Using VASP

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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

1561 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

3502 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

1519 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

1880 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

5562 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

1188 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

1136 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

1659 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

4042 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

2534 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

1399 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

1781 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

1985 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

1395 Views

Last post by fabien_tran1
Thu Jun 29, 2023 8:11 am
accelerating the ML_FF MD run

Last post by suojiang_zhang1 « Thu Jun 29, 2023 1:02 am
Replies: 6
by suojiang_zhang1 » Tue Jun 27, 2023 6:05 am

6 Replies

2416 Views

Last post by suojiang_zhang1
Thu Jun 29, 2023 1:02 am
Spin-orbit without noncolinear

Last post by pascal_boulet1 « Tue Jun 27, 2023 4:20 pm
Replies: 6
by pascal_boulet1 » Tue Jun 27, 2023 9:36 am

6 Replies

2821 Views

Last post by pascal_boulet1
Tue Jun 27, 2023 4:20 pm
NEB convergence problem

Last post by alok_shukla1 « Tue Jun 27, 2023 3:46 pm
Replies: 2
by alok_shukla1 » Mon Jun 26, 2023 4:51 pm

2 Replies

1449 Views

Last post by alok_shukla1
Tue Jun 27, 2023 3:46 pm
Hessian disappeared from OUTCAR

Last post by alex « Tue Jun 27, 2023 3:05 pm
Replies: 5
by alex » Thu Jun 22, 2023 1:49 pm

5 Replies

2204 Views

Last post by alex
Tue Jun 27, 2023 3:05 pm
Magnetization calculation in VASP

Last post by fabien_tran1 « Mon Jun 26, 2023 9:04 pm
Replies: 3
by subhomoy_gupta » Sun Jun 25, 2023 9:00 pm

3 Replies

3249 Views

Last post by fabien_tran1
Mon Jun 26, 2023 9:04 pm
Biexciton binding energy and auger recombination coefficient

Last post by fabien_tran1 « Mon Jun 26, 2023 2:40 pm
Replies: 1
by rishikanta_m » Wed Jun 21, 2023 12:46 pm

1 Replies

1365 Views

Last post by fabien_tran1
Mon Jun 26, 2023 2:40 pm

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