Using VASP

Moderators: Global Moderator, Moderator

New Topic

5563 topics

Page 12 of 279
- Jump to page:
Previous
1
…
10
11
12
13
14
…
279
Next

Topics

Replies

Views

Last post

Error: RATTLE_vel algorithm did not converge!

Last post by renjie_chen1 « Thu Jan 16, 2025 9:42 am
Replies: 9
by renjie_chen1 » Wed Jan 01, 2025 8:05 am

9 Replies

18601 Views

Last post by renjie_chen1
Thu Jan 16, 2025 9:42 am
geometric optimization of PtSSe bilayer giving unsatisfactory results

Last post by fakir_chand1 « Wed Jan 15, 2025 4:52 am
Replies: 4
by fakir_chand1 » Mon Jan 13, 2025 8:59 am

4 Replies

9609 Views

Last post by fakir_chand1
Wed Jan 15, 2025 4:52 am
Re: ICORELEVEL Ti L-edge spectra

Last post by alexey.tal « Tue Jan 14, 2025 2:08 pm
Replies: 3
by joebiv98 » Fri Dec 20, 2024 5:58 pm

3 Replies

13085 Views

Last post by alexey.tal
Tue Jan 14, 2025 2:08 pm
About the available experimental magnetic moment database suitable for vasp's MAGMOM tag.

Last post by christopher_sheldon1 « Tue Jan 14, 2025 10:37 am
Replies: 4
by hszhao.cn@gmail.com » Sat Jan 11, 2025 2:43 am

4 Replies

10157 Views

Last post by christopher_sheldon1
Tue Jan 14, 2025 10:37 am
electronic structure coming out to be metallic while it should be semiconducting

Last post by fakir_chand1 « Tue Jan 14, 2025 4:51 am
Replies: 9
by fakir_chand1 » Thu Dec 26, 2024 9:43 am

9 Replies

26461 Views

Last post by fakir_chand1
Tue Jan 14, 2025 4:51 am
Syntax of SOC matrix in OUTCAR

Last post by andreas.singraber « Mon Jan 13, 2025 4:11 pm
Replies: 1
by asgharali_jan » Sun Dec 29, 2024 6:01 am

1 Replies

9871 Views

Last post by andreas.singraber
Mon Jan 13, 2025 4:11 pm
Inquiry Regarding Issues with VASP 6.5 Upgrade

Last post by christopher_sheldon1 « Fri Jan 10, 2025 10:50 am
Replies: 8
by sunw_ujn » Tue Jan 07, 2025 1:39 pm

8 Replies

18111 Views

Last post by christopher_sheldon1
Fri Jan 10, 2025 10:50 am
Issue with MD simulation: NaN values and RSPHER internal ERROR

Last post by christopher_sheldon1 « Thu Jan 09, 2025 9:04 am
Replies: 6
by pablog._lustemberg1 » Thu Jan 02, 2025 11:42 am

6 Replies

14515 Views

Last post by christopher_sheldon1
Thu Jan 09, 2025 9:04 am
Elastic constants of MgCO3

Last post by christopher_sheldon1 « Thu Jan 09, 2025 8:17 am
Replies: 3
by alina_zakrjevsky » Tue Jan 07, 2025 4:53 pm

3 Replies

8373 Views

Last post by christopher_sheldon1
Thu Jan 09, 2025 8:17 am
Issue with MD of H₂O in hexagonal unit cell (NaN values and errors)

Last post by christopher_sheldon1 « Wed Jan 08, 2025 2:46 pm
Replies: 6
by pablog._lustemberg1 » Thu Jan 02, 2025 12:01 pm

6 Replies

12538 Views

Last post by christopher_sheldon1
Wed Jan 08, 2025 2:46 pm
how to calculate boltzmann transport properties with electron-phonon coupling by vasp-6.5.0

Last post by christopher_sheldon1 « Wed Jan 08, 2025 11:14 am
Replies: 1
by sudhir-mjpru » Mon Jan 06, 2025 7:23 am

1 Replies

6074 Views

Last post by christopher_sheldon1
Wed Jan 08, 2025 11:14 am
Running electric field calculations on gpu

Last post by jonathan_schmidt « Tue Jan 07, 2025 1:49 pm
Replies: 4
by jonathan_schmidt » Thu Sep 19, 2024 2:37 pm

4 Replies

13985 Views

Last post by jonathan_schmidt
Tue Jan 07, 2025 1:49 pm
Missing citation in Electron-phonon interactions Wiki

Last post by christopher_sheldon1 « Tue Jan 07, 2025 10:17 am
Replies: 1
by alex » Mon Jan 06, 2025 8:30 am

1 Replies

6286 Views

Last post by christopher_sheldon1
Tue Jan 07, 2025 10:17 am
Optimization of an anionic MOF in VASP

Last post by christopher_sheldon1 « Tue Jan 07, 2025 10:04 am
Replies: 1
by shelaka_15 » Thu Dec 26, 2024 5:45 am

1 Replies

9420 Views

Last post by christopher_sheldon1
Tue Jan 07, 2025 10:04 am
Setting ICONST file with Centre of Mass as Collective Variable

Last post by christopher_sheldon1 « Tue Jan 07, 2025 9:46 am
Replies: 1
by pranav_roy » Sun Dec 22, 2024 3:48 am

1 Replies

9453 Views

Last post by christopher_sheldon1
Tue Jan 07, 2025 9:46 am
Raman calculation for bulk- Si and C

Last post by tomohisa_ogawa « Mon Jan 06, 2025 7:49 am
Replies: 4
by tomohisa_ogawa » Fri Dec 20, 2024 5:37 am

4 Replies

17970 Views

Last post by tomohisa_ogawa
Mon Jan 06, 2025 7:49 am
Guidance on Force Convergence

Last post by christopher_sheldon1 « Thu Jan 02, 2025 10:41 am
Replies: 1
by shaun_tay » Mon Dec 30, 2024 5:30 am

1 Replies

11216 Views

Last post by christopher_sheldon1
Thu Jan 02, 2025 10:41 am
OSZICAR never updated during training a Force field

Last post by exk301 « Tue Dec 24, 2024 12:13 am
Replies: 6
by exk301 » Thu Dec 12, 2024 8:13 pm

6 Replies

21180 Views

Last post by exk301
Tue Dec 24, 2024 12:13 am
About the -Duse_bse_te option in vasp.6.5.0.

Last post by hszhao.cn@gmail.com « Mon Dec 23, 2024 2:09 pm
Replies: 2
by hszhao.cn@gmail.com » Sun Dec 22, 2024 5:41 am

2 Replies

10831 Views

Last post by hszhao.cn@gmail.com
Mon Dec 23, 2024 2:09 pm
Assistance with Excited State Calculations Using FERWE and FERDO Tags in VASP

Last post by priyanka_mishra « Mon Dec 23, 2024 12:37 am
Replies: 4
by priyanka_mishra » Wed Dec 18, 2024 11:40 am

4 Replies

15476 Views

Last post by priyanka_mishra
Mon Dec 23, 2024 12:37 am

New Topic

5563 topics

Page 12 of 279
- Jump to page:
Previous
1
…
10
11
12
13
14
…
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