Dear Sayandeep Ghosh even if fixed, I would like to ask you to point out what the problem was, as this remains as a reference if people look at the same issue again.
Dear Roberto D'Agosta I am still working on band-unfolding and I was trying to install https://github.com/yw-choi/qe_unfolding as you suggested.
Can you let me know how to install it? As I make the changes in make.inc file, but it is showing multiple errors as follows while compiling the make file.
******
unfold.f90(5): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [CONSTANTS]
USE constants, only: ANGSTROM_AU, eps12
------^
unfold.f90(6): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [KINDS]
USE kinds, ONLY : DP
------^
unfold.f90(7): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MP_GLOBAL]
USE mp_global, ONLY : mp_startup, mp_global_end
------^
unfold.f90(8): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MP_WORLD]
USE mp_world, ONLY : nproc, mpime, world_comm
------^
unfold.f90(9): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MP_POOLS]
USE mp_pools, ONLY : &
------^
unfold.f90(13): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MP]
USE mp, ONLY : mp_bcast, mp_barrier, mp_sum
------^
unfold.f90(14): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [IO_FILES]
USE io_files, ONLY : prefix, tmp_dir, diropn, nwordwfc, iunwfc, restart_dir
------^
unfold.f90(15): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [IO_GLOBAL]
USE io_global, ONLY : ionode, ionode_id, stdout
------^
unfold.f90(16): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [ENVIRONMENT]
USE environment,ONLY : environment_start, environment_end
------^
unfold.f90(18): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [IONS_BASE]
USE ions_base, ONLY : nat, nsp, ityp, tau
------^
unfold.f90(19): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [WVFCT]
USE wvfct, ONLY : nbnd, npwx, et
------^
unfold.f90(20): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [KLIST]
USE klist, ONLY : xk, nkstot, nks, ngk, igk_k
------^
unfold.f90(21): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [PW_RESTART_NEW]
USE pw_restart_new,ONLY : read_collected_wfc
------^
unfold.f90(22): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [WAVEFUNCTIONS]
USE wavefunctions, ONLY : evc
------^
unfold.f90(23): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [GVECT]
USE gvect, ONLY : ngm, g
------^
unfold.f90(24): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [NONCOLLIN_MODULE]
USE noncollin_module, ONLY : npol, noncolin
------^
unfold.f90(25): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [CELL_BASE]
USE cell_base, ONLY: at, alat
------^
unfold.f90(26): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MATRIX_INVERSION]
USE matrix_inversion, only: invmat
------^
unfold.f90(27): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [USPP_PARAM]
USE uspp_param, ONLY : upf
------^
unfold.f90(38): error #6683: A kind type parameter must be a compile-time constant. [DP]
real(dp) :: at_puc(3,3), SC_inv(3,3), SC(3,3)
-------^
unfold.f90(40): error #6683: A kind type parameter must be a compile-time constant. [DP]
real(dp), allocatable :: &
-------^
unfold.f90(46): error #6404: This name does not have a type, and must have an explicit type. [PREFIX]
unfold.f90(49): error #6632: Keyword arguments are invalid without an explicit interface. [START_IMAGES]
CALL mp_startup ( start_images = .false. )
--------------------^
unfold.f90(62): error #6404: This name does not have a type, and must have an explicit type. [IONODE]
IF ( ionode ) THEN
-------^
unfold.f90(62): error #6341: A logical data type is required in this context. [IONODE]
IF ( ionode ) THEN
-------^
unfold.f90(68): error #6404: This name does not have a type, and must have an explicit type. [TMP_DIR]
tmp_dir = trimcheck (outdir)
----^
unfold.f90(68): error #6303: The assignment operation or the binary expression operation is invalid for the data types of the two operands. [TRIMCHECK]
tmp_dir = trimcheck (outdir)
--------------^
unfold.f90(72): error #6404: This name does not have a type, and must have an explicit type. [IONODE_ID]
CALL mp_bcast (ios, ionode_id, world_comm )
----------------------^
unfold.f90(72): error #6404: This name does not have a type, and must have an explicit type. [WORLD_COMM]
CALL mp_bcast (ios, ionode_id, world_comm )
---------------------------------^
unfold.f90(87): error #6406: Conflicting attributes or multiple declaration of name. [UPF]
any_uspp = any(upf(1:nsp)%tvanp)
-----------------^
/tmp/ifortjT009u.i90(245): catastrophic error: Too many errors, exiting
looking again at the errors reported during the compilation, it seems like qe_unfolding is not finding the compiled Quantum Espresso distribution. Normally, the codes extending QE are compiled in the same folder as the main code since they use some of the modules of the original distribution.
I would then put the qe_unfolding source into the QE directory tree and eventually check in the make.inc to see if there are variables that need setting to point at the right folders.