Using VASP

Moderators: Global Moderator, Moderator

New Topic

5867 topics

Page 121 of 294
- Jump to page:
Previous
1
…
119
120
121
122
123
…
294
Next

Topics

Replies

Views

Last post

Error while running one-step GW+SOC calculation

Last post by jonathan_lahnsteiner2 « Wed Jul 12, 2023 8:53 am
Replies: 1
by rishikanta_m » Tue Jul 11, 2023 2:07 pm

1 Replies

3693 Views

Last post by jonathan_lahnsteiner2
Wed Jul 12, 2023 8:53 am
Energy prediction about MLFF

Last post by jonathan_lahnsteiner2 « Tue Jul 11, 2023 6:15 pm
Replies: 1
by exk301 » Sat Jul 08, 2023 6:54 am

1 Replies

3427 Views

Last post by jonathan_lahnsteiner2
Tue Jul 11, 2023 6:15 pm
NEDOS

Last post by jonathan_lahnsteiner2 « Tue Jul 11, 2023 6:04 pm
Replies: 1
by satvik_kashyap » Tue Jul 11, 2023 4:27 pm

1 Replies

3857 Views

Last post by jonathan_lahnsteiner2
Tue Jul 11, 2023 6:04 pm
new finds about "Broken bonds or deformation of molecules in long run using ML_FF after refit"

Last post by jonathan_lahnsteiner2 « Tue Jul 11, 2023 5:57 pm
Replies: 1
by suojiang_zhang1 » Tue Jul 11, 2023 6:32 am

1 Replies

3376 Views

Last post by jonathan_lahnsteiner2
Tue Jul 11, 2023 5:57 pm
Configurational Entropy in standard relaxation

Last post by jonathan_lahnsteiner2 « Tue Jul 11, 2023 3:53 pm
Replies: 1
by prince_sharma » Mon Jul 10, 2023 6:32 pm

1 Replies

2801 Views

Last post by jonathan_lahnsteiner2
Tue Jul 11, 2023 3:53 pm
How to calculate J parameter in DFT+U Method?

Last post by fabien_tran1 « Mon Jul 10, 2023 7:35 am
Replies: 1
by Seunghwan_Kwon » Mon Jul 10, 2023 4:59 am

1 Replies

3295 Views

Last post by fabien_tran1
Mon Jul 10, 2023 7:35 am
EFIELD_PEAD value limit

Last post by jonathan_lahnsteiner2 « Thu Jul 06, 2023 5:27 pm
Replies: 1
by sijia_ke » Wed Jul 05, 2023 4:56 pm

1 Replies

4144 Views

Last post by jonathan_lahnsteiner2
Thu Jul 06, 2023 5:27 pm
"received signal SIGSEGV: segmentation fault invalid memory error"

Last post by jonathan_lahnsteiner2 « Thu Jul 06, 2023 1:18 pm
Replies: 3
by junweilucasbao » Mon Jul 03, 2023 10:12 pm

3 Replies

8347 Views

Last post by jonathan_lahnsteiner2
Thu Jul 06, 2023 1:18 pm
Questions about parameters in AIMD and MLFF

Last post by jonathan_lahnsteiner2 « Wed Jul 05, 2023 12:37 pm
Replies: 1
by jun_yin2 » Wed Jul 05, 2023 11:44 am

1 Replies

3776 Views

Last post by jonathan_lahnsteiner2
Wed Jul 05, 2023 12:37 pm
Convergence issue with U ramping

Last post by jonathan_lahnsteiner2 « Wed Jul 05, 2023 8:04 am
Replies: 3
by william_watson » Tue Jul 04, 2023 9:21 am

3 Replies

4668 Views

Last post by jonathan_lahnsteiner2
Wed Jul 05, 2023 8:04 am
Problem when using VASP parallelized using MPI + OpenMP

Last post by hatedark1 « Tue Jul 04, 2023 7:41 pm
Replies: 10
by hatedark1 » Sun Jun 25, 2023 2:07 pm

10 Replies

14277 Views

Last post by hatedark1
Tue Jul 04, 2023 7:41 pm
Hierarchy of ALGO vs IALGO

Last post by jonathan_lahnsteiner2 « Tue Jul 04, 2023 8:53 am
Replies: 1
by matthewkuner » Mon Jul 03, 2023 8:51 pm

1 Replies

3862 Views

Last post by jonathan_lahnsteiner2
Tue Jul 04, 2023 8:53 am
Problem in the ALGO = CHI step.

Last post by jonathan_lahnsteiner2 « Tue Jul 04, 2023 8:45 am
Replies: 1
by atul_pandey » Mon Jul 03, 2023 7:18 pm

1 Replies

2846 Views

Last post by jonathan_lahnsteiner2
Tue Jul 04, 2023 8:45 am
Error while running VPt8

Last post by fabien_tran1 « Mon Jul 03, 2023 6:54 am
Replies: 3
by subhomoy_gupta » Thu Jun 29, 2023 2:42 am

3 Replies

4102 Views

Last post by fabien_tran1
Mon Jul 03, 2023 6:54 am
Collaboration in publication using VASP

Last post by s_belgacem « Sun Jul 02, 2023 11:36 am
Replies: 11
by hamza_bouafia_LGP » Tue Jun 20, 2023 6:17 pm

11 Replies

9938 Views

Last post by s_belgacem
Sun Jul 02, 2023 11:36 am
unexpected temperature fluctuations in NVT run

Last post by ferenc_karsai « Fri Jun 30, 2023 11:07 am
Replies: 5
by joachim_bacquet » Mon Jun 19, 2023 2:10 pm

5 Replies

7896 Views

Last post by ferenc_karsai
Fri Jun 30, 2023 11:07 am
Broken bonds or deformation of molecules in long run using ML_FF after refit

Last post by ferenc_karsai « Fri Jun 30, 2023 8:53 am
Replies: 1
by suojiang_zhang1 » Fri Jun 30, 2023 6:59 am

1 Replies

3061 Views

Last post by ferenc_karsai
Fri Jun 30, 2023 8:53 am
only gamma point of qmesh is being sampled, regardless of QPOINTS mesh

Last post by fabien_tran1 « Fri Jun 30, 2023 8:23 am
Replies: 2
by preston_vargas » Thu Jun 29, 2023 8:59 pm

2 Replies

4435 Views

Last post by fabien_tran1
Fri Jun 30, 2023 8:23 am
PHON_DOS not reading in QPOINTS

Last post by manuel_engel1 « Fri Jun 30, 2023 7:24 am
Replies: 3
by preston_vargas » Fri Jun 16, 2023 6:35 pm

3 Replies

4803 Views

Last post by manuel_engel1
Fri Jun 30, 2023 7:24 am
Spin Polarised Calculations

Last post by fabien_tran1 « Thu Jun 29, 2023 8:11 am
Replies: 1
by satvik_kashyap » Thu Jun 29, 2023 2:10 am

1 Replies

3504 Views

Last post by fabien_tran1
Thu Jun 29, 2023 8:11 am

New Topic

5867 topics

Page 121 of 294
- Jump to page:
Previous
1
…
119
120
121
122
123
…
294
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