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Makefile
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Implementation of Fourier interpolation of phonon dvscf
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2020-03-27 10:38:49 +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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Rename module wavefunctions_module to wavefunctions
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2018-07-12 16:11:48 +02:00 |
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add_for_charges.f90
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more changes at the smmothing of beta- and q-funcions
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2017-07-15 23:16:18 +00:00 |
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add_zstar_ue.f90
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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +00:00 |
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add_zstar_ue_us.f90
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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +00:00 |
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addcore.f90
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new interface to fft calls
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2018-01-02 17:45:45 +01:00 |
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adddvhubscf.f90
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DFPT+U: The headers in Hubbard-specific routines were not accurate,
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2019-10-29 13:33:43 +00:00 |
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adddvscf_ph_mag.f90
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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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addnlcc.f90
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full lsda rho conversion
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2019-01-21 12:02:37 +01:00 |
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addnlcc_zstar_eu_us.f90
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full lsda rho conversion
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2019-01-21 12:02:37 +01:00 |
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addusddens.f90
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Interpolation table in G space
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2020-03-12 22:05:47 +01:00 |
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addusddense.f90
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Interpolation table in G space
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2020-03-12 22:05:47 +01:00 |
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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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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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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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alpha2f.f90
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opt_tetra_partialdos frnspin=1
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2019-05-28 09:16:27 +02:00 |
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apply_trev.f90
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Minor changes on apply_trev
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2020-02-03 20:17:37 +01:00 |
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bcast_ph_input.f90
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Implementation of Fourier interpolation of phonon dvscf
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2020-03-27 10:38:49 +00:00 |
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c_bands_ph.f90
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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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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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Last occurrence of h_psiq deleted from phonon. Still present in D3 and GWW.
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2016-06-14 15:46:08 +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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- fix for PGI compiler escape sequence
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2020-02-01 08:35:02 +01:00 |
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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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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +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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Implementation of Fourier interpolation of phonon dvscf
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2020-03-27 10:38:49 +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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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +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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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +00:00 |
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compute_drhous_nc.f90
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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +00:00 |
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compute_dvloc.f90
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new interface to fft calls
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2018-01-02 17:45:45 +01:00 |
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compute_nldyn.f90
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more changes at the smmothing of beta- and q-funcions
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2017-07-15 23:16:18 +00:00 |
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compute_weight.f90
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1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross,
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2018-10-30 16:20:32 +01:00 |
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d2ionq.f90
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New code to compute total energy and phonons in 2D materials by enforcing 2D periodic boundary conditions. Inter-layer Coulomb interaction is truncated. Vacuum space need to be larger than the layer size. Also check phonon example17 and input documentation.
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2017-10-25 10:40:59 +00:00 |
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d2ionq_disp.f90
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reduce the amount of info written to the xdm.dat file
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2019-08-07 15:10:19 +02:00 |
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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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d2nsq_bare.f90
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Removed unused references to ZDOTC and to "exxinit"
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2020-01-09 10:07:39 +00:00 |
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davcio_drho.f90
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MAJOR restructuring of the FFTXlib library
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2017-08-01 20:31:02 +00:00 |
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deallocate_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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deallocate_phq.f90
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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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delta_sphi.f90
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More mp_global cleanup: PHonon, GWW
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2019-01-31 22:09:24 +01:00 |
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dfile_autoname.f90
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xlf syntax is actually the good one
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2013-03-11 10:29:33 +00:00 |
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dfile_star.f90
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More removal of ftau: now is a local variable, obtained from ft, where
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2019-04-08 22:44:53 +02:00 |
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dhdrhopsi.f90
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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +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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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +00:00 |
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dnsq_bare.f90
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More removal of unused references to DDOT
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2020-01-09 15:33:14 +00:00 |
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dnsq_orth.f90
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More mp_global cleanup: PHonon, GWW
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2019-01-31 22:09:24 +01:00 |
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dnsq_scf.f90
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More removal of unused references to DDOT
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2020-01-09 15:33:14 +00:00 |
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do_phonon.f90
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Some corrections needed to pass the tests:
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2020-02-28 16:28:23 +00:00 |
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do_q2r.f90
