Using VASP

Moderators: Global Moderator, Moderator

New Topic

4302 topics

Page 1 of 216
- Jump to page:
1
2
3
4
5
…
216
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

1018 Views

Last post by admin
Mon Sep 24, 2018 1:44 pm
Issue with electronic convergence of Yb3+ cation (4f valence electrons)

Last post by mateusz_domanski « Tue Sep 21, 2021 4:30 pm

by mateusz_domanski » Tue Sep 21, 2021 4:30 pm

0 Replies

17 Views

Last post by mateusz_domanski
Tue Sep 21, 2021 4:30 pm
Questions about Non-collinear and SOC runs

Last post by hong_tang1 « Tue Sep 21, 2021 3:30 pm

by hong_tang1 » Tue Sep 21, 2021 3:30 pm

0 Replies

31 Views

Last post by hong_tang1
Tue Sep 21, 2021 3:30 pm
Questions about Collinear and Non-collinear runs

Last post by hong_tang1 « Tue Sep 21, 2021 3:24 pm

by hong_tang1 » Tue Sep 21, 2021 3:24 pm

0 Replies

24 Views

Last post by hong_tang1
Tue Sep 21, 2021 3:24 pm
Band Structure Calculation with HSE06 Functional

Last post by KieranSong « Tue Sep 21, 2021 8:12 am

by KieranSong » Tue Sep 21, 2021 8:12 am

0 Replies

26 Views

Last post by KieranSong
Tue Sep 21, 2021 8:12 am
Want to reproduce exact same broken SCF calculation

Last post by ferenc_karsai « Mon Sep 20, 2021 7:37 am
Replies: 1
by ErnekMB » Thu Sep 16, 2021 11:41 pm

1 Replies

33 Views

Last post by ferenc_karsai
Mon Sep 20, 2021 7:37 am
Regarding the computing of optical gap with BSE

Last post by ferenc_karsai « Mon Sep 20, 2021 6:27 am
Replies: 5
by appalakondaiah_samudrala » Tue Aug 24, 2021 1:53 am

5 Replies

282 Views

Last post by ferenc_karsai
Mon Sep 20, 2021 6:27 am
Tkatchenko Scheffler vdW correction in VASP 5.3.3

Last post by yow5110 « Sun Sep 19, 2021 1:41 am
Replies: 8
by ido » Mon Dec 31, 2012 11:23 am

8 Replies

4015 Views

Last post by yow5110
Sun Sep 19, 2021 1:41 am
Temperature keeping increasing in long MD run (100 ps +)

Last post by SKM « Fri Sep 17, 2021 11:39 pm
Replies: 3
by abalone » Fri Apr 08, 2011 9:36 pm

3 Replies

1594 Views

Last post by SKM
Fri Sep 17, 2021 11:39 pm
VASP 5.4.4 Performing Volume + Geometry Optimisations

Last post by charlie_adams « Thu Sep 16, 2021 7:48 am
Replies: 2
by charlie_adams » Wed Sep 15, 2021 10:12 am

2 Replies

50 Views

Last post by charlie_adams
Thu Sep 16, 2021 7:48 am
BSE and GW optical and structure post processing

Last post by SKM « Thu Sep 16, 2021 7:48 am
Replies: 5
by SKM » Sat Sep 04, 2021 12:29 pm

5 Replies

71 Views

Last post by SKM
Thu Sep 16, 2021 7:48 am
Effect of LAMBDA on the total energy

Last post by elise.p.kenny « Wed Sep 15, 2021 11:58 pm

by elise.p.kenny » Wed Sep 15, 2021 11:58 pm

0 Replies

32 Views

Last post by elise.p.kenny
Wed Sep 15, 2021 11:58 pm
Separating Spin-up and Spin-down bands

Last post by KieranSong « Wed Sep 15, 2021 5:10 am
Replies: 2
by KieranSong » Sun Sep 12, 2021 8:48 am

2 Replies

78 Views

Last post by KieranSong
Wed Sep 15, 2021 5:10 am
IBRION=7 and 8 are only supported as VASP.5.1?

Last post by jingyun_ye4 « Fri Sep 10, 2021 4:22 pm
Replies: 2
by jingyun_ye4 » Fri Aug 27, 2021 1:50 am

2 Replies

113 Views

Last post by jingyun_ye4
Fri Sep 10, 2021 4:22 pm
Metadynamics Simulation: How to define collective variables

Last post by gnayak « Wed Sep 08, 2021 9:03 pm
Replies: 5
by psriv » Mon Feb 22, 2016 2:07 pm

5 Replies

3142 Views

Last post by gnayak
Wed Sep 08, 2021 9:03 pm
[VASP 6.2 intel 2020.0] FeAl_333_RPAFORCE fails with 12 tasks with Fatal error in PMPI_Waitall:

Last post by andreas.singraber « Wed Sep 08, 2021 7:35 am
Replies: 2
by thibautvery » Thu Mar 04, 2021 9:41 am

2 Replies

369 Views

Last post by andreas.singraber
Wed Sep 08, 2021 7:35 am
Is the potential for 1/6 and 11/6 pseudo-Hydrogen available?

Last post by kresse_georg « Wed Sep 08, 2021 5:25 am
Replies: 3
by junyi_zhu1 » Tue Aug 31, 2021 9:20 am

3 Replies

100 Views

Last post by kresse_georg
Wed Sep 08, 2021 5:25 am
modelBSE

Last post by ferenc_karsai « Mon Sep 06, 2021 9:20 am
Replies: 3
by laurent_pedesseau1 » Tue Aug 31, 2021 2:49 pm

3 Replies

137 Views

Last post by ferenc_karsai
Mon Sep 06, 2021 9:20 am
Continuing Jobs which haven't completed an ionic step?

Last post by alex « Mon Sep 06, 2021 8:23 am
Replies: 2
by phyc.vasp » Fri Sep 03, 2021 11:56 pm

2 Replies

59 Views

Last post by alex
Mon Sep 06, 2021 8:23 am
Can the GW run be restart from where it stops?

Last post by SKM « Sat Sep 04, 2021 11:43 am
Replies: 4
by SKM » Sun Aug 15, 2021 8:48 am

4 Replies

210 Views

Last post by SKM
Sat Sep 04, 2021 11:43 am

New Topic

4302 topics

Page 1 of 216
- Jump to page:
1
2
3
4
5
…
216
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