Using VASP

Moderators: Global Moderator, Moderator

New Topic

5594 topics

Page 142 of 280
- Jump to page:
Previous
1
…
140
141
142
143
144
…
280
Next

Topics

Replies

Views

Last post

Partial charge densities in VASP

Last post by madhu_menon2 « Thu Oct 01, 2020 9:37 pm
Replies: 4
by madhu_menon2 » Fri Sep 25, 2020 2:56 pm

4 Replies

5752 Views

Last post by madhu_menon2
Thu Oct 01, 2020 9:37 pm
plotting p-DOS around a specific k-points

Last post by henrique_miranda « Thu Oct 01, 2020 5:54 pm
Replies: 3
by golam_morshed » Mon Sep 21, 2020 4:05 pm

3 Replies

5106 Views

Last post by henrique_miranda
Thu Oct 01, 2020 5:54 pm
Difference in magnetic moment between structure optimization and one-point calculation

Last post by henrique_miranda « Thu Oct 01, 2020 5:46 pm
Replies: 1
by tomoyuki_miyata » Fri Sep 18, 2020 1:31 pm

1 Replies

3877 Views

Last post by henrique_miranda
Thu Oct 01, 2020 5:46 pm
Linear response U calculation on f electron

Last post by henrique_miranda « Thu Oct 01, 2020 9:18 am
Replies: 1
by xiaoyu_han1 » Wed Sep 30, 2020 9:45 pm

1 Replies

3737 Views

Last post by henrique_miranda
Thu Oct 01, 2020 9:18 am
What's the difference between vasp5.3.3 and vasp5.4.4 when doing the BSE calculation?

Last post by henrique_miranda « Thu Oct 01, 2020 7:43 am
Replies: 1
by yuanchang_li » Wed Sep 16, 2020 8:06 am

1 Replies

3662 Views

Last post by henrique_miranda
Thu Oct 01, 2020 7:43 am
velocity operator

Last post by henrique_miranda « Thu Oct 01, 2020 7:39 am
Replies: 1
by xiaoming_wang » Wed Sep 09, 2020 9:21 am

1 Replies

3609 Views

Last post by henrique_miranda
Thu Oct 01, 2020 7:39 am
BORN EFFECTIVE CHARGES

Last post by wwlphys « Wed Sep 30, 2020 11:35 am
Replies: 2
by wwlphys » Tue Sep 29, 2020 9:44 am

2 Replies

4068 Views

Last post by wwlphys
Wed Sep 30, 2020 11:35 am
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

4077 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

5136 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

10946 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

3713 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

4623 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

4326 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

3478 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

6368 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

3958 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

3615 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

4207 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

3723 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

3730 Views

Last post by merzuk.kaltak
Tue Aug 25, 2020 1:15 pm

New Topic

5594 topics

Page 142 of 280
- Jump to page:
Previous
1
…
140
141
142
143
144
…
280
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