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Auxiliary file fildyn.0 is never in xml format even if fildyn.N.xml files are
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2020-03-23 21:37:48 +01:00 |
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dpsi_orth.f90
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1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross,
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2018-10-30 16:20:32 +01:00 |
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drho.f90
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define a generic interface for fft_interpolate and move the correspondig routine to FFTXlib
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2018-01-08 23:02:08 +01:00 |
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drhodv.f90
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Update on comments related to the main modifications introduced for the non-collinear magnetic case
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2020-02-04 10:29:36 +01:00 |
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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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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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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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Interpolation table in G space
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2020-03-12 22:05:47 +01:00 |
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dvkb3.f90
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Rename module wavefunctions_module to wavefunctions
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2018-07-12 16:11:48 +02:00 |
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dvpsi_e.f90
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Rename module wavefunctions_module to wavefunctions
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2018-07-12 16:11:48 +02:00 |
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dvpsi_e2.f90
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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +00:00 |
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dvqhub_barepsi_us.f90
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DFPT+U: The headers in Hubbard-specific routines were not accurate,
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2019-10-29 13:33:43 +00:00 |
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dvqhub_barepsi_us2.f90
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DFPT+U: The headers in Hubbard-specific routines were not accurate,
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2019-10-29 13:33:43 +00:00 |
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dvqpsi_us.f90
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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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dvqpsi_us_only.f90
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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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dvscf_interpolate.f90
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Implementation of Fourier interpolation of phonon dvscf
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2020-03-27 10:38:49 +00:00 |
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dvscf_q2r.f90
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Fix bug in dvscf interpolation for serial compilation
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2020-03-28 18:31:10 +09:00 |
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dwfc.f90
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1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross,
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2018-10-30 16:20:32 +01:00 |
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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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Missing initialization to false of new variable loto_2d broke dynmat.x
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2018-03-19 20:43:22 +01:00 |
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dynmat0.f90
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merged the D2 (d2ionq_mm) and XDM (d2ionq_mm) code for the dynamical matrix contribution in ph.x (now: d2ionq_disp)
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2019-08-07 14:24:38 +02:00 |
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dynmat_hub_bare.f90
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The input parameters (for restarting DFPT+U calculations) read_dns_bare
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2019-04-22 16:46:54 +02:00 |
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dynmat_hub_scf.f90
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The input parameters (for restarting DFPT+U calculations) read_dns_bare
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2019-04-22 16:46:54 +02:00 |
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dynmat_us.f90
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Removal of unused variables, added one ONLY
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2020-01-13 12:25:42 +00:00 |
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dynmatcc.f90
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full lsda rho conversion
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2019-01-21 12:02:37 +01:00 |
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dynmatrix.f90
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Some corrections needed to pass the tests:
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2020-02-28 16:28:23 +00:00 |
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ef_shift.f90
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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +00:00 |
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el_opt.f90
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npw should no longer ne used as global variabe
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2017-05-25 14:08:31 +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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EPA method.
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2018-06-13 13:13:46 -07:00 |
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elph_scdft_mod.f90
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nl indexes now in fft type
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2017-12-24 15:43:44 +01:00 |
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elph_tetra_mod.f90
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Electron-Phonon nsigma fix
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2019-10-03 15:06:34 +00:00 |
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elphon.f90
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Implementation of Fourier interpolation of phonon dvscf
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2020-03-27 10:38:49 +00:00 |
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ep_matrix_element_wannier.f90
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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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epa.f90
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Revert "Merge branch 'revert-c25e9f31' into 'develop'"
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2020-02-01 09:14:20 +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
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Change necessary due to recent reorganization.
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2012-08-16 09:08:23 +00:00 |
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find_mode_sym.f90
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Several print format extended to allow more than 999 phonon modes (!)
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2020-03-26 09:23:34 +01:00 |
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fqha.f90
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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
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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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gmressolve_all.f90
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ifdef preprocessor macro refactoring (PHonon package)
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2016-09-14 20:20:07 +00:00 |
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hdiag.f90
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routine h_1psi renamed hs_1psi because this is what it does !
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2018-08-07 20:45:56 +02:00 |
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incdrhous.f90
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nl indexes now in fft type
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2017-12-24 15:43:44 +01:00 |
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incdrhous_nc.f90
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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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init_representations.f90
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Variable "ftau" (fractional translations in FFT grid units) is a source
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2019-04-08 21:19:02 +02:00 |
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initialize_ph.f90
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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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io_dyn_mat.f90
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Small cleanup of unused variables.
