| .. |
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Makefile
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Phonons with DFT+D2. May or may not work.
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2016-04-02 06:43:47 +00:00 |
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acfdtest.f90
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-npot flag to deal with potential parallelization (recently suppressed) mapped into image parallelization
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2016-03-24 19:14:59 +00:00 |
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add_dkmds.f90
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Moved the variables dpqq and dpqq_so from "phus" to "lrus".
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2016-02-28 13:04:42 +00:00 |
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add_for_charges.f90
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ch_psi_all.f90 moved to LR_Modules,
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2016-01-20 08:13:57 +00:00 |
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add_zstar_ue.f90
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compilation ok with orthogonalize.f90 moved to LR_Modules
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2016-01-19 22:39:03 +00:00 |
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add_zstar_ue_us.f90
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compilation ok with orthogonalize.f90 moved to LR_Modules
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2016-01-19 22:39:03 +00:00 |
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addcore.f90
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Merged the "nlcc_any" of the "nlcc_ph" module with the "nlcc_any" of the "uspp" module.
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2016-02-20 17:16:16 +00:00 |
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adddvscf.f90
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12043 c92efa57-630b-4861-b058-cf58834340f0
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2016-01-21 00:57:35 +00:00 |
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addnlcc.f90
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phonon with vdW-DF/vdw-DF2/rVV10 added.
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2016-04-11 15:40:37 +00:00 |
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addnlcc_zstar_eu_us.f90
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phonon with vdW-DF/vdw-DF2/rVV10 added.
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2016-04-11 15:40:37 +00:00 |
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addusddens.f90
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index of the perturbation moved as las index in int3
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2016-01-20 23:42:39 +00:00 |
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addusddense.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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addusdynmat.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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addusldos.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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allocate_part.f90
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Added a few variables to control the phonon calculation flow.
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2013-01-22 14:45:36 +00:00 |
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allocate_pert.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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allocate_phq.f90
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Moved the variables dpqq and dpqq_so from "phus" to "lrus".
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2016-02-28 13:04:42 +00:00 |
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bcast_ph_input.f90
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Moved the "lrpa" variable from the module "control_ph" to the module "control_lr".
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2016-02-20 17:34:35 +00:00 |
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ccg_psi.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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cch_psi_all.f90
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compilation ok with orthogonalize.f90 moved to LR_Modules
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2016-01-19 22:39:03 +00:00 |
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cgsolve_all_imfreq.f90
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Convert all zdotc to lowercase - may be useful in case preprocessing of zdotc
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2014-05-15 18:16:12 +00:00 |
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check_if_partial_dyn.f90
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module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
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2016-01-20 14:53:42 +00:00 |
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check_initial_status.f90
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A . was missing .AND..NOT.
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2016-02-02 21:03:35 +00:00 |
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check_q_points_sym.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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check_restart_recover.f90
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The recent reorganization of pwscf broke the restart of ph.x inside
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2013-04-17 14:55:50 +00:00 |
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chi_test.f90
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compilation ok with orthogonalize.f90 moved to LR_Modules
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2016-01-19 22:39:03 +00:00 |
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clean_pw_ph.f90
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module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
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2016-01-20 14:53:42 +00:00 |
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clinear.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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close_phq.f90
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Close the iudyn file.
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2014-01-07 16:50:32 +00:00 |
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compute_alphasum.f90
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becp1 variable moved form phus -> lrus
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2016-01-22 01:50:14 +00:00 |
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compute_becalp.f90
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ch_psi_all.f90 moved to LR_Modules,
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2016-01-20 08:13:57 +00:00 |
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compute_becsum_ph.f90
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becp1 variable moved form phus -> lrus
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2016-01-22 01:50:14 +00:00 |
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compute_drhous.f90
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ch_psi_all.f90 moved to LR_Modules,
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2016-01-20 08:13:57 +00:00 |
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compute_drhous_nc.f90
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ch_psi_all.f90 moved to LR_Modules,
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2016-01-20 08:13:57 +00:00 |
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compute_dvloc.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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compute_nldyn.f90
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becp1 variable moved form phus -> lrus
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2016-01-22 01:50:14 +00:00 |
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compute_weight.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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d2ionq.f90
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mp_global substituted with mp_pools, mp_bands, mp_images in the phonon code.
