Using VASP

Moderators: Global Moderator, Moderator

New Topic

5433 topics

Page 103 of 272
- Jump to page:
Previous
1
…
101
102
103
104
105
…
272
Next

Topics

Replies

Views

Last post

Fatal error in MPI_Allreduce: Other MPI error, error stack

Last post by ferenc_karsai « Tue Apr 25, 2023 10:15 pm
Replies: 1
by guanzhi_li » Sun Apr 23, 2023 3:33 am

1 Replies

1918 Views

Last post by ferenc_karsai
Tue Apr 25, 2023 10:15 pm
output of GW calculation returns much higher excitation energies

Last post by awang95 « Tue Apr 25, 2023 4:20 pm
Replies: 2
by awang95 » Tue Apr 25, 2023 2:15 am

2 Replies

1529 Views

Last post by awang95
Tue Apr 25, 2023 4:20 pm
Vander waal correction on HSE06 calculation

Last post by raj_sah « Mon Apr 24, 2023 5:53 pm
Replies: 2
by raj_sah » Sat Apr 22, 2023 2:40 pm

2 Replies

1684 Views

Last post by raj_sah
Mon Apr 24, 2023 5:53 pm
BSE Calculation: dielectric matrix contains only zeros and ones

Last post by alexey.tal « Mon Apr 24, 2023 3:07 pm
Replies: 13
by shuo_tao » Mon Apr 17, 2023 6:38 pm

13 Replies

5184 Views

Last post by alexey.tal
Mon Apr 24, 2023 3:07 pm
DOS and Band Structure Calculation

Last post by merzuk.kaltak « Mon Apr 24, 2023 9:31 am
Replies: 1
by Mausumi » Fri Apr 21, 2023 6:06 am

1 Replies

1719 Views

Last post by merzuk.kaltak
Mon Apr 24, 2023 9:31 am
ENCUT Convergence

Last post by alex « Mon Apr 24, 2023 6:59 am
Replies: 1
by Mausumi » Fri Apr 21, 2023 6:08 am

1 Replies

1202 Views

Last post by alex
Mon Apr 24, 2023 6:59 am
[MLFF error] Inconsistent initialization of ion. and lat. DOFs

Last post by ferenc_karsai « Thu Apr 20, 2023 12:44 pm
Replies: 1
by exk301 » Wed Apr 19, 2023 6:51 pm

1 Replies

2483 Views

Last post by ferenc_karsai
Thu Apr 20, 2023 12:44 pm
Problem calculating band structure with HSE06 and KPOINTS_OPT file

Last post by ferenc_karsai « Thu Apr 20, 2023 12:40 pm
Replies: 4
by hatedark1 » Wed Apr 19, 2023 12:50 am

4 Replies

2512 Views

Last post by ferenc_karsai
Thu Apr 20, 2023 12:40 pm
Merging ML_AB files, molecule and slab

Last post by ferenc_karsai « Tue Apr 18, 2023 10:59 am
Replies: 1
by kazem_zhour » Wed Apr 12, 2023 8:59 am

1 Replies

1261 Views

Last post by ferenc_karsai
Tue Apr 18, 2023 10:59 am
drift in forces

Last post by henrique_miranda « Mon Apr 17, 2023 11:15 am
Replies: 5
by IBRAHIM » Thu Mar 23, 2023 1:24 am

5 Replies

3062 Views

Last post by henrique_miranda
Mon Apr 17, 2023 11:15 am
Help with py4vasp

Last post by martin.schlipf « Mon Apr 17, 2023 7:42 am
Replies: 3
by dlopezduran » Fri Apr 14, 2023 9:21 am

3 Replies

2320 Views

Last post by martin.schlipf
Mon Apr 17, 2023 7:42 am
Using ISIF = 0 during DOS calculations (metaGGA)

Last post by ferenc_karsai « Fri Apr 14, 2023 3:55 pm
Replies: 1
by alpinnovianus » Wed Apr 12, 2023 7:34 am

1 Replies

1396 Views

Last post by ferenc_karsai
Fri Apr 14, 2023 3:55 pm
Can WAVECAR from vasp 6.2.1 be read in vasp 6.4.0?

Last post by ferenc_karsai « Fri Apr 14, 2023 10:47 am
Replies: 1
by alpinnovianus » Wed Apr 12, 2023 7:48 am

1 Replies

1103 Views

Last post by ferenc_karsai
Fri Apr 14, 2023 10:47 am
G0W0 stuck/hang

Last post by alexey.tal « Thu Apr 13, 2023 11:11 am
Replies: 1
by asif_ali28 » Thu Apr 13, 2023 10:29 am

1 Replies

1247 Views

Last post by alexey.tal
Thu Apr 13, 2023 11:11 am
Questions about MLFF settings

Last post by jun_yin2 « Wed Apr 12, 2023 8:05 am
Replies: 11
by jun_yin2 » Wed Mar 22, 2023 2:07 pm

11 Replies

4974 Views

Last post by jun_yin2
Wed Apr 12, 2023 8:05 am
Problem in calculating band structure of GaAs

Last post by alexey.tal « Mon Apr 10, 2023 10:14 am
Replies: 1
by Seunghwan_Kwon » Sat Apr 08, 2023 4:38 pm

1 Replies

1374 Views

Last post by alexey.tal
Mon Apr 10, 2023 10:14 am
Question about using wavecar

Last post by IBRAHIM « Mon Apr 10, 2023 8:59 am
Replies: 2
by IBRAHIM » Sat Apr 08, 2023 8:30 pm

2 Replies

1405 Views

Last post by IBRAHIM
Mon Apr 10, 2023 8:59 am
Large system

Last post by alexey.tal « Mon Apr 10, 2023 8:49 am
Replies: 1
by kazeej » Tue Apr 04, 2023 9:25 pm

1 Replies

1288 Views

Last post by alexey.tal
Mon Apr 10, 2023 8:49 am
Regarding ALGO = ALL accuracy for electronic convergence

Last post by alexey.tal « Mon Apr 10, 2023 7:51 am
Replies: 1
by scpeter@jncasr » Wed Apr 05, 2023 4:48 am

1 Replies

1237 Views

Last post by alexey.tal
Mon Apr 10, 2023 7:51 am
Interpreting TDHF results

Last post by alexey.tal « Mon Apr 10, 2023 7:38 am
Replies: 3
by guyohad » Tue Mar 28, 2023 12:13 pm

3 Replies

3070 Views

Last post by alexey.tal
Mon Apr 10, 2023 7:38 am

New Topic

5433 topics

Page 103 of 272
- Jump to page:
Previous
1
…
101
102
103
104
105
…
272
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