Using VASP

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Last post by admin « Mon Sep 24, 2018 1:44 pm

by admin » Mon Sep 24, 2018 1:44 pm

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Temperature keeping increasing in long MD run (100 ps +)

Last post by SKM « Thu Oct 21, 2021 8:48 am
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by abalone » Fri Apr 08, 2011 9:36 pm

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Last post by SKM
Thu Oct 21, 2021 8:48 am
PROOUT files with spin orbit interactions.

Last post by priyamahadevan « Thu Oct 21, 2021 7:29 am
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by priyamahadevan » Wed Oct 06, 2021 12:48 pm

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Last post by priyamahadevan
Thu Oct 21, 2021 7:29 am
BSE and GW optical and structure post processing

Last post by SKM « Wed Oct 20, 2021 7:26 pm
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by SKM » Sat Sep 04, 2021 12:29 pm

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Wed Oct 20, 2021 7:26 pm
Doping system modeling: virtual crystal approximation (VCA) vs supercell method.

Last post by martin.schlipf « Wed Oct 20, 2021 7:18 pm
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by hszhao.cn@gmail.com » Tue Oct 19, 2021 11:58 am

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Wed Oct 20, 2021 7:18 pm
Is it possible to calculate Exc with a combination of functional in VASP

Last post by martin.schlipf « Wed Oct 20, 2021 6:58 pm
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by jingyun_ye4 » Tue Oct 19, 2021 3:10 pm

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Last post by martin.schlipf
Wed Oct 20, 2021 6:58 pm
Interpretation of reduced KPOINT Set

Last post by rubel « Tue Oct 19, 2021 9:36 am
Replies: 8
by Vasp1a » Thu Sep 30, 2021 1:49 pm

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Last post by rubel
Tue Oct 19, 2021 9:36 am
P4VASP and partial DOS

Last post by hong_tang1 « Thu Oct 14, 2021 10:41 pm

by hong_tang1 » Thu Oct 14, 2021 10:41 pm

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Last post by hong_tang1
Thu Oct 14, 2021 10:41 pm
What is the unit of frequency dependent DIELECTRIC FUNCTION

Last post by tronphy « Wed Oct 13, 2021 5:18 pm

by tronphy » Wed Oct 13, 2021 5:18 pm

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Wed Oct 13, 2021 5:18 pm
How to model an ion or put a charge on an atom

Last post by seba_varghese « Wed Oct 13, 2021 3:50 pm

by seba_varghese » Wed Oct 13, 2021 3:50 pm

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Wed Oct 13, 2021 3:50 pm
Effect of LAMBDA on the total energy

Last post by ferenc_karsai « Wed Oct 13, 2021 8:37 am
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by elise.p.kenny » Wed Sep 15, 2021 11:58 pm

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Last post by ferenc_karsai
Wed Oct 13, 2021 8:37 am
Band Structure Calculation with HSE06 Functional

Last post by KieranSong « Wed Oct 13, 2021 1:56 am
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by KieranSong » Tue Sep 21, 2021 8:12 am

7 Replies

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Last post by KieranSong
Wed Oct 13, 2021 1:56 am
KPOINTS inconsistency in tetragonal body-centered lattice

Last post by ralf_tonner1 « Tue Oct 12, 2021 6:11 pm

by ralf_tonner1 » Tue Oct 12, 2021 6:11 pm

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Last post by ralf_tonner1
Tue Oct 12, 2021 6:11 pm
Questions about Collinear and Non-collinear runs

Last post by hong_tang1 « Mon Oct 11, 2021 2:29 pm
Replies: 11
by hong_tang1 » Tue Sep 21, 2021 3:24 pm

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Last post by hong_tang1
Mon Oct 11, 2021 2:29 pm
Phonon restart option

Last post by andreas.singraber « Mon Oct 11, 2021 10:29 am
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by valln59 » Tue Oct 05, 2021 11:08 pm

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Last post by andreas.singraber
Mon Oct 11, 2021 10:29 am
Problem during ion relaxation

Last post by pooja_gangare « Mon Oct 11, 2021 9:42 am

by pooja_gangare » Mon Oct 11, 2021 9:42 am

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Last post by pooja_gangare
Mon Oct 11, 2021 9:42 am
vasp_ncl for magnetic anisotropy calculation

Last post by andreas.singraber « Mon Oct 11, 2021 7:41 am
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by venkatarohit_punyapu » Thu Oct 07, 2021 12:37 am

1 Replies

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Last post by andreas.singraber
Mon Oct 11, 2021 7:41 am
Slow convergence with hybrid functional

Last post by marie-therese.huebsch « Wed Oct 06, 2021 10:30 am
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by KieranSong » Tue Oct 05, 2021 5:14 am

1 Replies

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Last post by marie-therese.huebsch
Wed Oct 06, 2021 10:30 am
Issue with electronic convergence of Yb3+ cation (4f valence electrons)

Last post by ErnekMB « Tue Oct 05, 2021 9:27 pm
Replies: 4
by mateusz_domanski » Tue Sep 21, 2021 4:30 pm

4 Replies

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Last post by ErnekMB
Tue Oct 05, 2021 9:27 pm
What is dE - revisited

Last post by andreas.singraber « Mon Oct 04, 2021 1:59 pm
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by KWH » Mon Sep 27, 2021 8:25 pm

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Last post by andreas.singraber
Mon Oct 04, 2021 1:59 pm

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