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2014-01-07 15:46:06 +00:00 |
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d2ionq_mm.f90
|
Neither OpenMP nor MPI was properly working in the routine just added. The
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2016-04-02 07:44:22 +00:00 |
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d2mxc.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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davcio_drho.f90
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- separation of fft data type instances and scatter functions in different modules
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2015-10-29 09:08:16 +00:00 |
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deallocate_part.f90
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Added a few variables to control the phonon calculation flow.
|
2013-01-22 14:45:36 +00:00 |
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deallocate_phq.f90
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Moved the variables dpqq and dpqq_so from "phus" to "lrus".
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2016-02-28 13:04:42 +00:00 |
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dfile_autoname.f90
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xlf syntax is actually the good one
|
2013-03-11 10:29:33 +00:00 |
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dfile_star.f90
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module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
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2016-01-20 14:53:42 +00:00 |
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dhdrhopsi.f90
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becp1 variable moved form phus -> lrus
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2016-01-22 01:50:14 +00:00 |
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dielec.f90
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compilation ok with orthogonalize.f90 moved to LR_Modules
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2016-01-19 22:39:03 +00:00 |
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dielec_test.f90
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compilation ok with orthogonalize.f90 moved to LR_Modules
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2016-01-19 22:39:03 +00:00 |
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do_phonon.f90
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Merged espresso-el-ph-to-yambo. Affects only the phonon code. Adds a single
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2015-06-18 11:04:52 +00:00 |
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drho.f90
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becp1 variable moved form phus -> lrus
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2016-01-22 01:50:14 +00:00 |
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drhodv.f90
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ch_psi_all.f90 moved to LR_Modules,
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2016-01-20 08:13:57 +00:00 |
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drhodvloc.f90
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mp_global substituted with mp_pools, mp_bands, mp_images in the phonon code.
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2014-01-07 15:46:06 +00:00 |
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drhodvnl.f90
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becp1 variable moved form phus -> lrus
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2016-01-22 01:50:14 +00:00 |
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drhodvus.f90
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12043 c92efa57-630b-4861-b058-cf58834340f0
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2016-01-21 00:57:35 +00:00 |
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dvanqq.f90
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ch_psi_all.f90 moved to LR_Modules,
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2016-01-20 08:13:57 +00:00 |
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dvkb3.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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dvpsi_e.f90
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Several changes:
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2016-03-19 19:04:05 +00:00 |
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dvpsi_e2.f90
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The phonon "mode" is no longer needed in the input for dv_of_drho. Some documentation.
|
2016-02-21 11:29:59 +00:00 |
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dvqpsi_us.f90
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Merged the "nlcc_any" of the "nlcc_ph" module with the "nlcc_any" of the "uspp" module.
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2016-02-20 17:16:16 +00:00 |
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dvqpsi_us_only.f90
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becp1 variable moved form phus -> lrus
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2016-01-22 01:50:14 +00:00 |
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dyndia.f90
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Misleading printouts "omega(N)=" replaced by "freq (N)=": what is (or should
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2013-02-15 12:22:55 +00:00 |
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dynmat.f90
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Correct reference; added message on presumably incorrect calculation of the
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2016-01-12 16:16:39 +00:00 |
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dynmat0.f90
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Phonons with DFT+D2. May or may not work.
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2016-04-02 06:43:47 +00:00 |
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dynmat_us.f90
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becp1 variable moved form phus -> lrus
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2016-01-22 01:50:14 +00:00 |
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dynmatcc.f90
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Merged the "nlcc_any" of the "nlcc_ph" module with the "nlcc_any" of the "uspp" module.
