[QE-users] How to add U

杨庆 2529455006 at qq.com
Thu Aug 25 04:18:19 CEST 2022


Dear qe users,  Recently,I am meet a problem when add u in QE,hope you can help me!
  I can add U of Fe successfully in pw.x but fail in cp.x when I use peseudo potential of Fe.pbe-sp-van_ak.UPF.
  But when I use the peseudo potential of Fe.pbe-n-rrkjus_psl.1.0.0.UPF,I can add U in both pw.x and cp.x.I do not know how the peseudo potential effect the operate.
Hoping you can give me some advice,Thanks!
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