-
Samuel Poncé authored
Replaced QPeig_read with iuqpeig in io_epw.f90, elphon_shuffle_wrap.f90, pw2wan2epw.f90 Updated alignments and format in epw.f90, epw_readin.f90, loadkmesh.f90, loadumat.f90, kfold.f90 allocate_epwq.f90 ----------------------------------------- 1) - Updated based on PHonon/PH/allocate_phq.f90 2) - dpqq and dpqq_so should be allocated if [okvan .and. (epsil .or. zue .or. l_head)] 2) - Removed int3 and int3_nc allocation from allocate_epwq (they are only used for US) - It should be allocated in some place similar to PHonon/PH/phqscf.f90 or PHonon/PH/elphon.f90? 3) - Moved allocation of nbnd_occ(nks) to epw_setup.f90 as in PHonon/PH/phq_setup.f90 4) - Moved allocation of transp_temp(nstemp) to epw_setup.f90 ========================================= epw_setup.f90 ----------------------------------------- 1) - Updated based on PHonon/PH/phq_setup.f90 2) - Should we remove the lines for lgamma_gamma, alpha_mix, flmixdpot? - I commented out these lines for now and the result seams unchanged. 3) - I think we can also remove the lines where npertx is defined. ========================================= epw_summary.f90 ----------------------------------------- 1) - Updated based on PHonon/PH/phq_summary.f90 2) - Updated alignment ========================================= openfilepw.f90 ----------------------------------------- 1) - Updated based on PHonon/PH/openfilq.f90 2) - Should we remove the lines where dvscf file used to be read? - These lines are commented out. ========================================== epw_init.f90 ------------------------------------------ 1) - Updated based PHonon/PH/phq_init.f90 2) - Removed calls to struc_fact, init_vloc, init_us_1 and gk_sort. - These subroutines are already called in epw_readin.f90 through the call to read_file. CALL read_file (PW/src/read_file_new.f90) -> CALL read_xml_file (PW/src/read_file_new.f90) -> CALL struc_fact (PW/src/struc_fact.f90) -> CALL init_vloc (PW/src/init_vloc.f90) ========================================== dvanqq2.f90 ------------------------------------------ 1) - Updated based on PHonon/PH/dvanqq.f90 and added documentation ========================================== elphon_shuffle_wrap ------------------------------------------ 1) - Updated call to createkmap_pw2 - It seams that xq0 doesn't need to be given in createkmap_pw2(xk_all, nkstot, xq0) since xq0(:) = zero CALL createkmap_pw2(xk_all, nkstot, xq0) and createkmap_pw2 is only called here ========================================== createkmap.f90 ------------------------------------------ 1) - Updated createkmap_pw2 based on ggen subroutine from Modules/recvec_subs.f90 - Removed kmap writing in createkmap_pw2 since this is in fact written in createkmap 2) - Added documentation 3) - Removed the check on xk_cryst since this is already done on xk and the two arrays are the same. refold.f90 ------------------------------------------ 1) - Added documentation 2) - This subroutine could be moved at the end of createkmap.f90 file since it is only called once in createkmap_pw2 ========================================== Update made by Roxana Margine.
bbb38902