Using VASP

Moderators: Global Moderator, Moderator

New Topic

5590 topics

Page 99 of 280
- Jump to page:
Previous
1
…
97
98
99
100
101
…
280
Next

Topics

Replies

Views

Last post

Energy doesn't change under different external field

Last post by shi_li « Tue Jan 02, 2024 3:27 pm
Replies: 4
by shi_li » Wed Dec 20, 2023 6:27 pm

4 Replies

4731 Views

Last post by shi_li
Tue Jan 02, 2024 3:27 pm
Restarting VASP_ML with modified ML_AB file

Last post by ferenc_karsai « Tue Jan 02, 2024 10:31 am
Replies: 3
by askhetan » Wed Dec 20, 2023 5:54 pm

3 Replies

4085 Views

Last post by ferenc_karsai
Tue Jan 02, 2024 10:31 am
HSE06 calculation doesn't start

Last post by pedro_melo « Wed Dec 27, 2023 10:31 am
Replies: 1
by william_watson » Thu Dec 21, 2023 10:38 pm

1 Replies

3013 Views

Last post by pedro_melo
Wed Dec 27, 2023 10:31 am
TEBEG and translational energy in AIMD simulation

Last post by nidhi_tiwari « Mon Dec 25, 2023 2:26 pm
Replies: 1
by nidhi_tiwari » Sat Dec 23, 2023 6:08 pm

1 Replies

2971 Views

Last post by nidhi_tiwari
Mon Dec 25, 2023 2:26 pm
Generalised Bloch theorem method for phonon calculation

Last post by payal_saha « Fri Dec 22, 2023 10:25 am
Replies: 2
by payal_saha » Thu Dec 21, 2023 12:55 pm

2 Replies

3547 Views

Last post by payal_saha
Fri Dec 22, 2023 10:25 am
BRMIX: old and new charge density differ warning for doping calculations

Last post by sophie_weber « Thu Dec 21, 2023 5:22 pm
Replies: 3
by sophie_weber » Thu Dec 21, 2023 3:56 pm

3 Replies

3780 Views

Last post by sophie_weber
Thu Dec 21, 2023 5:22 pm
Need of supercell in phonon calculation using the DFPT method

Last post by payal_saha « Thu Dec 21, 2023 12:46 pm
Replies: 3
by payal_saha » Tue Dec 19, 2023 1:15 pm

3 Replies

4894 Views

Last post by payal_saha
Thu Dec 21, 2023 12:46 pm
GoWo followed by SCF calculations

Last post by pedro_melo « Thu Dec 21, 2023 11:38 am
Replies: 1
by ahsan_javed » Thu Dec 21, 2023 10:46 am

1 Replies

2536 Views

Last post by pedro_melo
Thu Dec 21, 2023 11:38 am
HSE06 Calculation stops after 4 electronic steps

Last post by mwuensch « Wed Dec 20, 2023 3:30 pm
Replies: 2
by mwuensch » Mon Dec 11, 2023 1:21 pm

2 Replies

3560 Views

Last post by mwuensch
Wed Dec 20, 2023 3:30 pm
How to obtain an output of full wavefunction.

Last post by pedro_melo « Tue Dec 19, 2023 4:53 pm
Replies: 1
by sumanti_patra » Tue Dec 19, 2023 12:37 pm

1 Replies

2186 Views

Last post by pedro_melo
Tue Dec 19, 2023 4:53 pm
Increasing number of symmetry issues with VASP 6

Last post by aaron_kaplan2 « Mon Dec 18, 2023 6:23 pm
Replies: 2
by aaron_kaplan2 » Thu Dec 14, 2023 7:58 pm

2 Replies

4178 Views

Last post by aaron_kaplan2
Mon Dec 18, 2023 6:23 pm
Energy Drift AIMD NVT with Nose-Hoover Thermostat

Last post by graham_pritchard « Mon Dec 18, 2023 3:30 pm
Replies: 2
by graham_pritchard » Sun Dec 17, 2023 4:54 pm

2 Replies

4013 Views

Last post by graham_pritchard
Mon Dec 18, 2023 3:30 pm
Spinors in vasp 6.2.1 with Wannier90 3.1.0 - wrong number wannier projection

Last post by manuel_engel1 « Mon Dec 18, 2023 1:14 pm
Replies: 1
by valln59 » Sun Dec 17, 2023 10:38 pm

1 Replies

3289 Views

Last post by manuel_engel1
Mon Dec 18, 2023 1:14 pm
VDW_C6 Tag Value for Pt in PBE+D2 Correction

Last post by fabien_tran1 « Sat Dec 16, 2023 5:23 pm
Replies: 3
by nidhi_tiwari » Fri Dec 15, 2023 5:35 pm

3 Replies

3554 Views

Last post by fabien_tran1
Sat Dec 16, 2023 5:23 pm
Unexpected Termination of VASP Simulation

Last post by burakgurlek « Sat Dec 16, 2023 11:40 am
Replies: 4
by burakgurlek » Thu Dec 14, 2023 10:33 am

4 Replies

4793 Views

Last post by burakgurlek
Sat Dec 16, 2023 11:40 am
derivation of BSE oscillator strengths and dielectric function

Last post by awang95 « Fri Dec 15, 2023 8:33 pm
Replies: 2
by awang95 » Wed Dec 13, 2023 2:41 am

2 Replies

3001 Views

Last post by awang95
Fri Dec 15, 2023 8:33 pm
BSE oscillator strength from EVGW0 and QPGW0

Last post by michal_otyepka1 « Thu Dec 14, 2023 8:25 am
Replies: 6
by michal_otyepka1 » Mon Dec 11, 2023 4:40 pm

6 Replies

4596 Views

Last post by michal_otyepka1
Thu Dec 14, 2023 8:25 am
Differences in convergence behaviour of ionic relaxation. How to get better force convergence?

Last post by garethb « Wed Dec 13, 2023 2:15 am
Replies: 8
by garethb » Mon Dec 04, 2023 8:54 pm

8 Replies

11018 Views

Last post by garethb
Wed Dec 13, 2023 2:15 am
A and B Excitons

Last post by alexey.tal « Tue Dec 12, 2023 10:28 am
Replies: 5
by ahsan_javed » Fri Dec 01, 2023 1:15 pm

5 Replies

7678 Views

Last post by alexey.tal
Tue Dec 12, 2023 10:28 am
Convergence problem

Last post by alok_shukla1 « Mon Dec 11, 2023 10:26 am
Replies: 4
by alok_shukla1 » Mon Dec 11, 2023 1:22 am

4 Replies

3954 Views

Last post by alok_shukla1
Mon Dec 11, 2023 10:26 am

New Topic

5590 topics

Page 99 of 280
- Jump to page:
Previous
1
…
97
98
99
100
101
…
280
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