Using VASP

Moderators: Global Moderator, Moderator

New Topic

4269 topics

Page 1 of 214
- Jump to page:
1
2
3
4
5
…
214
Next

Topics

Replies

Views

Last post

Forum Posting Guidelines

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

by admin » Mon Sep 24, 2018 1:44 pm

0 Replies

875 Views

Last post by admin
Mon Sep 24, 2018 1:44 pm
strange behavior of PAW double counting energy

Last post by henrique_miranda « Thu Aug 05, 2021 8:57 am
Replies: 7
by yingma » Sat Jul 17, 2021 5:38 pm

7 Replies

113 Views

Last post by henrique_miranda
Thu Aug 05, 2021 8:57 am
LTRIPLET in BSE calculation

Last post by marie-therese.huebsch « Tue Aug 03, 2021 12:31 am
Replies: 2
by yuanchang_li » Sun May 30, 2021 1:33 am

2 Replies

145 Views

Last post by marie-therese.huebsch
Tue Aug 03, 2021 12:31 am
BSE calculations in spin-polarization systems

Last post by marie-therese.huebsch « Tue Aug 03, 2021 12:26 am
Replies: 2
by yuanchang_li » Wed May 19, 2021 7:10 am

2 Replies

148 Views

Last post by marie-therese.huebsch
Tue Aug 03, 2021 12:26 am
Information requested on tetrahedral integration bug fix in v6.1.0

Last post by mkhorton « Mon Aug 02, 2021 9:17 pm
Replies: 4
by mkhorton » Tue Jul 27, 2021 6:10 pm

4 Replies

70 Views

Last post by mkhorton
Mon Aug 02, 2021 9:17 pm
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

3 Replies

227 Views

Last post by kresse_georg
Mon Aug 02, 2021 2:48 pm
Gamma point energy comparison

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

by SKM » Mon Aug 02, 2021 8:36 am

0 Replies

13 Views

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

0 Replies

30 Views

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

13 Replies

983 Views

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
Replies: 1
by chandra_sarap1 » Mon Jul 26, 2021 4:41 pm

1 Replies

46 Views

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

3 Replies

40 Views

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
Replies: 1
by sdeepmanav » Thu Feb 25, 2021 8:19 pm

1 Replies

236 Views

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

65 Views

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

5754 Views

Last post by marie-therese.huebsch
Wed Jul 28, 2021 2:27 am
Convergence error for semiconductor

Last post by martin.schlipf « Mon Jul 26, 2021 6:22 am
Replies: 7
by ben_howchen1 » Wed Jun 16, 2021 12:30 pm

7 Replies

230 Views

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

612 Views

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
Replies: 4
by madhu_menon2 » Thu Jul 22, 2021 3:48 pm

4 Replies

39 Views

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

55 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

59 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
Replies: 3
by decai » Mon Dec 31, 2007 2:07 am

3 Replies

5315 Views

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

New Topic

4269 topics

Page 1 of 214
- Jump to page:
1
2
3
4
5
…
214
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum