- 06 Sep, 2017 7 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
Conflicts: cdn/cdnval.F90 cdn_mt/cdnmt.f90 cmake/Files_and_Targets.txt eels/corespec_eval.f90 eels/corespec_io.f90 eigen/hsmt_extra.F90 force/geo.f90 global/constants.f global/types.F90 init/bandstr1.F init/postprocessInput.F90 inpgen/atom_input.f io/r_inpXML.F90 io/w_inpXML.f90 main/fleur.F90 main/fleur_init.F90 mpi/mpi_bc_all.F90 tests/CMakeLists.txt wannier/CMakeLists.txt wannier/abcof_small.F wannier/uhu/CMakeLists.txt wannier/uhu/d2fdz2.F wannier/uhu/d2fdz2cmplx.F wannier/uhu/dujdr.F wannier/uhu/wann_uHu.F wannier/uhu/wann_uHu_dmi.F wannier/uhu/wann_uHu_int.F wannier/uhu/wann_uHu_od_vac.F wannier/uhu/wann_uHu_radintsra.F wannier/uhu/wann_uHu_radintsra2.F wannier/uhu/wann_uHu_soc.F wannier/uhu/wann_uHu_vac.F wannier/wann_1dvacabcof.F wannier/wann_2dvacabcof.F wannier/wann_gwf_commat2.f wannier/wann_maxbnd.F wannier/wann_mmk0_od_vac.F wannier/wann_mmkb_int.F wannier/wann_mmkb_od_vac.F wannier/wann_optional.f wannier/wann_orbmag.F wannier/wann_plot.F wannier/wann_plot_um_dat.F wannier/wann_postproc.F wannier/wann_postproc_setup5.F wannier/wann_real.F wannier/wann_rw_eig.F wannier/wann_updown.F wannier/wann_wan90prep.f wannier/wannier.F wannier/wannier_to_lapw.F
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 05 Sep, 2017 4 commits
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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Daniel Wortmann authored
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Daniel Wortmann authored
ef_newton.f (Based on code by M. Heide provided by Gustav)
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- 01 Sep, 2017 1 commit
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Gregor Michalicek authored
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- 31 Aug, 2017 5 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 30 Aug, 2017 4 commits
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Gregor Michalicek authored
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Daniel Wortmann authored
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Daniel Wortmann authored
Added two judft_warn: a) magMom>0 and explicit occupations are given b) the charge generated by the starting density generator has a qfix
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Gregor Michalicek authored
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- 29 Aug, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
This combination does not work at the moment.
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- 28 Aug, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
The bugs were introduced by changes in the code during the integration process.
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- 25 Aug, 2017 1 commit
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Gregor Michalicek authored
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- 24 Aug, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 23 Aug, 2017 1 commit
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Gregor Michalicek authored
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- 22 Aug, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 21 Aug, 2017 1 commit
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Gregor Michalicek authored
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- 18 Aug, 2017 6 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
Also in this commit: Some minor changes to error messages and some additional array allocations in wannier/wannier.F.
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Gregor Michalicek authored
As some parts of the Wannier code rely on JPHs modified Wannier90 libraries wannier4.a and wannier5.a I now differentiate between them and the official version. wannier4.a and wannier5.a are only needed for certain code parts.
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Gregor Michalicek authored
Note: The test does not yet search for such a library.
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