Using VASP

Moderators: Global Moderator, Moderator

New Topic

5246 topics

Page 1 of 263
- Jump to page:
1
2
3
4
5
…
263
Next

Topics

Replies

Views

Last post

Posting guidelines

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

by admin » Mon Sep 24, 2018 1:44 pm

0 Replies

76416 Views

Last post by admin
Mon Sep 24, 2018 1:44 pm
Convergence issues with CI-NEB/NEB calculation in VASP

Last post by marie-therese.huebsch « Tue Sep 17, 2024 5:50 am
Replies: 1
by nuha_sahir » Mon Sep 16, 2024 10:26 am

1 Replies

488 Views

Last post by marie-therese.huebsch
Tue Sep 17, 2024 5:50 am
excited state optimization

Last post by marie-therese.huebsch « Tue Sep 17, 2024 5:33 am
Replies: 1
by aijitha_john » Tue Sep 17, 2024 5:25 am

1 Replies

171 Views

Last post by marie-therese.huebsch
Tue Sep 17, 2024 5:33 am
terminated SCF calculations

Last post by marie-therese.huebsch « Fri Sep 13, 2024 11:37 am
Replies: 1
by danish_javed » Thu Sep 12, 2024 10:34 am

1 Replies

2799 Views

Last post by marie-therese.huebsch
Fri Sep 13, 2024 11:37 am
Mining an old OUTCAR for ML_AB data?

Last post by jianxiang_lian « Thu Sep 12, 2024 1:35 pm
Replies: 3
by victor_robinson » Fri Mar 17, 2023 10:18 pm

3 Replies

3918 Views

Last post by jianxiang_lian
Thu Sep 12, 2024 1:35 pm
constrained distance during structurl optimization

Last post by support_vasp « Thu Sep 12, 2024 9:06 am
Replies: 1
by ipek » Mon Sep 01, 2014 7:40 pm

1 Replies

3787 Views

Last post by support_vasp
Thu Sep 12, 2024 9:06 am
Problem in electronic iterations convergence

Last post by support_vasp « Thu Sep 12, 2024 9:06 am
Replies: 1
by zahra » Mon Sep 01, 2014 1:21 am

1 Replies

3549 Views

Last post by support_vasp
Thu Sep 12, 2024 9:06 am
Meaning of projected-DOS for LDA+U+SOC calculation

Last post by support_vasp « Thu Sep 12, 2024 9:06 am
Replies: 1
by jhbyouni » Thu Jul 10, 2014 3:59 am

1 Replies

3741 Views

Last post by support_vasp
Thu Sep 12, 2024 9:06 am
unable to constrain moments

Last post by support_vasp « Thu Sep 12, 2024 9:06 am
Replies: 1
by tsmidt » Tue Jul 08, 2014 4:44 am

1 Replies

3245 Views

Last post by support_vasp
Thu Sep 12, 2024 9:06 am
meta-GGA INCAR file

Last post by support_vasp « Thu Sep 12, 2024 9:05 am
Replies: 1
by giacomo giorgi » Tue Jul 08, 2014 3:09 am

1 Replies

4435 Views

Last post by support_vasp
Thu Sep 12, 2024 9:05 am
Range-separated DFT functionals

Last post by support_vasp « Thu Sep 12, 2024 9:05 am
Replies: 1
by ashwin » Tue Jul 08, 2014 12:15 am

1 Replies

3166 Views

Last post by support_vasp
Thu Sep 12, 2024 9:05 am
Magnetic anisotropy splitting over atoms

Last post by support_vasp « Thu Sep 12, 2024 9:05 am
Replies: 1
by rc1ph » Mon Jul 07, 2014 4:47 pm

1 Replies

3277 Views

Last post by support_vasp
Thu Sep 12, 2024 9:05 am
OpenDX or .net format

Last post by support_vasp « Thu Sep 12, 2024 9:05 am
Replies: 1
by Sonny » Sat Jul 05, 2014 7:18 am

1 Replies

2818 Views

Last post by support_vasp
Thu Sep 12, 2024 9:05 am
What are updated in spin-SOC with ICHARG=11?

Last post by support_vasp « Thu Sep 12, 2024 9:04 am
Replies: 1
by qquark » Fri Nov 21, 2014 10:58 am

1 Replies

2874 Views

Last post by support_vasp
Thu Sep 12, 2024 9:04 am
Dielectric function with gaussian smearing

Last post by support_vasp « Thu Sep 12, 2024 9:04 am
Replies: 1
by gbal » Fri Jun 05, 2015 4:02 pm

1 Replies

2788 Views

Last post by support_vasp
Thu Sep 12, 2024 9:04 am
berendsen thermostat

Last post by support_vasp « Thu Sep 12, 2024 9:04 am
Replies: 1
by sammu09 » Thu Jul 10, 2014 3:06 pm

1 Replies

3096 Views

Last post by support_vasp
Thu Sep 12, 2024 9:04 am
Spin-orbit coupling and valence electrons

Last post by support_vasp « Thu Sep 12, 2024 9:04 am
Replies: 1
by KGov » Thu Jul 10, 2014 3:34 pm

1 Replies

2896 Views

Last post by support_vasp
Thu Sep 12, 2024 9:04 am
Error in dipole correction (IDIPOL = 4)

Last post by support_vasp « Thu Sep 12, 2024 9:04 am
Replies: 1
by Renyu » Sat Apr 16, 2011 5:23 am

1 Replies

3585 Views

Last post by support_vasp
Thu Sep 12, 2024 9:04 am
The errors when the force constants were calculated.

Last post by support_vasp « Thu Sep 12, 2024 9:03 am
Replies: 1
by xinhuanwen » Sat Apr 26, 2014 10:19 am

1 Replies

3399 Views

Last post by support_vasp
Thu Sep 12, 2024 9:03 am
Calcium caculation

Last post by support_vasp « Thu Sep 12, 2024 9:03 am
Replies: 1
by pswkd » Fri Apr 25, 2014 7:15 am

1 Replies

2845 Views

Last post by support_vasp
Thu Sep 12, 2024 9:03 am

New Topic

5246 topics

Page 1 of 263
- Jump to page:
1
2
3
4
5
…
263
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