Using VASP

Moderators: Global Moderator, Moderator

New Topic

5527 topics

Page 8 of 277
- Jump to page:
Previous
1
…
6
7
8
9
10
…
277
Next

Topics

Replies

Views

Last post

Weird results for magnetic ordering

Last post by alexey.tal « Thu Feb 06, 2025 8:08 am
Replies: 1
by cwoods7 » Wed Feb 05, 2025 11:13 pm

1 Replies

57716 Views

Last post by alexey.tal
Thu Feb 06, 2025 8:08 am
Reflectivity calculations

Last post by jess_white « Thu Feb 06, 2025 12:42 am
Replies: 6
by jess_white » Wed Jan 29, 2025 3:21 am

6 Replies

67373 Views

Last post by jess_white
Thu Feb 06, 2025 12:42 am
Electronic minimization issues with MoTe2 in the presence of electric field.

Last post by santanumahapatra « Wed Feb 05, 2025 7:35 pm
Replies: 9
by santanumahapatra » Wed Jan 29, 2025 3:07 pm

9 Replies

52803 Views

Last post by santanumahapatra
Wed Feb 05, 2025 7:35 pm
Proper workflow for an HSE06 calculation including SOC

Last post by hatedark1 « Wed Feb 05, 2025 6:26 pm
Replies: 5
by hatedark1 » Wed Mar 06, 2024 5:31 pm

5 Replies

46500 Views

Last post by hatedark1
Wed Feb 05, 2025 6:26 pm
MLFF stages of training

Last post by mghosh « Tue Feb 04, 2025 7:54 pm
Replies: 12
by dylan_durkee » Mon Apr 24, 2023 3:26 pm

12 Replies

70546 Views

Last post by mghosh
Tue Feb 04, 2025 7:54 pm
How to check the Convergence Performance using VASP.6.5.0

Last post by manoj_wijesingha « Tue Feb 04, 2025 5:38 pm
Replies: 4
by manoj_wijesingha » Mon Feb 03, 2025 11:02 pm

4 Replies

26479 Views

Last post by manoj_wijesingha
Tue Feb 04, 2025 5:38 pm
ML training beyond the boiling point

Last post by alexey.tal « Tue Feb 04, 2025 5:04 pm
Replies: 1
by akretschmer » Tue Feb 04, 2025 1:43 pm

1 Replies

16335 Views

Last post by alexey.tal
Tue Feb 04, 2025 5:04 pm
differentiate between these two types of oxygen atoms for machine learning simulations

Last post by alexey.tal « Tue Feb 04, 2025 2:14 pm
Replies: 7
by aijitha_john » Tue Feb 04, 2025 9:12 am

7 Replies

42218 Views

Last post by alexey.tal
Tue Feb 04, 2025 2:14 pm
VASP.6.5.0: The wannier interface is returning 128 projections while NUM_WANN is 104.

Last post by christopher_sheldon1 « Tue Feb 04, 2025 11:09 am
Replies: 22
by hszhao.cn@gmail.com » Thu Jan 02, 2025 2:09 am
1

2
22 Replies

88090 Views

Last post by christopher_sheldon1
Tue Feb 04, 2025 11:09 am
NEB and geometry relaxation with Electric field

Last post by ahampel « Tue Feb 04, 2025 10:35 am
Replies: 17
by santanumahapatra » Tue Jan 14, 2025 6:34 pm
1

2
17 Replies

69022 Views

Last post by ahampel
Tue Feb 04, 2025 10:35 am
Extracting a PES from VASP runs

Last post by alexey.tal « Tue Feb 04, 2025 10:01 am
Replies: 1
by melissa_sanseverino » Mon Feb 03, 2025 7:32 pm

1 Replies

13053 Views

Last post by alexey.tal
Tue Feb 04, 2025 10:01 am
VASP6.5 installation procedure

Last post by alexey.tal « Tue Feb 04, 2025 9:01 am
Replies: 1
by Davron Kurbanov » Tue Feb 04, 2025 8:50 am

1 Replies

12641 Views

Last post by alexey.tal
Tue Feb 04, 2025 9:01 am
Spin Orbit Coupling Calculation in VASP 6.4.3

Last post by ahampel « Tue Feb 04, 2025 8:28 am
Replies: 5
by trongnhan_duong » Mon Jan 13, 2025 7:41 am

5 Replies

24050 Views

Last post by ahampel
Tue Feb 04, 2025 8:28 am
Bandstructure with external Electric field

Last post by santanumahapatra « Tue Feb 04, 2025 4:40 am
Replies: 10
by santanumahapatra » Thu Jan 30, 2025 2:32 pm

10 Replies

90962 Views

Last post by santanumahapatra
Tue Feb 04, 2025 4:40 am
Hydrid functional

Last post by alexey.tal « Mon Feb 03, 2025 5:30 pm
Replies: 6
by magorzata_makowska-janusik1 » Thu Jan 30, 2025 1:58 pm

6 Replies

58851 Views

Last post by alexey.tal
Mon Feb 03, 2025 5:30 pm
Phonons of U3Si2

Last post by ahampel « Mon Feb 03, 2025 4:21 pm
Replies: 6
by Fermi1976 » Sun Jan 19, 2025 4:10 am

6 Replies

28050 Views

Last post by ahampel
Mon Feb 03, 2025 4:21 pm
About LDAUL

Last post by alexey.tal « Mon Feb 03, 2025 12:26 pm
Replies: 3
by pooja_rani » Fri Jan 31, 2025 10:46 am

3 Replies

25126 Views

Last post by alexey.tal
Mon Feb 03, 2025 12:26 pm
Temperature skyrocketing for MLFF MD

Last post by mario_Japan « Sun Feb 02, 2025 4:45 pm
Replies: 4
by mario_Japan » Mon Jan 27, 2025 8:19 am

4 Replies

19065 Views

Last post by mario_Japan
Sun Feb 02, 2025 4:45 pm
K-point integration and ISMEAR for ML training of metals and insulators

Last post by alexey.tal « Thu Jan 30, 2025 1:31 pm
Replies: 1
by akretschmer » Thu Jan 30, 2025 11:42 am

1 Replies

9131 Views

Last post by alexey.tal
Thu Jan 30, 2025 1:31 pm
Developing Machine Learning Interatomic Potentials in VASP for Use in LAMMPS

Last post by alexey.tal « Thu Jan 30, 2025 8:57 am
Replies: 1
by Asmabi Thottahill » Wed Jan 29, 2025 6:01 pm

1 Replies

7604 Views

Last post by alexey.tal
Thu Jan 30, 2025 8:57 am

New Topic

5527 topics

Page 8 of 277
- Jump to page:
Previous
1
…
6
7
8
9
10
…
277
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