Using VASP

Moderators: Global Moderator, Moderator

New Topic

5557 topics

Page 11 of 278
- Jump to page:
Previous
1
…
9
10
11
12
13
…
278
Next

Topics

Replies

Views

Last post

Error reading KPOINTS file while performing HSE06 calcualtion

Last post by naveen_sharma « Tue Jan 28, 2025 4:14 am
Replies: 2
by naveen_sharma » Mon Jan 27, 2025 9:08 am

2 Replies

6019 Views

Last post by naveen_sharma
Tue Jan 28, 2025 4:14 am
Using VASP's ML-FF in 3rd party MD packages

Last post by andreas.singraber « Mon Jan 27, 2025 9:32 am
Replies: 8
by Jatin19k » Sat Mar 05, 2022 6:42 am

8 Replies

30073 Views

Last post by andreas.singraber
Mon Jan 27, 2025 9:32 am
Error in MD annealing simulation with ML potential

Last post by andreas.singraber « Mon Jan 27, 2025 9:31 am
Replies: 13
by renjie_chen1 » Mon Sep 09, 2024 7:45 am

13 Replies

19269 Views

Last post by andreas.singraber
Mon Jan 27, 2025 9:31 am
can the trained ML_FF be used in the third part MD code? such as LAMMPS

Last post by andreas.singraber « Mon Jan 27, 2025 9:20 am
Replies: 2
by suojiang_zhang1 » Mon Nov 25, 2024 12:15 pm

2 Replies

20860 Views

Last post by andreas.singraber
Mon Jan 27, 2025 9:20 am
Inquiry about VASP interfacing with LAMMPS

Last post by andreas.singraber « Mon Jan 27, 2025 9:18 am
Replies: 2
by bolariso » Wed Nov 27, 2024 9:59 am

2 Replies

21034 Views

Last post by andreas.singraber
Mon Jan 27, 2025 9:18 am
About the INCLUDE_ML variable used in makefile.include for vasp.6.5.0.

Last post by andreas.singraber « Mon Jan 27, 2025 8:50 am
Replies: 4
by hszhao.cn@gmail.com » Sun Dec 22, 2024 5:47 am

4 Replies

16828 Views

Last post by andreas.singraber
Mon Jan 27, 2025 8:50 am
How to check if ML_FF refitting is successful?

Last post by ahampel « Fri Jan 24, 2025 12:55 pm
Replies: 3
by akretschmer » Mon Jan 20, 2025 10:25 am

3 Replies

8100 Views

Last post by ahampel
Fri Jan 24, 2025 12:55 pm
Some Questions about Elastic Tensor Calculations in VASP: Dimensionality Applicability and Experimental Deviation.

Last post by ahampel « Fri Jan 24, 2025 10:31 am
Replies: 3
by hszhao.cn@gmail.com » Wed Jan 22, 2025 1:21 pm

3 Replies

8924 Views

Last post by ahampel
Fri Jan 24, 2025 10:31 am
slab dipole moment correction in VASP

Last post by ymantz « Thu Jan 23, 2025 9:59 pm
Replies: 2
by ymantz » Tue Nov 19, 2024 2:23 pm

2 Replies

13556 Views

Last post by ymantz
Thu Jan 23, 2025 9:59 pm
WAVEDER with and without PEAD

Last post by ahampel « Wed Jan 22, 2025 1:05 pm
Replies: 6
by xiaoming_wang » Sun Jan 19, 2025 6:52 am

6 Replies

12167 Views

Last post by ahampel
Wed Jan 22, 2025 1:05 pm
Electron-Phonon potential (VASP+Phelel): Unable to find PAW Strength parameters and Augmentation Charge parameters

Last post by ahampel « Wed Jan 22, 2025 9:14 am
Replies: 5
by mukhtiyar_singh » Fri Jan 17, 2025 10:30 am

5 Replies

10037 Views

Last post by ahampel
Wed Jan 22, 2025 9:14 am
recalculate W for EVGW0?

Last post by ahampel « Mon Jan 20, 2025 2:08 pm
Replies: 3
by xiaoming_wang » Fri Jan 17, 2025 2:20 pm

3 Replies

8539 Views

Last post by ahampel
Mon Jan 20, 2025 2:08 pm
KERNEL TRUNCATION

Last post by christopher_sheldon1 « Fri Jan 17, 2025 2:22 pm
Replies: 13
by reza_namakian1 » Tue Jan 07, 2025 6:45 pm

13 Replies

28549 Views

Last post by christopher_sheldon1
Fri Jan 17, 2025 2:22 pm
Influence of the density gradient

Last post by ahampel « Fri Jan 17, 2025 1:45 pm
Replies: 3
by ronald_redmer1 » Thu Jan 16, 2025 12:47 pm

3 Replies

7886 Views

Last post by ahampel
Fri Jan 17, 2025 1:45 pm
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

18169 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

9345 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

12862 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

9899 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

26074 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

9710 Views

Last post by andreas.singraber
Mon Jan 13, 2025 4:11 pm

New Topic

5557 topics

Page 11 of 278
- Jump to page:
Previous
1
…
9
10
11
12
13
…
278
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