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2016-02-20 17:16:16 +00:00 |
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dynmatrix.f90
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module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
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2016-01-20 14:53:42 +00:00 |
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ef_shift.f90
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compilation ok with orthogonalize.f90 moved to LR_Modules
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2016-01-19 22:39:03 +00:00 |
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el_opt.f90
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compilation ok with orthogonalize.f90 moved to LR_Modules
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2016-01-19 22:39:03 +00:00 |
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el_ph_collect.f90
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mp_global substituted with mp_pools, mp_bands, mp_images in the phonon code.
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2014-01-07 15:46:06 +00:00 |
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elph.f90
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Added the possibility to give a list of q points in phonon input.
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2013-02-19 10:35:12 +00:00 |
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elphon.f90
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Minor changes for clarity; misplaced comment clarified and moved to a more
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2016-03-13 10:37:22 +00:00 |
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ep_matrix_element_wannier.f90
|
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12043 c92efa57-630b-4861-b058-cf58834340f0
|
2016-01-21 00:57:35 +00:00 |
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find_equiv_sites.f90
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Removed fixed dimensions "nax". Note that this changes the way routine
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2012-11-23 11:02:28 +00:00 |
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find_irrep.f90
|
Change necessary due to recent reorganization.
|
2012-08-16 09:08:23 +00:00 |
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find_mode_sym.f90
|
More ordering of variable definitions
|
2015-09-17 08:51:10 +00:00 |
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fqha.f90
|
Fixes for NAG Fortran compiler -- courtesy of Samuel Poncé and Henry Lambert (Oxford)
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2015-09-22 20:24:28 +00:00 |
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generate_dynamical_matrix_c.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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generate_effective_charges_c.f90
|
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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gmressolve_all.f90
|
mp_global substituted with mp_pools, mp_bands, mp_images in the phonon code.
|
2014-01-07 15:46:06 +00:00 |
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hdiag.f90
|
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
|
incdrhous.f90
|
becp1 variable moved form phus -> lrus
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2016-01-22 01:50:14 +00:00 |
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incdrhous_nc.f90
|
becp1 variable moved form phus -> lrus
|
2016-01-22 01:50:14 +00:00 |
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init_representations.f90
|
module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
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2016-01-20 14:53:42 +00:00 |
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initialize_ph.f90
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ch_psi_all.f90 moved to LR_Modules,
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2016-01-20 08:13:57 +00:00 |
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io_dyn_mat.f90
|
Small cleanup of unused variables.
|
2015-06-18 14:39:38 +00:00 |
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io_dyn_mat_old.f90
|
More consistent communicator.
|
2014-01-28 15:04:23 +00:00 |
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io_pattern.f90
|
More ordering of variable definitions
|
2015-09-17 08:51:10 +00:00 |
|
lambda.f90
|
Conversion factor THz => K (previously 50) icorrected to 47.9924
|
2013-04-29 12:35:38 +00:00 |
|
localdos.f90
|
compilation ok with orthogonalize.f90 moved to LR_Modules
|
2016-01-19 22:39:03 +00:00 |
|
make.depend
|
Phonons with DFT+D2. May or may not work.
|
2016-04-02 06:43:47 +00:00 |
|
matdyn.f90
|
Allow to switch off symmetry and time reversal, by setting nosym=.true.
|
2016-03-09 10:40:20 +00:00 |
|
mix_pot.f90
|
mp_global substituted with mp_pools, mp_bands, mp_images in the phonon code.
|
2014-01-07 15:46:06 +00:00 |
|
mode_group.f90
|
Small corrections to the scripts.
