Using VASP

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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

7964 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
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2
21 Replies

24639 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

3017 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

4674 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

3958 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

4978 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

2550 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

3476 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

8524 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

4124 Views

Last post by henrique_miranda
Sat Jan 30, 2021 1:38 pm
Problems simulating Cu 211 facet

Last post by henrique_miranda « Tue Jan 26, 2021 10:10 am
Replies: 5
by ian_brewis » Tue Jan 19, 2021 11:36 am

5 Replies

7552 Views

Last post by henrique_miranda
Tue Jan 26, 2021 10:10 am
A question on potcars PBE/GGA and vasp

Last post by henrique_miranda « Tue Jan 26, 2021 7:53 am
Replies: 1
by azade_yazdan » Wed Jan 20, 2021 9:26 am

1 Replies

2991 Views

Last post by henrique_miranda
Tue Jan 26, 2021 7:53 am
exciton fine splitting from BSE

Last post by henrique_miranda « Mon Jan 25, 2021 12:58 pm
Replies: 11
by pooja_basera » Fri Jan 15, 2021 11:19 am

11 Replies

6998 Views

Last post by henrique_miranda
Mon Jan 25, 2021 12:58 pm
A problem about symmetry output

Last post by henrique_miranda « Wed Jan 20, 2021 8:29 pm
Replies: 1
by ke_xu_1 » Wed Jan 20, 2021 12:57 pm

1 Replies

2360 Views

Last post by henrique_miranda
Wed Jan 20, 2021 8:29 pm
Macroscopic dielectric properties

Last post by henrique_miranda « Wed Jan 20, 2021 8:24 pm
Replies: 1
by yun-wen_chen » Wed Jan 20, 2021 4:44 pm

1 Replies

2364 Views

Last post by henrique_miranda
Wed Jan 20, 2021 8:24 pm
LOCPOT Format

Last post by henrique_miranda « Mon Jan 18, 2021 8:21 pm
Replies: 1
by brocks » Tue Apr 24, 2007 11:29 am

1 Replies

4662 Views

Last post by henrique_miranda
Mon Jan 18, 2021 8:21 pm
POTCAR for Xe (4d10 5s2 5p6)

Last post by henrique_miranda « Mon Jan 18, 2021 7:19 pm
Replies: 1
by busheng_wang1 » Mon Jan 18, 2021 1:01 pm

1 Replies

2291 Views

Last post by henrique_miranda
Mon Jan 18, 2021 7:19 pm
Release of MLFF

Last post by henrique_miranda « Mon Jan 18, 2021 4:19 pm
Replies: 1
by dongtony » Sun Jan 17, 2021 11:41 pm

1 Replies

2571 Views

Last post by henrique_miranda
Mon Jan 18, 2021 4:19 pm
Regarding internal error in SET_CORE_WF

Last post by henrique_miranda « Fri Jan 15, 2021 2:39 pm
Replies: 9
by chandan_kumarvishwakarma1 » Wed Oct 28, 2020 10:56 am

9 Replies

8777 Views

Last post by henrique_miranda
Fri Jan 15, 2021 2:39 pm
vibrational frequency of H-D molecule

Last post by henrique_miranda « Wed Jan 13, 2021 10:09 pm
Replies: 3
by musharaf_vasp » Tue Jan 12, 2021 12:07 pm

3 Replies

3243 Views

Last post by henrique_miranda
Wed Jan 13, 2021 10:09 pm

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