Using VASP

Moderators: Global Moderator, Moderator

New Topic

5445 topics

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

Topics

Replies

Views

Last post

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

2774 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

2027 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

5474 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

4403 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

14913 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

2145 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

5009 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

1618 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

1784 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

3598 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

2598 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

1547 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

1626 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

1682 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

1888 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

1664 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

1347 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

1565 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

2197 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

4097 Views

Last post by jonathan_lahnsteiner2
Thu Jul 06, 2023 1:18 pm

New Topic

5445 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