- 30 Nov, 2017 1 commit
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Gustav Bihlmayer authored
with invsatom=0 etc. in case of LDA+U and SOC. Furthermore the i_u counter was reset for more that one atom per type in hsmt_extra.F90. l_lo1 and some fix spin-spiral + LO in pathological cases introduces in vec_for_lo.f90. The "scalar relativistic" energy parameter calculation for LO's was introduced in lodpot.f90. This will change the total energy in some test cases.
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- 05 Oct, 2017 1 commit
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Gregor Michalicek authored
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- 29 Sep, 2017 1 commit
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Gregor Michalicek authored
...also in this commit: Replace multiple definitions of lmaxb by a single constant lmaxU_const.
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- 04 Aug, 2017 1 commit
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Daniel Wortmann authored
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- 12 Jul, 2017 1 commit
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Gregor Michalicek authored
This is not yet tested.
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- 11 Jul, 2017 1 commit
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Daniel Wortmann authored
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- 10 Jul, 2017 1 commit
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Gregor Michalicek authored
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- 07 Oct, 2016 1 commit
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Daniel Wortmann authored
Removed preprocessor switches CPP_SOC, CPP_INVERSION, CPP_APW, CPP_CORE. Only a single fleur executable is built.
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- 29 Jun, 2016 1 commit
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Gregor Michalicek authored
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- 26 Apr, 2016 1 commit
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Markus Betzinger authored
Based on v0.26 hybrid branch
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