Using VASP

Moderators: Global Moderator, Moderator

New Topic

5329 topics

Page 118 of 267
- Jump to page:
Previous
1
…
116
117
118
119
120
…
267
Next

Topics

Replies

Views

Last post

Interpretation of reduced KPOINT Set

Last post by rubel « Mon Oct 25, 2021 2:13 pm
Replies: 10
by Vasp1a » Thu Sep 30, 2021 1:49 pm

10 Replies

12186 Views

Last post by rubel
Mon Oct 25, 2021 2:13 pm
Downloading POTCAR files

Last post by martin.schlipf « Fri Oct 22, 2021 6:24 am
Replies: 1
by fsimeski » Fri Oct 22, 2021 12:11 am

1 Replies

6230 Views

Last post by martin.schlipf
Fri Oct 22, 2021 6:24 am
vasp_ncl for magnetic anisotropy calculation

Last post by venkatarohit_punyapu « Thu Oct 21, 2021 3:49 pm
Replies: 2
by venkatarohit_punyapu » Thu Oct 07, 2021 12:37 am

2 Replies

4764 Views

Last post by venkatarohit_punyapu
Thu Oct 21, 2021 3:49 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

10503 Views

Last post by SKM
Thu Oct 21, 2021 8:48 am
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

6270 Views

Last post by martin.schlipf
Wed Oct 20, 2021 7:18 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

5216 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

11284 Views

Last post by KieranSong
Wed Oct 13, 2021 1:56 am
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

4256 Views

Last post by andreas.singraber
Mon Oct 11, 2021 10:29 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

4974 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

6707 Views

Last post by ErnekMB
Tue Oct 05, 2021 9:27 pm
Spin-orbit coupling in VASP.4.6.31

Last post by andreas.singraber « Thu Sep 30, 2021 9:17 am
Replies: 3
by vasp » Mon Feb 26, 2007 10:04 am

3 Replies

5846 Views

Last post by andreas.singraber
Thu Sep 30, 2021 9:17 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

3494 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

6837 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

11287 Views

Last post by yow5110
Sun Sep 19, 2021 1:41 am
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

3998 Views

Last post by charlie_adams
Thu Sep 16, 2021 7:48 am
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

4877 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

3798 Views

Last post by jingyun_ye4
Fri Sep 10, 2021 4:22 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

5425 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

4492 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

4358 Views

Last post by ferenc_karsai
Mon Sep 06, 2021 9:20 am

New Topic

5329 topics

Page 118 of 267
- Jump to page:
Previous
1
…
116
117
118
119
120
…
267
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