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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Phonon spectra from ZG configuration

Last post by nicholas_dimakis1 « Wed Apr 30, 2025 2:53 pm
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by nicholas_dimakis1 » Mon Apr 28, 2025 1:32 am

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How to implement Metadynamics

Last post by fabien_tran1 « Wed Apr 30, 2025 11:57 am
Replies: 3
by mo_salha » Thu Apr 24, 2025 10:56 am

3 Replies

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Last post by fabien_tran1
Wed Apr 30, 2025 11:57 am
Thermal Expansion using MLFF

Last post by ferenc_karsai « Wed Apr 30, 2025 8:37 am
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by Fermi1976 » Tue Apr 22, 2025 7:11 pm

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Last post by ferenc_karsai
Wed Apr 30, 2025 8:37 am
OOM with supercell, vasp_gam

Last post by patrizio_graziosi « Tue Apr 29, 2025 11:27 am
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by patrizio_graziosi » Fri Apr 18, 2025 6:25 am

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Last post by patrizio_graziosi
Tue Apr 29, 2025 11:27 am
Issue about local electric field strength calculation

Last post by xiaocheng_zeng2 « Tue Apr 29, 2025 9:24 am

by xiaocheng_zeng2 » Tue Apr 29, 2025 9:24 am

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Last post by xiaocheng_zeng2
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Issue with charged adsorption energy calculations

Last post by jess_white « Tue Apr 29, 2025 5:19 am

by jess_white » Tue Apr 29, 2025 5:19 am

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Ion Relaxation Failing with Symmetry

Last post by fabien_tran1 « Mon Apr 28, 2025 5:56 pm
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by michael_walkup » Mon Apr 28, 2025 5:01 pm

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Last post by fabien_tran1
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Issue with Imaginary Dielectric Function (BSE Calculation) for 4x4 MoS₂

Last post by shishir1 « Mon Apr 28, 2025 4:22 pm
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by shishir1 » Mon Apr 28, 2025 1:29 pm

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VCA in alloy

Last post by michael_wolloch « Mon Apr 28, 2025 10:11 am
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by kaynat_kalvi » Mon Apr 14, 2025 11:05 am

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Last post by michael_wolloch
Mon Apr 28, 2025 10:11 am
LDMATRIX get different values for vasp_std and vasp_gam

Last post by fabien_tran1 « Sat Apr 26, 2025 9:52 am
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by xin_zhao » Thu Apr 24, 2025 8:47 am

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Last post by fabien_tran1
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How can WAVECAR be saved after every electronic cycle

Last post by KWH « Fri Apr 25, 2025 6:16 pm
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by KWH » Sun Mar 02, 2025 3:56 am

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Fri Apr 25, 2025 6:16 pm
molecular crystal BSE spectra

Last post by fabien_tran1 « Fri Apr 25, 2025 2:30 pm
Replies: 1
by subrata » Fri Apr 25, 2025 10:23 am

1 Replies

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Last post by fabien_tran1
Fri Apr 25, 2025 2:30 pm
Inconsistent structures from vasp and lammps trajectory using MLFF

Last post by andreas.singraber « Thu Apr 24, 2025 12:31 pm
Replies: 9
by suojiang_zhang1 » Mon Apr 14, 2025 10:21 am

9 Replies

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Last post by andreas.singraber
Thu Apr 24, 2025 12:31 pm
Thermal conductivity calculation of light atom containing compounds

Last post by tanmoy_paul « Wed Apr 23, 2025 10:44 am
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by tanmoy_paul » Wed Apr 16, 2025 1:29 pm

6 Replies

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Last post by tanmoy_paul
Wed Apr 23, 2025 10:44 am
Is setting ISYM = 0 recommended for structure optimizations?

Last post by michael_wolloch « Wed Apr 23, 2025 8:21 am
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by asrosen » Thu Apr 10, 2025 8:39 pm

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Last post by michael_wolloch
Wed Apr 23, 2025 8:21 am
Why inner loop and outer loop energy differs by a lot and how to reduce it

Last post by michael_wolloch « Wed Apr 23, 2025 8:10 am
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by mukesh.phy » Wed Apr 16, 2025 5:57 pm

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Last post by michael_wolloch
Wed Apr 23, 2025 8:10 am
Mining an old OUTCAR for ML_AB data?

Last post by andreas.singraber « Wed Apr 23, 2025 7:43 am
Replies: 4
by victor_robinson » Fri Mar 17, 2023 10:18 pm

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Last post by andreas.singraber
Wed Apr 23, 2025 7:43 am
CDW for TaS2 monolayer

Last post by fabien_tran1 « Tue Apr 22, 2025 7:38 pm
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by ahsan_javed » Tue Apr 22, 2025 5:58 pm

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Last post by fabien_tran1
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wannier90.amn files not being produced

Last post by sakidja_577 « Tue Apr 22, 2025 6:50 pm
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by sakidja_577 » Sat Nov 16, 2024 5:05 pm

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Last post by sakidja_577
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