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Releases: MDIL-SNU/AMP2

update of default pseudopotentials

05 Aug 09:52
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  1. Default pseudopotentail of K, Ca and Cs is K_sv, Ca_sv and Cs_sv_GW respectively. They show better convergence in electronic step.
  2. Pr~Lu now uses trivalent pseudopotential which shows more accurate result. If valency is bigger than 3, please use pseudopotential without appendix.

Better algorithm for magnetism

01 Jun 02:45
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  1. Applying ALGO=All in kp & cutoff test. Bad electronic convergence alleviated.
  2. Applying modified Ising model.
  3. CIF parsing rule is changed to accommodate various formats.

v0.9.1

12 Nov 07:50
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fixed relaxation behavior of AMP2, which tries one more relaxation

v0.9.0

07 Oct 09:17
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