Using VASP

Moderators: Global Moderator, Moderator

New Topic

5338 topics

Page 109 of 267
- Jump to page:
Previous
1
…
107
108
109
110
111
…
267
Next

Topics

Replies

Views

Last post

model BSE or mBSE

Last post by chandan_kumarvishwakarma1 « Fri Aug 05, 2022 6:59 pm
Replies: 4
by chandan_kumarvishwakarma1 » Thu Aug 04, 2022 2:33 pm

4 Replies

3455 Views

Last post by chandan_kumarvishwakarma1
Fri Aug 05, 2022 6:59 pm
Elastic Constant

Last post by kazeej « Fri Aug 05, 2022 5:21 pm
Replies: 2
by kazeej » Thu Aug 04, 2022 4:31 am

2 Replies

2115 Views

Last post by kazeej
Fri Aug 05, 2022 5:21 pm
HSE + spin orbit coupling

Last post by alexey.tal « Fri Aug 05, 2022 8:48 am
Replies: 3
by vrinsom » Wed Aug 03, 2022 10:15 pm

3 Replies

3238 Views

Last post by alexey.tal
Fri Aug 05, 2022 8:48 am
SCF not converfed Ce@ZnO

Last post by alexey.tal « Tue Aug 02, 2022 10:15 am
Replies: 3
by abdul_jaleel1 » Mon Aug 01, 2022 9:13 am

3 Replies

3102 Views

Last post by alexey.tal
Tue Aug 02, 2022 10:15 am
Electric field calculations

Last post by henrique_miranda « Mon Aug 01, 2022 5:12 am
Replies: 7
by karthik_hj » Wed Jul 20, 2022 2:32 pm

7 Replies

5195 Views

Last post by henrique_miranda
Mon Aug 01, 2022 5:12 am
Voltage-Current characteristics - Electric field

Last post by henrique_miranda « Sat Jul 30, 2022 7:50 am
Replies: 5
by karthik_hj » Thu Jul 28, 2022 6:54 am

5 Replies

4227 Views

Last post by henrique_miranda
Sat Jul 30, 2022 7:50 am
Error EDDDAV: Call to ZHEGV failed. Returncode = 7 1 8 when using MBJ exchange-correlation functional

Last post by henrique_miranda « Sat Jul 30, 2022 7:31 am
Replies: 7
by rishikanta_m » Mon Jul 25, 2022 11:03 am

7 Replies

34816 Views

Last post by henrique_miranda
Sat Jul 30, 2022 7:31 am
External field units

Last post by henrique_miranda « Fri Jul 29, 2022 2:00 pm
Replies: 1
by tfrankcombe » Thu Mar 29, 2018 6:14 am

1 Replies

2839 Views

Last post by henrique_miranda
Fri Jul 29, 2022 2:00 pm
Meaning of DAV and RMM in the OSZICAR file

Last post by henrique_miranda « Thu Jul 28, 2022 9:07 am
Replies: 1
by kazeej » Thu Jul 28, 2022 5:50 am

1 Replies

3013 Views

Last post by henrique_miranda
Thu Jul 28, 2022 9:07 am
Consultation on the post processing of phonon calculation (IBRION=6)

Last post by xiancai « Wed Jul 27, 2022 1:15 pm
Replies: 2
by xiancai » Wed Jul 27, 2022 7:08 am

2 Replies

2381 Views

Last post by xiancai
Wed Jul 27, 2022 1:15 pm
Using Py4vasp

Last post by henrique_miranda « Wed Jul 27, 2022 11:34 am
Replies: 3
by kazeej » Tue Jul 26, 2022 10:53 am

3 Replies

3103 Views

Last post by henrique_miranda
Wed Jul 27, 2022 11:34 am
implementation of the energy grids for XANES calculations

Last post by fanchem « Fri Jul 22, 2022 1:21 pm
Replies: 4
by fanchem » Tue Jul 19, 2022 6:55 pm

4 Replies

3137 Views

Last post by fanchem
Fri Jul 22, 2022 1:21 pm
Density of states at Higher number of k points

Last post by rishikanta_m « Fri Jul 22, 2022 12:44 pm
Replies: 4
by rishikanta_m » Sat Jul 16, 2022 11:38 am

4 Replies

3379 Views

Last post by rishikanta_m
Fri Jul 22, 2022 12:44 pm
inconsistency VASP 6.1.2 vs. VASP 6.2 and 6.3 in output of RPA energies

Last post by kdoblhoff « Wed Jul 20, 2022 12:14 pm
Replies: 2
by kdoblhoff » Tue Jul 12, 2022 1:07 pm

2 Replies

2576 Views

Last post by kdoblhoff
Wed Jul 20, 2022 12:14 pm
Can we combine HSE06/Wannier band calculations with Optical property computations?

Last post by fabien_tran1 « Mon Jul 18, 2022 1:13 pm
Replies: 3
by SKM » Sat Jul 16, 2022 2:02 pm

3 Replies

2337 Views

Last post by fabien_tran1
Mon Jul 18, 2022 1:13 pm
Bandstructure with SOC

Last post by fabien_tran1 « Thu Jul 14, 2022 1:50 pm
Replies: 12
by rishikanta_m » Mon Jul 04, 2022 2:39 am

12 Replies

7440 Views

Last post by fabien_tran1
Thu Jul 14, 2022 1:50 pm
VASP 6.3.1 with Wannier90 3.1.0: Segmentation fault

Last post by henrique_miranda « Thu Jul 14, 2022 11:37 am
Replies: 1
by dixiao » Wed Jul 13, 2022 10:36 pm

1 Replies

2862 Views

Last post by henrique_miranda
Thu Jul 14, 2022 11:37 am
RPA forces

Last post by fabien_tran1 « Wed Jul 13, 2022 8:54 am
Replies: 3
by kdoblhoff » Mon Jul 11, 2022 8:32 am

3 Replies

2829 Views

Last post by fabien_tran1
Wed Jul 13, 2022 8:54 am
Metadynamics Simulation: How to define collective variables

Last post by fabien_tran1 « Mon Jul 11, 2022 8:22 am
Replies: 8
by psriv » Mon Feb 22, 2016 2:07 pm

8 Replies

13104 Views

Last post by fabien_tran1
Mon Jul 11, 2022 8:22 am
Error: SHAKE algorithm did not converge!

Last post by duccoi « Mon Jul 11, 2022 8:14 am
Replies: 6
by duccoi » Sun Jul 10, 2022 8:44 am

6 Replies

4185 Views

Last post by duccoi
Mon Jul 11, 2022 8:14 am

New Topic

5338 topics

Page 109 of 267
- Jump to page:
Previous
1
…
107
108
109
110
111
…
267
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