Using VASP

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Band structure with HSE hybrid functional

Last post by pascal_boulet1 « Tue Feb 23, 2021 7:36 pm
Replies: 2
by pascal_boulet1 » Thu Feb 18, 2021 2:16 pm

2 Replies

6838 Views

Last post by pascal_boulet1
Tue Feb 23, 2021 7:36 pm
r2SCAN in VASP 6.2.0

Last post by henrique_miranda « Tue Feb 23, 2021 11:30 am
Replies: 1
by Faber_ » Fri Feb 19, 2021 10:19 am

1 Replies

5710 Views

Last post by henrique_miranda
Tue Feb 23, 2021 11:30 am
Error while using IBRION=8

Last post by henrique_miranda « Mon Feb 22, 2021 12:29 pm
Replies: 18
by abdul_jaleel1 » Fri Jan 22, 2021 12:51 pm
1

2
18 Replies

58964 Views

Last post by henrique_miranda
Mon Feb 22, 2021 12:29 pm
Vasp 6.2.0 with Wannier 3.1.0: wrong num_wann

Last post by henrique_miranda « Thu Feb 18, 2021 12:01 pm
Replies: 3
by mistguy » Wed Feb 17, 2021 4:45 pm

3 Replies

16693 Views

Last post by henrique_miranda
Thu Feb 18, 2021 12:01 pm
Optical properties of 2D materials. Segmentation fault

Last post by henrique_miranda « Wed Feb 17, 2021 3:11 pm
Replies: 1
by abdul_jaleel1 » Wed Feb 17, 2021 7:11 am

1 Replies

5710 Views

Last post by henrique_miranda
Wed Feb 17, 2021 3:11 pm
how to setup KPOINTS file for GW band structure

Last post by henrique_miranda « Wed Feb 17, 2021 3:05 pm
Replies: 1
by che5-353 » Wed Feb 17, 2021 1:16 pm

1 Replies

4368 Views

Last post by henrique_miranda
Wed Feb 17, 2021 3:05 pm
Regarding DOS calculation

Last post by chengcheng_xiao1 « Wed Feb 17, 2021 1:16 pm
Replies: 4
by chandan_kumarvishwakarma1 » Tue Feb 09, 2021 5:55 am

4 Replies

12678 Views

Last post by chengcheng_xiao1
Wed Feb 17, 2021 1:16 pm
ACFDT-RPA in vasp 6

Last post by kdoblhoff « Tue Feb 16, 2021 10:19 am
Replies: 3
by kdoblhoff » Fri Feb 05, 2021 7:53 am

3 Replies

8825 Views

Last post by kdoblhoff
Tue Feb 16, 2021 10:19 am
Geometry Optimization with RPA

Last post by john_low1 « Mon Feb 15, 2021 8:00 pm
Replies: 10
by john_low1 » Mon Nov 16, 2020 1:14 pm

10 Replies

34253 Views

Last post by john_low1
Mon Feb 15, 2021 8:00 pm
Problem Running NEB calculations

Last post by thijs_smolders « Mon Feb 15, 2021 4:27 pm
Replies: 3
by nimali_rathnayake » Wed Feb 03, 2021 5:52 am

3 Replies

10795 Views

Last post by thijs_smolders
Mon Feb 15, 2021 4:27 pm
Troubles converging low scaling RPA for metallic systems with band crossings

Last post by merzuk.kaltak « Mon Feb 15, 2021 11:53 am
Replies: 1
by kdoblhoff » Thu Feb 11, 2021 12:50 pm

1 Replies

4939 Views

Last post by merzuk.kaltak
Mon Feb 15, 2021 11:53 am
VASP 6.2.0: How to use DFTD4?

Last post by martin.schlipf « Mon Feb 15, 2021 9:26 am
Replies: 1
by thda0531 » Fri Feb 12, 2021 9:43 am

1 Replies

5966 Views

Last post by martin.schlipf
Mon Feb 15, 2021 9:26 am
ERROR FEXCP

Last post by henrique_miranda « Fri Feb 12, 2021 5:58 pm
Replies: 7
by fabella » Thu Jul 20, 2006 7:47 pm

7 Replies

26559 Views

Last post by henrique_miranda
Fri Feb 12, 2021 5:58 pm
ERROR FEXCP: supplied Exchange-correletion table

Last post by henrique_miranda « Fri Feb 12, 2021 5:56 pm
Replies: 3
by gus.hart » Mon Feb 08, 2021 1:23 pm

3 Replies

19194 Views

Last post by henrique_miranda
Fri Feb 12, 2021 5:56 pm
Question on HSE06 in vasp.5.4.4

Last post by henrique_miranda « Wed Feb 10, 2021 5:01 pm
Replies: 1
by hong_tang1 » Tue Feb 09, 2021 6:03 am

1 Replies

4771 Views

Last post by henrique_miranda
Wed Feb 10, 2021 5:01 pm
Help me for how to choose the k-point grid

Last post by henrique_miranda « Tue Feb 09, 2021 5:29 pm
Replies: 5
by hong_tang1 » Thu Jan 21, 2021 10:49 pm

5 Replies

12475 Views

Last post by henrique_miranda
Tue Feb 09, 2021 5:29 pm
About the Magnetic Anisotropy Energy

Last post by henrique_miranda « Mon Feb 08, 2021 6:16 pm
Replies: 9
by jctung » Wed Aug 29, 2007 6:55 am

9 Replies

30982 Views

Last post by henrique_miranda
Mon Feb 08, 2021 6:16 pm
wannier90 and spin projections

Last post by henrique_miranda « Mon Feb 08, 2021 5:35 pm
Replies: 5
by michaela._fechner » Fri Feb 05, 2021 1:23 pm

5 Replies

16947 Views

Last post by henrique_miranda
Mon Feb 08, 2021 5:35 pm
SCF convergence for a big system

Last post by SKM « Sun Feb 07, 2021 9:59 am
Replies: 21
by quan.phung » Wed Feb 29, 2012 12:39 pm
1

2
21 Replies

91759 Views

Last post by SKM
Sun Feb 07, 2021 9:59 am
Not getting a spin polarised DOS in spin orbit coupling calculation

Last post by henrique_miranda « Fri Feb 05, 2021 11:31 am
Replies: 1
by scanmat_centre » Tue Feb 02, 2021 4:17 am

1 Replies

4913 Views

Last post by henrique_miranda
Fri Feb 05, 2021 11:31 am

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