Using VASP

Moderators: Global Moderator, Moderator

New Topic

5450 topics

Page 99 of 273
- Jump to page:
Previous
1
…
97
98
99
100
101
…
273
Next

Topics

Replies

Views

Last post

HF calculations with ICHARG>10

Last post by alexey.tal « Fri Aug 04, 2023 1:42 pm
Replies: 1
by biduri » Fri Aug 04, 2023 4:05 am

1 Replies

2476 Views

Last post by alexey.tal
Fri Aug 04, 2023 1:42 pm
Obtaining Piezoelectric Stress Tensor for a Strained Monolayer with GGA+SOC by DFPT

Last post by Nishat Tasnim Hiramony « Fri Aug 04, 2023 7:29 am
Replies: 5
by Nishat Tasnim Hiramony » Mon Jul 17, 2023 7:46 am

5 Replies

3788 Views

Last post by Nishat Tasnim Hiramony
Fri Aug 04, 2023 7:29 am
Different velocity information py4vasp vs outpu

Last post by alexey.tal « Tue Aug 01, 2023 3:45 pm
Replies: 9
by burakgurlek » Mon Jul 31, 2023 4:52 pm

9 Replies

5414 Views

Last post by alexey.tal
Tue Aug 01, 2023 3:45 pm
Calculations are not converging after Electric field is applied

Last post by jonathan_lahnsteiner2 « Fri Jul 28, 2023 11:06 pm
Replies: 3
by nirmal_ganguli2 » Fri Jul 14, 2023 9:48 am

3 Replies

3571 Views

Last post by jonathan_lahnsteiner2
Fri Jul 28, 2023 11:06 pm
Performance issue with MBJ functional in vasp6.3.2

Last post by fabien_tran1 « Fri Jul 28, 2023 11:34 am
Replies: 3
by ralf_tonner1 » Wed Jul 26, 2023 2:58 pm

3 Replies

2868 Views

Last post by fabien_tran1
Fri Jul 28, 2023 11:34 am
Discrepancy in wiki with LMAXMIX and LMAXTAU?

Last post by jonathan_lahnsteiner2 « Wed Jul 26, 2023 12:10 pm
Replies: 3
by matthewkuner » Fri Jul 14, 2023 6:57 pm

3 Replies

2783 Views

Last post by jonathan_lahnsteiner2
Wed Jul 26, 2023 12:10 pm
The ability to fix lattice vector component(s)/stress tensor component(s) during relaxation in VASP.

Last post by pedro_melo « Mon Jul 24, 2023 9:40 am
Replies: 1
by hszhao.cn@gmail.com » Tue Jul 18, 2023 1:44 pm

1 Replies

2033 Views

Last post by pedro_melo
Mon Jul 24, 2023 9:40 am
NGX getting changed by VASP without adequate warning?

Last post by matthewkuner « Thu Jul 20, 2023 8:29 pm
Replies: 8
by matthewkuner » Thu Jul 06, 2023 11:57 pm

8 Replies

5504 Views

Last post by matthewkuner
Thu Jul 20, 2023 8:29 pm
Parallelization of MD Simulation

Last post by burakgurlek « Thu Jul 20, 2023 3:20 pm
Replies: 7
by burakgurlek » Thu Jun 15, 2023 11:23 am

7 Replies

4416 Views

Last post by burakgurlek
Thu Jul 20, 2023 3:20 pm
KILLED BY SIGNAL: 9 (Killed) during NpT simulation

Last post by kai_oshiro « Thu Jul 20, 2023 7:42 am
Replies: 2
by kai_oshiro » Wed Jul 12, 2023 6:45 am

2 Replies

14955 Views

Last post by kai_oshiro
Thu Jul 20, 2023 7:42 am
Failed in tutorial

Last post by koun_shirai « Tue Jul 18, 2023 2:26 am
Replies: 2
by koun_shirai » Mon Jul 17, 2023 3:06 am

2 Replies

2155 Views

Last post by koun_shirai
Tue Jul 18, 2023 2:26 am
spin orbit coupling - error reading wavecar: the number of plane wave coefficients is double in the ncl run

Last post by jonathan_lahnsteiner2 « Mon Jul 17, 2023 12:51 pm
Replies: 7
by alpinnovianus » Thu Jul 13, 2023 3:13 pm

7 Replies

5033 Views

Last post by jonathan_lahnsteiner2
Mon Jul 17, 2023 12:51 pm
Can LPLANE affect results?

Last post by jonathan_lahnsteiner2 « Mon Jul 17, 2023 5:44 am
Replies: 1
by matthewkuner » Fri Jul 14, 2023 9:41 pm

1 Replies

1623 Views

Last post by jonathan_lahnsteiner2
Mon Jul 17, 2023 5:44 am
Should I do DFT+U approach in AIMD tor transition metal??

Last post by jonathan_lahnsteiner2 « Mon Jul 17, 2023 5:35 am
Replies: 1
by Seunghwan_Kwon » Sat Jul 15, 2023 7:50 pm

1 Replies

1791 Views

Last post by jonathan_lahnsteiner2
Mon Jul 17, 2023 5:35 am
Convergence problem in bandstructure calculation including spin orbit coupling using VASP.6.2.2

Last post by nirmal_ganguli2 « Sun Jul 16, 2023 10:36 am
Replies: 6
by nirmal_ganguli2 » Mon Jul 03, 2023 12:27 pm

6 Replies

3624 Views

Last post by nirmal_ganguli2
Sun Jul 16, 2023 10:36 am
How to select 'ANDERSON_PROB' or 'SMASS' in AIMD?

Last post by jonathan_lahnsteiner2 « Thu Jul 13, 2023 9:42 am
Replies: 3
by Seunghwan_Kwon » Thu Jul 13, 2023 2:26 am

3 Replies

2614 Views

Last post by jonathan_lahnsteiner2
Thu Jul 13, 2023 9:42 am
Query in DFPT (piezoelectric tensor calculation)

Last post by jonathan_lahnsteiner2 « Thu Jul 13, 2023 8:32 am
Replies: 1
by prince_sharma » Wed Jul 12, 2023 6:52 pm

1 Replies

1554 Views

Last post by jonathan_lahnsteiner2
Thu Jul 13, 2023 8:32 am
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

1638 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

1687 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

1898 Views

Last post by jonathan_lahnsteiner2
Tue Jul 11, 2023 6:04 pm

New Topic

5450 topics

Page 99 of 273
- Jump to page:
Previous
1
…
97
98
99
100
101
…
273
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