Using VASP
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Last post by admin
Mon Sep 24, 2018 1:44 pm
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Last post by martin.schlipf
Thu Sep 29, 2022 12:33 pm
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Last post by mturiansky
Thu Sep 29, 2022 3:34 am
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Last post by wwlphys
Thu Sep 29, 2022 2:42 am
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The forces are not converged though the energy minimization occoured within the max mentioned NSW steps
by aniket_singha » Tue Sep 27, 2022 8:47 pm - 1 Replies
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Last post by martin.schlipf
Wed Sep 28, 2022 11:38 am
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Last post by guanzhi_li
Tue Sep 27, 2022 11:36 pm
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Selectively turning on spin-orbit coupling for particular atoms?
by srdjan_stavric1 » Mon Sep 26, 2022 7:12 pm - 2 Replies
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Last post by srdjan_stavric1
Tue Sep 27, 2022 3:10 pm
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Last post by abdul_jaleel1
Tue Sep 27, 2022 1:24 pm
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Last post by rishikanta_m
Tue Sep 27, 2022 9:02 am
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Last post by ferenc_karsai
Mon Sep 26, 2022 1:01 pm
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Last post by martin.schlipf
Mon Sep 26, 2022 12:58 pm
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Last post by ferenc_karsai
Mon Sep 26, 2022 10:34 am
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Negative band occupation with tetrahedron method with blöchl corrections
by IBRAHIM » Mon Sep 19, 2022 1:24 am - 3 Replies
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Last post by ferenc_karsai
Mon Sep 26, 2022 9:27 am
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cRPA calculations with q=0 k-p theory corrections (WAVEDER yes / no)
by the-hampel » Thu Sep 22, 2022 2:12 pm - 1 Replies
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Last post by merzuk.kaltak
Mon Sep 26, 2022 8:27 am
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Last post by asiyeh_shokri2
Mon Sep 26, 2022 7:45 am
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Last post by tisita_das
Mon Sep 26, 2022 6:53 am
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Last post by ferenc_karsai
Mon Sep 26, 2022 6:33 am
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Last post by ferenc_karsai
Fri Sep 23, 2022 1:43 pm
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Isn't it strange even after EDIFFG is satisfied the run continues?
by SKM » Thu Sep 22, 2022 2:19 am - 1 Replies
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Last post by ferenc_karsai
Fri Sep 23, 2022 1:22 pm
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Inconsistency in magnetic moment convergence as a function of k-point mesh
by sophie_weber » Thu Sep 22, 2022 3:45 pm - 0 Replies
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Last post by sophie_weber
Thu Sep 22, 2022 3:45 pm
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