[Wannier] write out the matrix elements using pw2wannier90.f90

[jiaxu yan]

Dear all,



In order to write out the matrix elements, I try to copy pw2wannier90.f90
(located in wannier90-2.0.0/pwscf/v5.0/) to the PP/src directory of the
quantum-espresso distribution, replacing the file of the same name that is
already there and then compiling pw2wannier90.x as normal. But many errors
occur and anyone can give some help?



*pw2wannier90.f90(85): error #6580: Name in only-list does not exist.
[MPIME]*

*  USE mp_global,  ONLY : mp_startup, mpime, kunit*

*-------------------------------------^*

*pw2wannier90.f90(162): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(ios,ionode_id)*

*-------^*

*pw2wannier90.f90(167): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(outdir,ionode_id)*

*-------^*

*pw2wannier90.f90(168): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(tmp_dir,ionode_id)*

*-------^*

*pw2wannier90.f90(169): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(prefix,ionode_id)*

*-------^*

*pw2wannier90.f90(170): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(seedname,ionode_id)*

*-------^*

*pw2wannier90.f90(171): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(spin_component,ionode_id)*

*-------^*

*pw2wannier90.f90(172): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(wan_mode,ionode_id)*

*-------^*

*pw2wannier90.f90(173): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(wvfn_formatted,ionode_id)*

*-------^*

*pw2wannier90.f90(174): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(write_unk,ionode_id)*

*-------^*

*pw2wannier90.f90(175): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(write_amn,ionode_id)*

*-------^*

*pw2wannier90.f90(176): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(write_mmn,ionode_id)*

*-------^*

*pw2wannier90.f90(178): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(write_uhu,ionode_id)*

*-------^*

*pw2wannier90.f90(179): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(write_uIu,ionode_id) !ivo*

*-------^*

*pw2wannier90.f90(181): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(write_spn,ionode_id)*

*-------^*

*pw2wannier90.f90(182): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(reduce_unk,ionode_id)*

*-------^*

*pw2wannier90.f90(183): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(write_unkg,ionode_id)*

*-------^*

*pw2wannier90.f90(468): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(nnb,ionode_id)*

*-------^*

*pw2wannier90.f90(469): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(kpb,ionode_id)*

*-------^*

*pw2wannier90.f90(470): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(g_kpb,ionode_id)*

*-------^*

*pw2wannier90.f90(471): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(num_bands,ionode_id)*

*-------^*

*pw2wannier90.f90(472): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(n_wannier,ionode_id)*

*-------^*

*pw2wannier90.f90(473): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(center_w,ionode_id)*

*-------^*

*pw2wannier90.f90(474): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(l_w,ionode_id)*

*-------^*

*pw2wannier90.f90(475): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(mr_w,ionode_id)*

*-------^*

*pw2wannier90.f90(476): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(r_w,ionode_id)*

*-------^*

*pw2wannier90.f90(477): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(zaxis,ionode_id)*

*-------^*

*pw2wannier90.f90(478): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(xaxis,ionode_id)*

*-------^*

*pw2wannier90.f90(479): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(alpha_w,ionode_id)*

*-------^*

*pw2wannier90.f90(480): error #6285: There is no matching specific
subroutine for this generic subroutine call.   [MP_BCAST]*

*  CALL mp_bcast(exclude_bands,ionode_id)*

*-------^*

*/tmp/ifortVPTNf3.i90(565): catastrophic error: Too many errors, exiting*

*compilation aborted for pw2wannier90.f90 (code 1)*

*make: *** [pw2wannier90.o] Error 1*



Wayne, Yan

Division of Physics and Applied Physics

School of Physical and Mathematical Sciences

Nanyang Technological University, Singapore
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