- Jan 21, 2021
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Manuel Dias authored
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- Jan 18, 2021
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Philipp Rüssmann authored
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- Jan 13, 2021
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Philipp Rüssmann authored
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- Nov 30, 2020
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Philipp Rüssmann authored
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Philipp Rüssmann authored
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- Nov 17, 2020
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Philipp Rüssmann authored
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- Nov 13, 2020
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Philipp Rüssmann authored
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- Nov 12, 2020
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- Nov 03, 2020
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Philipp Rüssmann authored
Now: - <set_cheby_nosoc>= T sets SOCSCL=0 but uses coupled spin channels (e.g. for noncollinear calculations without SOC) - <decouple_spins_cheby>= T assumes that spin channels can be decoupled (collinear, without SOC)
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- Oct 30, 2020
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Philipp Rüssmann authored
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- Oct 23, 2020
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Philipp Rüssmann authored
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Manuel Dias authored
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- Oct 22, 2020
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Philipp Rüssmann authored
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Philipp Rüssmann authored
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Philipp Rüssmann authored
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- Oct 21, 2020
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Philipp Rüssmann authored
- NSIMPLEMIXFIRST>0 activates simple mixing for the first NSIMPLEMIXFIRST if IMIX>3 - SPINMIXQBOUND is the spin mixing threshold after which all angles are assumed to be converged and will be fixed
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- Oct 20, 2020
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Philipp Rüssmann authored
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Philipp Rüssmann authored
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- Oct 08, 2020
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Manuel Dias authored
Bug fix: corrected calculation of spherical angles from the spin moment vectors for the cases theta=0 and pi
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- Oct 07, 2020
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Manuel Dias authored
Changes involving read_angles: -- wunfiles: sets theta, phi and fixdir in t_params, new override with fix_nonco_angles, broadcasts values -- main1a, main1b, main1c, writekkrflex: replaced call to read_angles with assignment from t_params Changes involving fix_nonco_angles: -- wunfiles: used to override fixdir -- rhovalnew: now uses fixdir to decide if the local frame has to be corrected, new angles always computed -- main1c: decides on nonco_angle_out.dat, now always write information on new angles
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- Sep 21, 2020
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Manuel Dias authored
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- Jul 24, 2020
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Philipp Rüssmann authored
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Philipp Rüssmann authored
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- Apr 27, 2020
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Philipp Rüssmann authored
Otherwise from 50x50x50 k mesh on the NofKs number exceeds the field width
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- Mar 31, 2020
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Philipp Rüssmann authored
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- Mar 09, 2020
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Philipp Rüssmann authored
replaces cutoff compared to qbound
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- Oct 10, 2019
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Philipp Rüssmann authored
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- Sep 04, 2019
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Philipp Rüssmann authored
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- Jul 01, 2019
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Philipp Rüssmann authored
By default write out log file only on master rank (activate all ranks with `write_all_ranks` test option)
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- Jun 17, 2019
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Philipp Rüssmann authored
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- Jun 06, 2019
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Philipp Rüssmann authored
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Philipp Rüssmann authored
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- May 15, 2019
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Philipp Rüssmann authored
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- Apr 18, 2019
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Philipp Rüssmann authored
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- Apr 15, 2019
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Philipp Rüssmann authored
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Philipp Rüssmann authored
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- Apr 09, 2019
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Philipp Rüssmann authored
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Philipp Rüssmann authored
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- Mar 18, 2019
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Bernd Zimmermann authored
implemented a sanity check inside clsgen_tb. It verifies if the coupling matrix is indeed block tridiagonal according to the NPRINCD supplied in the inputcard Fixes #116
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