|
2013-01-07 09:39:08 +00:00 |
|
obsolete.f90
|
module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
|
2016-01-20 14:53:42 +00:00 |
|
openfilq.f90
|
ch_psi_all.f90 moved to LR_Modules,
|
2016-01-20 08:13:57 +00:00 |
|
pcgreen.f90
|
compilation ok with orthogonalize.f90 moved to LR_Modules
|
2016-01-19 22:39:03 +00:00 |
|
ph_restart.f90
|
module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
|
2016-01-20 14:53:42 +00:00 |
|
phcom.f90
|
Moved the variables dpqq and dpqq_so from "phus" to "lrus".
|
2016-02-28 13:04:42 +00:00 |
|
phescf.f90
|
Moved the "lrpa" variable from the module "control_ph" to the module "control_lr".
|
2016-02-20 17:34:35 +00:00 |
|
phonon.f90
|
Merged espresso-el-ph-to-yambo. Affects only the phonon code. Adds a single
|
2015-06-18 11:04:52 +00:00 |
|
phq_init.f90
|
EXX with k-point parallelization: removal of a useless variable
|
2016-03-05 15:24:02 +00:00 |
|
phq_readin.f90
|
phonon with vdW-DF/vdw-DF2/rVV10 added.
|
2016-04-11 15:40:37 +00:00 |
|
phq_recover.f90
|
ch_psi_all.f90 moved to LR_Modules,
|
2016-01-20 08:13:57 +00:00 |
|
phq_setup.f90
|
Moved parts of the PHonon code, which compute nbnd_occ and alpha_pv,
|
2016-02-28 10:58:15 +00:00 |
|
phq_summary.f90
|
Moved the "lrpa" variable from the module "control_ph" to the module "control_lr".
|
2016-02-20 17:34:35 +00:00 |
|
phqscf.f90
|
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12043 c92efa57-630b-4861-b058-cf58834340f0
|
2016-01-21 00:57:35 +00:00 |
|
polariz.f90
|
compilation ok with orthogonalize.f90 moved to LR_Modules
|
2016-01-19 22:39:03 +00:00 |
|
prepare_q.f90
|
ch_psi_all.f90 moved to LR_Modules,
|
2016-01-20 08:13:57 +00:00 |
|
prepare_sym_analysis.f90
|
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
|
2011-09-21 13:43:24 +00:00 |
|
print_clock_ph.f90
|
Merged the "nlcc_any" of the "nlcc_ph" module with the "nlcc_any" of the "uspp" module.
|
2016-02-20 17:16:16 +00:00 |
|
psidspsi.f90
|
becp1 variable moved form phus -> lrus
|
2016-01-22 01:50:14 +00:00 |
|
psym_dmag.f90
|
module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
|
2016-01-20 14:53:42 +00:00 |
|
psym_dmage.f90
|
- separation of fft data type instances and scatter functions in different modules
|
2015-10-29 09:08:16 +00:00 |
|
psymdvscf.f90
|
module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
|
2016-01-20 14:53:42 +00:00 |
|
psyme.f90
|
- separation of fft data type instances and scatter functions in different modules
|
2015-10-29 09:08:16 +00:00 |
|
psyme2.f90
|
- separation of fft data type instances and scatter functions in different modules
|
2015-10-29 09:08:16 +00:00 |
|
punch_plot_e.f90
|
Phonon (hopefully) fixed
|
2016-01-14 16:10:11 +00:00 |
|
q2qstar.f90
|
module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
|
2016-01-20 14:53:42 +00:00 |
|
q2qstar_ph.f90
|
Cleanup. Repeated software moved to separate routines.
|
2013-01-19 17:20:23 +00:00 |
|
q2r.f90
|
While fixing a previous bug on xml format I think I introduced a new one
|
2015-10-20 14:36:37 +00:00 |
|
q2trans.f90
|
More cleanup of parallel modules: mp_global no longer contains references to
|
2013-10-27 09:09:10 +00:00 |
|
q2trans_fd.f90
|
- more clean-up about mp call without communicator
|
2013-09-28 23:32:46 +00:00 |
|
q_points.f90
|
mp_global substituted with mp_pools, mp_bands, mp_images in the phonon code.
