Using VASP

Moderators: Global Moderator, Moderator

New Topic

5557 topics

Page 8 of 278
- Jump to page:
Previous
1
…
6
7
8
9
10
…
278
Next

Topics

Replies

Views

Last post

Electronic scf in first ionic relaxation step not converging

Last post by support_vasp « Tue Feb 18, 2025 12:57 pm
Replies: 1
by leostorm10 » Sat Nov 01, 2014 8:00 am

1 Replies

18099 Views

Last post by support_vasp
Tue Feb 18, 2025 12:57 pm
Fermi energy for one composite system

Last post by support_vasp « Tue Feb 18, 2025 12:54 pm
Replies: 1
by vaspfonda » Wed Apr 29, 2015 7:03 am

1 Replies

16250 Views

Last post by support_vasp
Tue Feb 18, 2025 12:54 pm
LOCPOT, nonlocal part

Last post by support_vasp « Tue Feb 18, 2025 12:51 pm
Replies: 1
by alpha » Sun May 03, 2015 11:55 pm

1 Replies

16940 Views

Last post by support_vasp
Tue Feb 18, 2025 12:51 pm
mix the charge density and density matrix separately

Last post by support_vasp « Tue Feb 18, 2025 12:51 pm
Replies: 1
by umklapp_sai » Thu May 14, 2015 10:20 pm

1 Replies

10636 Views

Last post by support_vasp
Tue Feb 18, 2025 12:51 pm
what is wrong with vaspwiki and example page link

Last post by support_vasp « Tue Feb 18, 2025 12:50 pm
Replies: 1
by M Dave » Mon May 18, 2015 2:06 pm

1 Replies

10009 Views

Last post by support_vasp
Tue Feb 18, 2025 12:50 pm
How to Calculate Inverse Participation Ratio

Last post by support_vasp « Tue Feb 18, 2025 12:45 pm
Replies: 1
by aruth » Mon May 18, 2015 10:15 pm

1 Replies

11718 Views

Last post by support_vasp
Tue Feb 18, 2025 12:45 pm
How to align the HSE and PBE average potentials

Last post by support_vasp « Tue Feb 18, 2025 12:44 pm
Replies: 1
by eariel99 » Thu May 21, 2015 5:13 pm

1 Replies

10290 Views

Last post by support_vasp
Tue Feb 18, 2025 12:44 pm
Band crossing in MD

Last post by support_vasp « Tue Feb 18, 2025 12:43 pm
Replies: 1
by tfrankcombe » Mon May 15, 2017 2:33 am

1 Replies

10686 Views

Last post by support_vasp
Tue Feb 18, 2025 12:43 pm
forces in finite-temperature RPA

Last post by merzuk.kaltak « Tue Feb 18, 2025 10:19 am
Replies: 3
by shixubenjamin1 » Fri Feb 14, 2025 11:19 am

3 Replies

41784 Views

Last post by merzuk.kaltak
Tue Feb 18, 2025 10:19 am
D3 with elements past plutonium

Last post by fabien_tran1 « Tue Feb 18, 2025 9:09 am
Replies: 8
by benjamin_atkinson1 » Thu Jan 30, 2025 3:24 am

8 Replies

96943 Views

Last post by fabien_tran1
Tue Feb 18, 2025 9:09 am
Clarification on energy/electric enthalpy in Berry phase calculation

Last post by cyrusyc « Tue Feb 18, 2025 7:32 am
Replies: 4
by cyrusyc » Thu Feb 13, 2025 6:03 pm

4 Replies

71796 Views

Last post by cyrusyc
Tue Feb 18, 2025 7:32 am
ferroelectric calculations and LCALCPOL = .TRUE. tag

Last post by manuel_engel1 « Mon Feb 17, 2025 1:09 pm
Replies: 1
by bakgenc » Mon Feb 17, 2025 11:35 am

1 Replies

17331 Views

Last post by manuel_engel1
Mon Feb 17, 2025 1:09 pm
Trouble with STM simulations

Last post by manuel_engel1 « Sat Feb 15, 2025 1:05 pm
Replies: 5
by Jianguo Si » Wed Feb 12, 2025 8:41 am

5 Replies

99566 Views

Last post by manuel_engel1
Sat Feb 15, 2025 1:05 pm
Excessive memory use in FF training

Last post by manuel_engel1 « Fri Feb 14, 2025 10:09 pm
Replies: 1
by akretschmer » Fri Feb 14, 2025 2:33 pm

1 Replies

21196 Views

Last post by manuel_engel1
Fri Feb 14, 2025 10:09 pm
Preserving crystal space group

Last post by manuel_engel1 « Fri Feb 14, 2025 9:44 pm
Replies: 3
by leonardo_zicari » Thu Feb 13, 2025 5:00 pm

3 Replies

44158 Views

Last post by manuel_engel1
Fri Feb 14, 2025 9:44 pm
MP smearing - comparison between metallic systems

Last post by manuel_engel1 « Fri Feb 14, 2025 7:34 pm
Replies: 3
by william_watson » Fri Feb 14, 2025 10:44 am

3 Replies

34075 Views

Last post by manuel_engel1
Fri Feb 14, 2025 7:34 pm
example input file for lammps using VASP ML_FF

Last post by andreas.singraber « Fri Feb 14, 2025 3:32 pm
Replies: 5
by suojiang_zhang1 » Sat Feb 08, 2025 10:07 am

5 Replies

64443 Views

Last post by andreas.singraber
Fri Feb 14, 2025 3:32 pm
General question about using NELECT

Last post by manuel_engel1 « Fri Feb 14, 2025 1:51 pm
Replies: 4
by jess_white » Thu Feb 13, 2025 2:37 am

4 Replies

42992 Views

Last post by manuel_engel1
Fri Feb 14, 2025 1:51 pm
vasp machine learning force field run

Last post by manuel_engel1 « Fri Feb 14, 2025 11:42 am
Replies: 1
by jpg » Thu Feb 13, 2025 10:29 pm

1 Replies

15275 Views

Last post by manuel_engel1
Fri Feb 14, 2025 11:42 am
LATTICE_CONSTRAINTS & IBRION = 3

Last post by manuel_engel1 « Fri Feb 14, 2025 10:12 am
Replies: 1
by reza_namakian1 » Fri Feb 14, 2025 2:12 am

1 Replies

12845 Views

Last post by manuel_engel1
Fri Feb 14, 2025 10:12 am

New Topic

5557 topics

Page 8 of 278
- Jump to page:
Previous
1
…
6
7
8
9
10
…
278
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