Using VASP

Moderators: Global Moderator, Moderator

New Topic

5867 topics

Page 156 of 294
- Jump to page:
Previous
1
…
154
155
156
157
158
…
294
Next

Topics

Replies

Views

Last post

Data extraction from DOS-DOSCAR

Last post by merzuk.kaltak « Wed Sep 23, 2020 7:41 am
Replies: 1
by madhu_menon2 » Mon Sep 14, 2020 1:58 pm

1 Replies

4804 Views

Last post by merzuk.kaltak
Wed Sep 23, 2020 7:41 am
Elastic constant of calculation for 2D materials

Last post by mahbub_islam « Tue Sep 22, 2020 2:14 pm
Replies: 2
by mahbub_islam » Wed Aug 12, 2020 11:56 am

2 Replies

5952 Views

Last post by mahbub_islam
Tue Sep 22, 2020 2:14 pm
VASP NPT Molecular Dynamics

Last post by ferenc_karsai « Mon Sep 14, 2020 8:26 am
Replies: 4
by Hrishit Banerjee » Fri Oct 04, 2013 4:06 pm

4 Replies

12116 Views

Last post by ferenc_karsai
Mon Sep 14, 2020 8:26 am
Calculating XAS and XMCD spectra

Last post by ferenc_karsai « Mon Sep 14, 2020 8:14 am
Replies: 1
by ravi_yadav » Mon Sep 07, 2020 2:28 pm

1 Replies

4150 Views

Last post by ferenc_karsai
Mon Sep 14, 2020 8:14 am
Low scaling GW with non-collinear spin calculations

Last post by merzuk.kaltak « Mon Sep 14, 2020 7:35 am
Replies: 3
by bo_peng » Thu Sep 10, 2020 12:14 pm

3 Replies

5377 Views

Last post by merzuk.kaltak
Mon Sep 14, 2020 7:35 am
Problem with GW0

Last post by asaaravindh2019 « Sun Sep 13, 2020 11:03 am
Replies: 2
by asaaravindh2019 » Wed Sep 02, 2020 8:36 am

2 Replies

4963 Views

Last post by asaaravindh2019
Sun Sep 13, 2020 11:03 am
How do I perform low scaling GW calculations in the presence of spin-orbit coupling?

Last post by merzuk.kaltak « Fri Sep 11, 2020 11:43 am
Replies: 1
by bo_peng » Thu Sep 10, 2020 12:20 pm

1 Replies

3995 Views

Last post by merzuk.kaltak
Fri Sep 11, 2020 11:43 am
About "dE" in "OSZICAR"

Last post by dorisV « Mon Sep 07, 2020 9:53 am
Replies: 5
by zhaoru_sun1 » Tue Aug 25, 2020 1:50 am

5 Replies

8402 Views

Last post by dorisV
Mon Sep 07, 2020 9:53 am
how to display hided numbers in OUTCAR of RPA calc

Last post by zwangdtu « Wed Sep 02, 2020 9:10 pm
Replies: 2
by zwangdtu » Wed Sep 02, 2020 8:25 am

2 Replies

4420 Views

Last post by zwangdtu
Wed Sep 02, 2020 9:10 pm
regarding static dielectric constant

Last post by merzuk.kaltak « Tue Sep 01, 2020 7:50 am
Replies: 1
by sdeepmanav » Fri Aug 28, 2020 10:11 am

1 Replies

4270 Views

Last post by merzuk.kaltak
Tue Sep 01, 2020 7:50 am
how to combine PBE+U and GW approximation (G0W0)

Last post by merzuk.kaltak « Tue Aug 25, 2020 1:29 pm
Replies: 1
by alekos » Thu Sep 26, 2019 1:22 am

1 Replies

4779 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 1:29 pm
How can I get REAL DIELECTRIC FUNCTION with frequency(E(ev)) by 0.01ev step?

Last post by merzuk.kaltak « Tue Aug 25, 2020 1:19 pm
Replies: 1
by stshcs » Sat Dec 14, 2019 1:43 am

1 Replies

4184 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 1:19 pm
[Suggestion] Sign convention using LCALCPOL

Last post by merzuk.kaltak « Tue Aug 25, 2020 1:15 pm
Replies: 1
by chengcheng_xiao1 » Sun Jan 05, 2020 11:53 pm

1 Replies

4259 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 1:15 pm
Calculation of g(F) and g(S)

Last post by merzuk.kaltak « Tue Aug 25, 2020 10:23 am
Replies: 1
by egilsk » Wed Apr 15, 2020 1:53 pm

1 Replies

4586 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 10:23 am
Ionic Relaxation getting stuck in local minima

Last post by merzuk.kaltak « Tue Aug 25, 2020 10:22 am
Replies: 1
by heisen » Thu Apr 30, 2020 1:43 pm

1 Replies

4606 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 10:22 am
VASP Forces. How are they calculated? Where to look?

Last post by merzuk.kaltak « Tue Aug 25, 2020 10:17 am
Replies: 1
by vasilii » Thu May 07, 2020 11:14 pm

1 Replies

4553 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 10:17 am
The factors related to formation energy

Last post by merzuk.kaltak « Tue Aug 25, 2020 9:01 am
Replies: 1
by zhaoru_sun1 » Tue Aug 25, 2020 6:29 am

1 Replies

3624 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 9:01 am
spurious shifts in LOCPOT via LVHAR

Last post by taishan@mit.edu « Fri Aug 21, 2020 3:16 pm
Replies: 9
by taishan@mit.edu » Mon Aug 17, 2020 6:41 pm

9 Replies

9473 Views

Last post by taishan@mit.edu
Fri Aug 21, 2020 3:16 pm
the derivative of the cell-periodic part of the orbitals w.r.t. k

Last post by henrique_miranda « Fri Aug 21, 2020 9:23 am
Replies: 5
by xiaoming_wang » Tue Aug 04, 2020 6:52 pm

5 Replies

7674 Views

Last post by henrique_miranda
Fri Aug 21, 2020 9:23 am
Request for INCAR file

Last post by merzuk.kaltak « Fri Aug 21, 2020 8:31 am
Replies: 1
by subrata » Thu May 28, 2020 9:46 am

1 Replies

4204 Views

Last post by merzuk.kaltak
Fri Aug 21, 2020 8:31 am

New Topic

5867 topics

Page 156 of 294
- Jump to page:
Previous
1
…
154
155
156
157
158
…
294
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