Using VASP

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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

5557 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

15108 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

6824 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

3647 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

4703 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

14353 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

15191 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

3573 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

7716 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

17152 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

10416 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

32538 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

4000 Views

Last post by henrique_miranda
Fri Feb 05, 2021 11:31 am
Dipole Correction in charged bulk KTaO3 systems

Last post by henrique_miranda « Fri Feb 05, 2021 10:55 am
Replies: 5
by Bmodak » Wed Jan 27, 2021 9:13 am

5 Replies

6612 Views

Last post by henrique_miranda
Fri Feb 05, 2021 10:55 am
Polarization calculation VASP

Last post by henrique_miranda « Fri Feb 05, 2021 8:33 am
Replies: 3
by chandan_kumarvishwakarma1 » Thu Jan 28, 2021 7:28 am

3 Replies

5553 Views

Last post by henrique_miranda
Fri Feb 05, 2021 8:33 am
Is VASP capable to deal with charged slab system with NELECT?

Last post by ziyi_wang « Wed Feb 03, 2021 10:07 pm
Replies: 4
by ziyi_wang » Fri Jan 08, 2021 9:43 pm

4 Replies

6711 Views

Last post by ziyi_wang
Wed Feb 03, 2021 10:07 pm
Typo in wiki

Last post by henrique_miranda « Tue Feb 02, 2021 7:00 am
Replies: 1
by chengcheng_xiao1 » Tue Feb 02, 2021 12:15 am

1 Replies

3605 Views

Last post by henrique_miranda
Tue Feb 02, 2021 7:00 am
Problem with Langevin thermostat in NPT MD simulation

Last post by henrique_miranda « Mon Feb 01, 2021 3:43 pm
Replies: 1
by praveenkumar_hiremath1 » Thu Jan 21, 2021 10:57 am

1 Replies

4777 Views

Last post by henrique_miranda
Mon Feb 01, 2021 3:43 pm
USPP, PW91 and PBE

Last post by henrique_miranda « Mon Feb 01, 2021 10:31 am
Replies: 9
by monty-wang » Wed Jan 06, 2021 2:32 pm

9 Replies

11192 Views

Last post by henrique_miranda
Mon Feb 01, 2021 10:31 am
Regarding the incorporation of charged ions

Last post by henrique_miranda « Sat Jan 30, 2021 1:38 pm
Replies: 3
by chandan_kumarvishwakarma1 » Fri Jan 29, 2021 9:19 am

3 Replies

5243 Views

Last post by henrique_miranda
Sat Jan 30, 2021 1:38 pm

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