|
2014-01-07 15:46:06 +00:00 |
|
q_points_wannier.f90
|
mp_global substituted with mp_pools, mp_bands, mp_images in the phonon code.
|
2014-01-07 15:46:06 +00:00 |
|
raman.f90
|
ch_psi_all.f90 moved to LR_Modules,
|
2016-01-20 08:13:57 +00:00 |
|
raman_mat.f90
|
becp1 variable moved form phus -> lrus
|
2016-01-22 01:50:14 +00:00 |
|
ramanm.f90
|
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
|
2011-09-21 13:43:24 +00:00 |
|
random_matrix.f90
|
Small cleanup.
|
2013-01-07 14:48:48 +00:00 |
|
read_wfc_rspace_and_fwfft.f90
|
- separation of fft data type instances and scatter functions in different modules
|
2015-10-29 09:08:16 +00:00 |
|
rigid.f90
|
Modified to calculate the non analitic contributions to the interatomic force constants in the case of a finite displacement calculation
|
2013-04-08 15:24:29 +00:00 |
|
rotate_and_add_dyn.f90
|
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
|
2011-09-21 13:43:24 +00:00 |
|
rotate_dvscf_star.f90
|
Bug fix: problem with clocks.
|
2013-01-07 14:17:02 +00:00 |
|
rotate_pattern_add.f90
|
smallg_q moved in set_small_group_of_q and other small changes.
|
2013-03-27 08:12:35 +00:00 |
|
run_nscf.f90
|
Missing argument can cause crashes and eisenbugs
|
2016-01-26 10:57:59 +00:00 |
|
save_ph_input.f90
|
Harmless bug fix: in some dispersion calculations the symmetry analysis
|
2013-01-07 13:30:36 +00:00 |
|
set_asr_c.f90
|
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
|
2011-09-21 13:43:24 +00:00 |
|
set_drhoc.f90
|
Merged the "nlcc_any" of the "nlcc_ph" module with the "nlcc_any" of the "uspp" module.
|
2016-02-20 17:16:16 +00:00 |
|
set_dvscf.f90
|
The phonon "mode" is no longer needed in the input for dv_of_drho. Some documentation.
|
2016-02-21 11:29:59 +00:00 |
|
set_int12_nc.f90
|
set_dbecsum_nc and set_int3_nc extracted from PHonon/PH/set_int12_nc.f90 and moved to LR_Modules as separated files
|
2016-01-22 03:00:30 +00:00 |
|
set_irr.f90
|
module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
|
2016-01-20 14:53:42 +00:00 |
|
set_irr_nosym.f90
|
Small changes. Do not search symmetry with a single mode calculation, and print
|
2012-08-16 08:48:27 +00:00 |
|
set_irr_sym.f90
|
module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
|
2016-01-20 14:53:42 +00:00 |
|
set_small_group_of_q.f90
|
set_small_group_of_q delated by mistake, restored
|
2016-01-21 16:04:55 +00:00 |
|
setlocq.f90
|
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
|
2011-09-21 13:43:24 +00:00 |
|
sgam_ph.f90
|
smallg_q moved in set_small_group_of_q and other small changes.
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2013-03-27 08:12:35 +00:00 |
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solve_e.f90
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Several changes:
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2016-03-19 19:04:05 +00:00 |
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solve_e2.f90
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The phonon "mode" is no longer needed in the input for dv_of_drho. Some documentation.
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2016-02-21 11:29:59 +00:00 |
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solve_e_fpol.f90
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The phonon "mode" is no longer needed in the input for dv_of_drho. Some documentation.