|
2015-06-18 14:39:38 +00:00 |
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io_dyn_mat_old.f90
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Removed commented line
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2019-12-08 16:40:52 +00:00 |
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io_pattern.f90
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More ordering of variable definitions
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2015-09-17 08:51:10 +00:00 |
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lambda.f90
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Slightly change the format of the ouput of lambda
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2017-07-25 10:26:52 +00:00 |
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make.depend
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Dependencies updated
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2020-03-31 18:04:08 +02:00 |
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matdyn.f90
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Add loto_disable flag in matdyn.x
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2020-04-05 08:15:55 +00:00 |
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non_scf_ph.f90
|
Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
|
2020-01-29 14:53:00 +01:00 |
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obsolete.f90
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More mp_global cleanup: PHonon, GWW
|
2019-01-31 22:09:24 +01:00 |
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openfilq.f90
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Fix bug in dvscf interpolation for serial compilation
|
2020-03-28 18:31:10 +09:00 |
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pcgreen.f90
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Rename module wavefunctions_module to wavefunctions
|
2018-07-12 16:11:48 +02:00 |
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ph_restart.f90
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Calculation of atomic rho in reciprocal space extracted from routine atomic_rho
|
2018-08-16 16:29:04 +02:00 |
|
phcom.f90
|
Some corrections needed to pass the tests:
|
2020-02-28 16:28:23 +00:00 |
|
phescf.f90
|
1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross,
|
2018-10-30 16:20:32 +01:00 |
|
phonon.f90
|
Revert "Merge branch 'revert-c25e9f31' into 'develop'"
|
2020-02-01 09:14:20 +00:00 |
|
phq_init.f90
|
Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
|
2020-01-29 14:53:00 +01:00 |
|
phq_readin.f90
|
Implementation of Fourier interpolation of phonon dvscf
|
2020-03-27 10:38:49 +00:00 |
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phq_recover.f90
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ch_psi_all.f90 moved to LR_Modules,
|
2016-01-20 08:13:57 +00:00 |
|
phq_setup.f90
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Implementation of Fourier interpolation of phonon dvscf
|
2020-03-27 10:38:49 +00:00 |
|
phq_summary.f90
|
More format extensions
|
2020-03-26 12:24:28 +01:00 |
|
phqscf.f90
|
More format extensions
|
2020-03-26 12:24:28 +01:00 |
|
polariz.f90
|
More removal of index I/O (iunigk)
|
2016-06-13 09:59:33 +00:00 |
|
prepare_q.f90
|
fix ph.x in case qplot=.true. for gamma at iq/=1
|
2019-06-28 11:26:22 +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
|
Implementation of Fourier interpolation of phonon dvscf
|
2020-03-27 10:38:49 +00:00 |
|
psidspsi.f90
|
Rename module wavefunctions_module to wavefunctions
|
2018-07-12 16:11:48 +02:00 |
|
psym_dmag.f90
|
MAJOR restructuring of the FFTXlib library
|
2017-08-01 20:31:02 +00:00 |
|
psym_dmage.f90
|
MAJOR restructuring of the FFTXlib library
|
2017-08-01 20:31:02 +00:00 |
|
psymdvscf.f90
|
MAJOR restructuring of the FFTXlib library
|
2017-08-01 20:31:02 +00:00 |
|
psyme.f90
|
MAJOR restructuring of the FFTXlib library
|
2017-08-01 20:31:02 +00:00 |
|
psyme2.f90
|
MAJOR restructuring of the FFTXlib library
|
2017-08-01 20:31:02 +00:00 |
|
punch_plot_e.f90
|
Phonon (hopefully) fixed
|
2016-01-14 16:10:11 +00:00 |
|
q2qstar.f90
|
New UPF tool and a few minor fixes
|
2019-09-20 12:57:10 +00:00 |
|
q2qstar_ph.f90
|
Cleanup. Repeated software moved to separate routines.
|
2013-01-19 17:20:23 +00:00 |
|
q2r.f90
|
Electron-Phonon nsigma fix
|
2019-10-03 15:06:34 +00:00 |
|
q2trans.f90
|
Electron-Phonon nsigma fix
|
2019-10-03 15:06:34 +00:00 |
|
q2trans_fd.f90
|
More mp_global cleanup: PHonon, GWW
|
2019-01-31 22:09:24 +01:00 |
|
q_points.f90
|
EPA method.
|
2018-06-13 13:13:46 -07:00 |
|
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
|
Optimized tetrahedra for DFPT, contributed by Mitsuaki Kawamura
|
2016-12-23 12:49:16 +00:00 |
|
raman_mat.f90
|
Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
|
2020-01-29 14:53:00 +01:00 |
|
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
|
Forgotten reference to vanished module
|
2017-03-22 20:46:09 +00:00 |
|
read_wfc_rspace_and_fwfft.f90
|
nl indexes now in fft type
|
2017-12-24 15:43:44 +01:00 |
|
rigid.f90
|
Improved robustness of EPW (S. Ponce and C. Verdi)
|
2018-07-01 12:12:38 +01:00 |
|
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
|
Interpolation table in G space
|
2020-03-12 22:05:47 +01:00 |
|
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
|
Misc spelling errors
|
2017-10-25 20:08:57 +00:00 |
|
set_dvscf.f90
|
define a generic interface for fft_interpolate and move the correspondig routine to FFTXlib
|
2018-01-08 23:02:08 +01:00 |
|
set_int12_nc.f90
|
Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
|
2020-01-29 14:53:00 +01:00 |
|
set_irr.f90
|
Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
|
2020-01-29 14:53:00 +01:00 |
|
set_irr_nosym.f90
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Small changes. Do not search symmetry with a single mode calculation, and print
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2012-08-16 08:48:27 +00:00 |
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set_irr_sym.f90
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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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setlocq.f90
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New code to compute total energy and phonons in 2D materials by enforcing 2D periodic boundary conditions. Inter-layer Coulomb interaction is truncated. Vacuum space need to be larger than the layer size. Also check phonon example17 and input documentation.
