW="%QEPATH%\bin\pw.exe"
:set CMDPW=%MPI% -localonly 4 "%QEPATH%\bin\pw.exe"
set CMDBANDS="%QEPATH%\bin\pw.exe"
:set CMDBANDS=%MPI% -localonly 4 "%QEPATH%\bin\pw.exe"
set CMDDOS="%QEPATH%\bin\dos.exe"
set CMDPROJWFC="%QEPATH%\bin\projwfc.exe"
set TEE="C:\winmos8\bin\xtee"

set ESPRESSO_PSEUDO=D:\Programs\Perl\QE\pseudo

%CMDPW% < In2O3.pwin | %TEE% In2O3.pwout

%CMDPW% < In2O3_qe_data\pw_bands.in | %TEE% In2O3_qe_data\pw_bands.out

cd /d In2O3_qe_data

%CMDBANDS% < bands.in | %TEE% bands.out

cd /d ..

%CMDBANDS% < In2O3_qe_data\pw_dos.in | %TEE% In2O3_qe_data\pw_dos.out

cd /d In2O3_qe_data"

%CMDDOS% < "dos.in" | %TEE% dos.out

cd /d ..

cd /d In2O3_qe_data

%CMDPROJWFC% < projwfc.in | %TEE% projwfc.out

cd /d ..

@echo off
echo ******************************
echo **  Quantum ESPRESSO end    **
echo ******************************
echo Exit in 10 seconds.
ping -n 10 localhost > nul