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2016-02-21 11:29:59 +00:00 |
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solve_e_nscf.f90
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compilation ok with orthogonalize.f90 moved to LR_Modules
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2016-01-19 22:39:03 +00:00 |
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solve_linter.f90
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Several changes:
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2016-03-19 19:04:05 +00:00 |
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star_q.f90
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symmetry workaroud for "Not a group" error that can result
|
2012-10-06 15:03:54 +00:00 |
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stop_ph.f90
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mp_global substituted with mp_pools, mp_bands, mp_images in the phonon code.
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2014-01-07 15:46:06 +00:00 |
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summarize.f90
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Moved the "lrpa" variable from the module "control_ph" to the module "control_lr".
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2016-02-20 17:34:35 +00:00 |
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sym_and_write_zue.f90
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A general cleanup of the files .xml written by ph.x. A first tentative to
|
2013-01-24 17:59:05 +00:00 |
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sym_def.f90
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module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
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2016-01-20 14:53:42 +00:00 |
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sym_dmag.f90
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module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
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2016-01-20 14:53:42 +00:00 |
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sym_dmage.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
|
2011-09-21 13:43:24 +00:00 |
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symdvscf.f90
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module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
|
2016-01-20 14:53:42 +00:00 |
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symdyn_munu.f90
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Cleanup. Repeated software moved to separate routines.
|
2013-01-19 17:20:23 +00:00 |
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symdynph_gq.f90
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Cleanup of the symmetry initialization of the phonon code.
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2012-08-07 16:56:57 +00:00 |
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syme.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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syme2.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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symm.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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symmorphic_or_nzb.f90
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module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
|
2016-01-20 14:53:42 +00:00 |
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tra_write_matrix.f90
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module modes in phcom.f90 split in modes + lr_symm_base in LR_Modules/lrcom.f90
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2016-01-20 14:53:42 +00:00 |
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transform_alphasum_nc.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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2011-09-21 13:43:24 +00:00 |
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transform_alphasum_so.f90
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Cleanup: Array ijtoh used everywhere instead of the function find_ijh.
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2012-01-19 14:23:14 +00:00 |
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transform_int_nc.f90
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set_dbecsum_nc and set_int3_nc extracted from PHonon/PH/set_int12_nc.f90 and moved to LR_Modules as separated files
|
2016-01-22 03:00:30 +00:00 |
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transform_int_so.f90
|
set_dbecsum_nc and set_int3_nc extracted from PHonon/PH/set_int12_nc.f90 and moved to LR_Modules as separated files
|
2016-01-22 03:00:30 +00:00 |
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trntnsc.f90
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PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
|
2011-09-21 13:43:24 +00:00 |
|
write_eigenvectors.f90
|
Misleading printouts "omega(N)=" replaced by "freq (N)=": what is (or should
|
2013-02-15 12:22:55 +00:00 |
|
write_epsilon_and_zeu.f90
|
Small cleanup.
|
2013-01-07 14:01:51 +00:00 |
|
write_matrix.f90
|
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
|
2011-09-21 13:43:24 +00:00 |
|
write_modes.f90
|
Avoid to have two routines with the same name.
|
2013-03-27 09:11:28 +00:00 |
|
write_qplot_data.f90
|
Missing copyright.
|
2014-01-28 15:25:35 +00:00 |
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write_ramtns.f90
|
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
|
2011-09-21 13:43:24 +00:00 |
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write_rec.f90
|
Merged the "nlcc_any" of the "nlcc_ph" module with the "nlcc_any" of the "uspp" module.
|
2016-02-20 17:16:16 +00:00 |
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yambo.f90
|
ch_psi_all.f90 moved to LR_Modules,
|
2016-01-20 08:13:57 +00:00 |
|
zstar_eu.f90
|
compilation ok with orthogonalize.f90 moved to LR_Modules
|
2016-01-19 22:39:03 +00:00 |
|
zstar_eu_us.f90
|
The phonon "mode" is no longer needed in the input for dv_of_drho. Some documentation.
|
2016-02-21 11:29:59 +00:00 |
4bd82d234d