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2017-10-25 10:40:59 +00:00 |
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solve_e.f90
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Workarounds and fixes for yesterday's commits
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2020-02-29 08:59:35 +01:00 |
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solve_e2.f90
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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +00:00 |
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solve_e_fpol.f90
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Moving some routines from PH to LR_Modules
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2018-08-01 09:24:48 +00:00 |
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solve_e_nscf.f90
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Rename module wavefunctions_module to wavefunctions
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2018-07-12 16:11:48 +02:00 |
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solve_linter.f90
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Update on comments related to the main modifications introduced for the non-collinear magnetic case
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2020-02-04 10:29:36 +01:00 |
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stop_ph.f90
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In order to prefent further trouble, set_mpi_comm_4_solvers and its
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2019-02-27 22:18:23 +01:00 |
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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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swfc.f90
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1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross,
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2018-10-30 16:20:32 +01:00 |
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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
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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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Update on comments related to the main modifications introduced for the non-collinear magnetic case
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2020-02-04 10:29:36 +01:00 |
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sym_dmage.f90
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More removal of ftau: now is a local variable, obtained from ft, where
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2019-04-08 22:44:53 +02:00 |
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sym_dns.f90
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Bugfix in DFPT+U and HP: there was a small bug
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2018-11-29 12:32:02 +01:00 |
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sym_dns_wrapper.f90
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1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross,
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2018-10-30 16:20:32 +01:00 |
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symdvscf.f90
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Update on comments related to the main modifications introduced for the non-collinear magnetic case
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2020-02-04 10:29:36 +01:00 |
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symdyn_munu.f90
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Cleanup. Repeated software moved to separate routines.
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2013-01-19 17:20:23 +00:00 |
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symdynph_gq.f90
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Update on comments related to the main modifications introduced for the non-collinear magnetic case
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2020-02-04 10:29:36 +01:00 |
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syme.f90
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More removal of ftau: now is a local variable, obtained from ft, where
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2019-04-08 22:44:53 +02:00 |
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syme2.f90
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More removal of ftau: now is a local variable, obtained from ft, where
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2019-04-08 22:44:53 +02:00 |
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syme_dns.f90
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Bugfix in DFPT+U and HP: there was a small bug
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2018-11-29 12:32:02 +01:00 |
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symm.f90
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Optimized routine that symmetrizes the matrix of electron-phonon coefficients
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2019-10-03 09:29:03 +00:00 |
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symmorphic_or_nzb.f90
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Ooops ... phonon was broken by my last change
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2019-04-09 10:26:04 +02:00 |
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tra_write_matrix.f90
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1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross,
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2018-10-30 16:20:32 +01:00 |
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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
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2016-01-22 03:00:30 +00:00 |
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transform_int_so.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
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2016-01-22 03:00:30 +00:00 |
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trntnsc.f90
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Misc spelling errors
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2017-10-25 20:08:57 +00:00 |
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write_eigenvectors.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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write_epsilon_and_zeu.f90
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Small cleanup.
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2013-01-07 14:01:51 +00:00 |
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write_hub.f90
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1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross,
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2018-10-30 16:20:32 +01:00 |
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write_matrix.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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write_modes.f90
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Several print format extended to allow more than 999 phonon modes (!)
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2020-03-26 09:23:34 +01:00 |
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write_qplot_data.f90
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Missing copyright.
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2014-01-28 15:25:35 +00:00 |
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write_ramtns.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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write_rec.f90
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define a generic interface for fft_interpolate and move the correspondig routine to FFTXlib
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2018-01-08 23:02:08 +01:00 |
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yambo.f90
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Some general-purpose routines for file and directory handling:
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2018-03-14 21:23:26 +01:00 |
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zstar_eu.f90
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Developments on the PH package routines to implement the calculation of phonon frequencies in the noncollinear magnetic case
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2020-01-29 14:53:00 +01:00 |
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zstar_eu_us.f90
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Workarounds and fixes for yesterday's commits
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2020-02-29 08:59:35 +01:00 |
7d06c9c662