Using VASP

Moderators: Global Moderator, Moderator

New Topic

5563 topics

Page 141 of 279
- Jump to page:
Previous
1
…
139
140
141
142
143
…
279
Next

Topics

Replies

Views

Last post

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

3339 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

6037 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

3807 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

3413 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

4070 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

3604 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

3613 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

3908 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

3934 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

3905 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

3059 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

7781 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

6362 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

3670 Views

Last post by merzuk.kaltak
Fri Aug 21, 2020 8:31 am
Is the static dielectric tensor given in cartesian coordinates in real space?

Last post by merzuk.kaltak « Fri Aug 21, 2020 8:28 am
Replies: 1
by tomasz.w » Tue Jun 09, 2020 10:13 am

1 Replies

3690 Views

Last post by merzuk.kaltak
Fri Aug 21, 2020 8:28 am
Regarding dielectric constant

Last post by merzuk.kaltak « Fri Aug 21, 2020 8:17 am
Replies: 1
by sdeepmanav » Thu Aug 20, 2020 8:44 am

1 Replies

3309 Views

Last post by merzuk.kaltak
Fri Aug 21, 2020 8:17 am
Anomaly numbers of electron in DOSCAR

Last post by duccoi « Tue Aug 18, 2020 9:09 am
Replies: 2
by duccoi » Sun Aug 16, 2020 2:09 pm

2 Replies

4126 Views

Last post by duccoi
Tue Aug 18, 2020 9:09 am
Electron-phonon interactions in vasp6.1

Last post by zrqustc « Fri Aug 14, 2020 10:00 pm
Replies: 4
by zrqustc » Mon Aug 10, 2020 11:42 am

4 Replies

5035 Views

Last post by zrqustc
Fri Aug 14, 2020 10:00 pm
Band alignment for water splitting

Last post by henrique_miranda « Thu Aug 13, 2020 9:40 am
Replies: 3
by abdul_jaleel1 » Wed Aug 05, 2020 9:07 pm

3 Replies

4190 Views

Last post by henrique_miranda
Thu Aug 13, 2020 9:40 am
KPOINTS for RPA &DOS

Last post by henrique_miranda « Thu Aug 13, 2020 9:05 am
Replies: 1
by yukio_watanabe1 » Thu Aug 13, 2020 5:35 am

1 Replies

3245 Views

Last post by henrique_miranda
Thu Aug 13, 2020 9:05 am

New Topic

5563 topics

Page 141 of 279
- Jump to page:
Previous
1
…
139
140
141
142
143
…
279
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