Using VASP

Moderators: Global Moderator, Moderator

New Topic

4318 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

1141 Views

Last post by admin
Mon Sep 24, 2018 1:44 pm
Temperature keeping increasing in long MD run (100 ps +)

Last post by SKM « Thu Oct 21, 2021 8:48 am
Replies: 6
by abalone » Fri Apr 08, 2011 9:36 pm

6 Replies

1709 Views

Last post by SKM
Thu Oct 21, 2021 8:48 am
PROOUT files with spin orbit interactions.

Last post by priyamahadevan « Thu Oct 21, 2021 7:29 am
Replies: 2
by priyamahadevan » Wed Oct 06, 2021 12:48 pm

2 Replies

116 Views

Last post by priyamahadevan
Thu Oct 21, 2021 7:29 am
BSE and GW optical and structure post processing

Last post by SKM « Wed Oct 20, 2021 7:26 pm
Replies: 6
by SKM » Sat Sep 04, 2021 12:29 pm

6 Replies

172 Views

Last post by SKM
Wed Oct 20, 2021 7:26 pm
Doping system modeling: virtual crystal approximation (VCA) vs supercell method.

Last post by martin.schlipf « Wed Oct 20, 2021 7:18 pm
Replies: 1
by hszhao.cn@gmail.com » Tue Oct 19, 2021 11:58 am

1 Replies

18 Views

Last post by martin.schlipf
Wed Oct 20, 2021 7:18 pm
Is it possible to calculate Exc with a combination of functional in VASP

Last post by martin.schlipf « Wed Oct 20, 2021 6:58 pm
Replies: 1
by jingyun_ye4 » Tue Oct 19, 2021 3:10 pm

1 Replies

17 Views

Last post by martin.schlipf
Wed Oct 20, 2021 6:58 pm
Interpretation of reduced KPOINT Set

Last post by rubel « Tue Oct 19, 2021 9:36 am
Replies: 8
by Vasp1a » Thu Sep 30, 2021 1:49 pm

8 Replies

292 Views

Last post by rubel
Tue Oct 19, 2021 9:36 am
P4VASP and partial DOS

Last post by hong_tang1 « Thu Oct 14, 2021 10:41 pm

by hong_tang1 » Thu Oct 14, 2021 10:41 pm

0 Replies

72 Views

Last post by hong_tang1
Thu Oct 14, 2021 10:41 pm
What is the unit of frequency dependent DIELECTRIC FUNCTION

Last post by tronphy « Wed Oct 13, 2021 5:18 pm

by tronphy » Wed Oct 13, 2021 5:18 pm

0 Replies

49 Views

Last post by tronphy
Wed Oct 13, 2021 5:18 pm
How to model an ion or put a charge on an atom

Last post by seba_varghese « Wed Oct 13, 2021 3:50 pm

by seba_varghese » Wed Oct 13, 2021 3:50 pm

0 Replies

51 Views

Last post by seba_varghese
Wed Oct 13, 2021 3:50 pm
Effect of LAMBDA on the total energy

Last post by ferenc_karsai « Wed Oct 13, 2021 8:37 am
Replies: 2
by elise.p.kenny » Wed Sep 15, 2021 11:58 pm

2 Replies

110 Views

Last post by ferenc_karsai
Wed Oct 13, 2021 8:37 am
Band Structure Calculation with HSE06 Functional

Last post by KieranSong « Wed Oct 13, 2021 1:56 am
Replies: 7
by KieranSong » Tue Sep 21, 2021 8:12 am

7 Replies

317 Views

Last post by KieranSong
Wed Oct 13, 2021 1:56 am
KPOINTS inconsistency in tetragonal body-centered lattice

Last post by ralf_tonner1 « Tue Oct 12, 2021 6:11 pm

by ralf_tonner1 » Tue Oct 12, 2021 6:11 pm

0 Replies

56 Views

Last post by ralf_tonner1
Tue Oct 12, 2021 6:11 pm
Questions about Collinear and Non-collinear runs

Last post by hong_tang1 « Mon Oct 11, 2021 2:29 pm
Replies: 11
by hong_tang1 » Tue Sep 21, 2021 3:24 pm

11 Replies

316 Views

Last post by hong_tang1
Mon Oct 11, 2021 2:29 pm
Phonon restart option

Last post by andreas.singraber « Mon Oct 11, 2021 10:29 am
Replies: 2
by valln59 » Tue Oct 05, 2021 11:08 pm

2 Replies

80 Views

Last post by andreas.singraber
Mon Oct 11, 2021 10:29 am
Problem during ion relaxation

Last post by pooja_gangare « Mon Oct 11, 2021 9:42 am

by pooja_gangare » Mon Oct 11, 2021 9:42 am

0 Replies

55 Views

Last post by pooja_gangare
Mon Oct 11, 2021 9:42 am
vasp_ncl for magnetic anisotropy calculation

Last post by andreas.singraber « Mon Oct 11, 2021 7:41 am
Replies: 1
by venkatarohit_punyapu » Thu Oct 07, 2021 12:37 am

1 Replies

71 Views

Last post by andreas.singraber
Mon Oct 11, 2021 7:41 am
Slow convergence with hybrid functional

Last post by marie-therese.huebsch « Wed Oct 06, 2021 10:30 am
Replies: 1
by KieranSong » Tue Oct 05, 2021 5:14 am

1 Replies

104 Views

Last post by marie-therese.huebsch
Wed Oct 06, 2021 10:30 am
Issue with electronic convergence of Yb3+ cation (4f valence electrons)

Last post by ErnekMB « Tue Oct 05, 2021 9:27 pm
Replies: 4
by mateusz_domanski » Tue Sep 21, 2021 4:30 pm

4 Replies

470 Views

Last post by ErnekMB
Tue Oct 05, 2021 9:27 pm
What is dE - revisited

Last post by andreas.singraber « Mon Oct 04, 2021 1:59 pm
Replies: 1
by KWH » Mon Sep 27, 2021 8:25 pm

1 Replies

97 Views

Last post by andreas.singraber
Mon Oct 04, 2021 1:59 pm

New Topic

4318 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