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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G=0 term in BSE kernel

Last post by kresse_georg « Mon Aug 02, 2021 2:48 pm
Replies: 3
by xiaoming_wang » Wed May 12, 2021 2:17 am

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Last post by kresse_georg
Mon Aug 02, 2021 2:48 pm
LTRIPLET in BSE calculation

Last post by kresse_georg « Mon Aug 02, 2021 12:09 pm
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by yuanchang_li » Sun May 30, 2021 1:33 am

1 Replies

122 Views

Last post by kresse_georg
Mon Aug 02, 2021 12:09 pm
BSE calculations in spin-polarization systems

Last post by kresse_georg « Mon Aug 02, 2021 12:01 pm
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by yuanchang_li » Wed May 19, 2021 7:10 am

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Last post by kresse_georg
Mon Aug 02, 2021 12:01 pm
Information requested on tetrahedral integration bug fix in v6.1.0

Last post by marie-therese.huebsch « Mon Aug 02, 2021 9:55 am
Replies: 3
by mkhorton » Tue Jul 27, 2021 6:10 pm

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Last post by marie-therese.huebsch
Mon Aug 02, 2021 9:55 am
Gamma point energy comparison

Last post by SKM « Mon Aug 02, 2021 8:36 am

by SKM » Mon Aug 02, 2021 8:36 am

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Last post by SKM
Mon Aug 02, 2021 8:36 am
Phonon dispersion from Virtual Crystal Approximation (VCA) Density Functional Theory (DFPT) job

Last post by likith « Fri Jul 30, 2021 1:45 pm

by likith » Fri Jul 30, 2021 1:45 pm

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Last post by likith
Fri Jul 30, 2021 1:45 pm
Negative frequencies

Last post by alex « Thu Jul 29, 2021 3:09 pm
Replies: 13
by madhu_menon2 » Wed Nov 18, 2020 9:30 pm

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Last post by alex
Thu Jul 29, 2021 3:09 pm
Memory requirement for GW step2

Last post by ferenc_karsai « Thu Jul 29, 2021 7:51 am
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by chandra_sarap1 » Mon Jul 26, 2021 4:41 pm

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Last post by ferenc_karsai
Thu Jul 29, 2021 7:51 am
Band Gap Value in Each AIMD Time Step

Last post by marie-therese.huebsch « Wed Jul 28, 2021 10:16 pm
Replies: 3
by KieranSong » Wed Jul 28, 2021 6:40 am

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Last post by marie-therese.huebsch
Wed Jul 28, 2021 10:16 pm
Regarding mBJ/SCAN POTCAR

Last post by marie-therese.huebsch « Wed Jul 28, 2021 3:32 am
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by sdeepmanav » Thu Feb 25, 2021 8:19 pm

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Last post by marie-therese.huebsch
Wed Jul 28, 2021 3:32 am
Reproducing Machine Learning Liquid Si Tutorial

Last post by marie-therese.huebsch « Wed Jul 28, 2021 2:38 am
Replies: 3
by Jatin19k » Tue Jul 27, 2021 6:15 am

3 Replies

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Last post by marie-therese.huebsch
Wed Jul 28, 2021 2:38 am
How to know the valence electron configuration?

Last post by marie-therese.huebsch « Wed Jul 28, 2021 2:27 am
Replies: 4
by linglin » Wed Jul 16, 2008 8:05 am

4 Replies

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Last post by marie-therese.huebsch
Wed Jul 28, 2021 2:27 am
strange behavior of PAW double counting energy

Last post by henrique_miranda « Mon Jul 26, 2021 9:15 am
Replies: 5
by yingma » Sat Jul 17, 2021 5:38 pm

5 Replies

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Last post by henrique_miranda
Mon Jul 26, 2021 9:15 am
Convergence error for semiconductor

Last post by martin.schlipf « Mon Jul 26, 2021 6:22 am
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by ben_howchen1 » Wed Jun 16, 2021 12:30 pm

7 Replies

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Last post by martin.schlipf
Mon Jul 26, 2021 6:22 am
Question about XAS calculation code in VASP6.1

Last post by ferenc_karsai « Mon Jul 26, 2021 4:31 am
Replies: 7
by zhaoru_sun1 » Mon Aug 03, 2020 6:44 am

7 Replies

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Last post by ferenc_karsai
Mon Jul 26, 2021 4:31 am
Optical absorption spectra

Last post by madhu_menon2 « Thu Jul 22, 2021 7:24 pm
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by madhu_menon2 » Thu Jul 22, 2021 3:48 pm

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Last post by madhu_menon2
Thu Jul 22, 2021 7:24 pm
Differences in TOTEN and band gap depending on parallelisation flag

Last post by henrique_miranda « Wed Jul 21, 2021 11:36 am
Replies: 4
by sophie_weber » Sat Jul 17, 2021 11:32 am

4 Replies

50 Views

Last post by henrique_miranda
Wed Jul 21, 2021 11:36 am
K-Point Distance in P4VASP

Last post by henrique_miranda « Tue Jul 20, 2021 8:10 pm
Replies: 3
by rmz4ed » Mon Jul 19, 2021 1:04 pm

3 Replies

55 Views

Last post by henrique_miranda
Tue Jul 20, 2021 8:10 pm
fermi energy in band structure calculation

Last post by henrique_miranda « Mon Jul 19, 2021 2:27 pm
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by decai » Mon Dec 31, 2007 2:07 am

3 Replies

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Last post by henrique_miranda
Mon Jul 19, 2021 2:27 pm

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