Using VASP

Moderators: Global Moderator, Moderator

New Topic

4542 topics

Page 1 of 228
- Jump to page:
1
2
3
4
5
…
228
Next

Topics

Replies

Views

Last post

Forum Posting Guidelines

Last post by admin « Mon Sep 24, 2018 1:44 pm

by admin » Mon Sep 24, 2018 1:44 pm

0 Replies

9387 Views

Last post by admin
Mon Sep 24, 2018 1:44 pm
How to restart DOS calculations with MBJ+SOC

Last post by rishikanta_m « Sat Sep 24, 2022 2:35 am
Replies: 3
by rishikanta_m » Tue Sep 20, 2022 10:27 am

3 Replies

175 Views

Last post by rishikanta_m
Sat Sep 24, 2022 2:35 am
ABout Phonon and MD calculations using SOC

Last post by ferenc_karsai « Fri Sep 23, 2022 1:43 pm
Replies: 1
by alok_shukla1 » Wed Sep 21, 2022 2:23 pm

1 Replies

54 Views

Last post by ferenc_karsai
Fri Sep 23, 2022 1:43 pm
increasing ENCUT and wrong results

Last post by ferenc_karsai « Fri Sep 23, 2022 1:37 pm
Replies: 1
by asiyeh_shokri2 » Thu Sep 22, 2022 9:15 am

1 Replies

41 Views

Last post by ferenc_karsai
Fri Sep 23, 2022 1:37 pm
Isn't it strange even after EDIFFG is satisfied the run continues?

Last post by ferenc_karsai « Fri Sep 23, 2022 1:22 pm
Replies: 1
by SKM » Thu Sep 22, 2022 2:19 am

1 Replies

55 Views

Last post by ferenc_karsai
Fri Sep 23, 2022 1:22 pm
ML_FF for a liquid-solid interface

Last post by ferenc_karsai « Fri Sep 23, 2022 1:15 pm
Replies: 1
by suojiang_zhang1 » Thu Sep 22, 2022 6:06 am

1 Replies

41 Views

Last post by ferenc_karsai
Fri Sep 23, 2022 1:15 pm
Inconsistency in magnetic moment convergence as a function of k-point mesh

Last post by sophie_weber « Thu Sep 22, 2022 3:45 pm

by sophie_weber » Thu Sep 22, 2022 3:45 pm

0 Replies

54 Views

Last post by sophie_weber
Thu Sep 22, 2022 3:45 pm
cRPA calculations with q=0 k-p theory corrections (WAVEDER yes / no)

Last post by the-hampel « Thu Sep 22, 2022 2:12 pm

by the-hampel » Thu Sep 22, 2022 2:12 pm

0 Replies

40 Views

Last post by the-hampel
Thu Sep 22, 2022 2:12 pm
Is ML_FF used in LAMMPS ?

Last post by ferenc_karsai « Thu Sep 22, 2022 1:54 pm
Replies: 1
by suojiang_zhang1 » Tue Sep 20, 2022 4:46 am

1 Replies

103 Views

Last post by ferenc_karsai
Thu Sep 22, 2022 1:54 pm
LVHAR and LVTOT in same run

Last post by ferenc_karsai « Thu Sep 22, 2022 1:53 pm
Replies: 3
by SKM » Wed Sep 14, 2022 6:27 am

3 Replies

132 Views

Last post by ferenc_karsai
Thu Sep 22, 2022 1:53 pm
EPR/ESR spectra

Last post by ashwin_r « Wed Sep 21, 2022 7:07 pm

by ashwin_r » Wed Sep 21, 2022 7:07 pm

0 Replies

42 Views

Last post by ashwin_r
Wed Sep 21, 2022 7:07 pm
Negative band occupation with tetrahedron method with blöchl corrections

Last post by IBRAHIM « Tue Sep 20, 2022 11:59 pm
Replies: 2
by IBRAHIM » Mon Sep 19, 2022 1:24 am

2 Replies

151 Views

Last post by IBRAHIM
Tue Sep 20, 2022 11:59 pm
Inconsistency in the WAVECAR plane wave coefficients

Last post by ferenc_karsai « Mon Sep 19, 2022 8:31 am
Replies: 3
by emilhfr » Wed Sep 14, 2022 7:46 pm

3 Replies

188 Views

Last post by ferenc_karsai
Mon Sep 19, 2022 8:31 am
ALGO = CHI fails for graphene

Last post by nicholas_dimakis1 « Fri Sep 16, 2022 3:57 pm
Replies: 3
by nicholas_dimakis1 » Thu Sep 15, 2022 7:50 pm

3 Replies

242 Views

Last post by nicholas_dimakis1
Fri Sep 16, 2022 3:57 pm
ML_FF for water

Last post by suojiang_zhang1 « Fri Sep 16, 2022 1:40 pm
Replies: 4
by suojiang_zhang1 » Thu Sep 15, 2022 12:59 pm

4 Replies

138 Views

Last post by suojiang_zhang1
Fri Sep 16, 2022 1:40 pm
MLFF Nose-Hoover thermostat and Langevin thermostat

Last post by xiliang_lian « Thu Sep 15, 2022 2:14 pm
Replies: 2
by xiliang_lian » Wed Sep 14, 2022 11:14 am

2 Replies

201 Views

Last post by xiliang_lian
Thu Sep 15, 2022 2:14 pm
ab inition MD running out of memory, IWAVRP = 2 no longer available?

Last post by peterklaver « Wed Sep 14, 2022 7:50 am
Replies: 2
by peterklaver » Tue Sep 13, 2022 11:37 am

2 Replies

137 Views

Last post by peterklaver
Wed Sep 14, 2022 7:50 am
MLFF RMSE question

Last post by xiliang_lian « Tue Sep 13, 2022 1:00 pm
Replies: 2
by xiliang_lian » Thu Sep 08, 2022 2:48 pm

2 Replies

291 Views

Last post by xiliang_lian
Tue Sep 13, 2022 1:00 pm
Energy range in band structure plotted with wannier

Last post by wwlphys « Sun Sep 11, 2022 3:21 am
Replies: 4
by wwlphys » Mon Aug 29, 2022 10:32 am

4 Replies

505 Views

Last post by wwlphys
Sun Sep 11, 2022 3:21 am
Problem in optical properties

Last post by merzuk.kaltak « Fri Sep 09, 2022 12:04 pm
Replies: 3
by abdul_jaleel1 » Thu Sep 08, 2022 5:12 am

3 Replies

391 Views

Last post by merzuk.kaltak
Fri Sep 09, 2022 12:04 pm

New Topic

4542 topics

Page 1 of 228
- Jump to page:
1
2
3
4
5
…
228
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