Using VASP

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Last post by admin « Mon Sep 24, 2018 1:44 pm

by admin » Mon Sep 24, 2018 1:44 pm

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invoked from within error during nanotube relaxation

Last post by alexey.tal « Wed Jan 26, 2022 5:26 pm
Replies: 3
by aniket_singha » Tue Jan 25, 2022 5:11 am

3 Replies

77 Views

Last post by alexey.tal
Wed Jan 26, 2022 5:26 pm
unexpected MD results

Last post by maria_dresser « Wed Jan 26, 2022 4:12 pm
Replies: 9
by maria_dresser » Thu Jan 20, 2022 6:45 pm

9 Replies

186 Views

Last post by maria_dresser
Wed Jan 26, 2022 4:12 pm
How to download vasp pseudopotentials and LDA pseudopotential of Barium

Last post by jinghang_dai1 « Wed Jan 26, 2022 3:22 pm

by jinghang_dai1 » Wed Jan 26, 2022 3:22 pm

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Last post by jinghang_dai1
Wed Jan 26, 2022 3:22 pm
How to run MD with Duterium

Last post by alexey.tal « Wed Jan 26, 2022 2:08 pm
Replies: 1
by ark245 » Tue Jan 25, 2022 6:54 pm

1 Replies

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Last post by alexey.tal
Wed Jan 26, 2022 2:08 pm
noncollinear spin-orbit calculation not converging

Last post by alexey.tal « Wed Jan 26, 2022 12:56 pm
Replies: 3
by alpinnovianus » Fri Jan 21, 2022 3:11 pm

3 Replies

100 Views

Last post by alexey.tal
Wed Jan 26, 2022 12:56 pm
Total electronic energy

Last post by Robert « Wed Jan 26, 2022 9:44 am

by Robert » Wed Jan 26, 2022 9:44 am

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Last post by Robert
Wed Jan 26, 2022 9:44 am
BSE Tutorial - WAVEDER file missing

Last post by Jatin19k « Wed Jan 26, 2022 5:22 am
Replies: 7
by Jatin19k » Tue Jan 11, 2022 11:01 pm

7 Replies

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Last post by Jatin19k
Wed Jan 26, 2022 5:22 am
Geometry relaxation of large system

Last post by SKM « Tue Jan 25, 2022 4:03 pm
Replies: 8
by SKM » Thu Jan 13, 2022 3:04 pm

8 Replies

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Last post by SKM
Tue Jan 25, 2022 4:03 pm
Yb_2 as the "recommended" pseudopotential

Last post by andrew_rosen « Tue Jan 25, 2022 10:08 am

by andrew_rosen » Tue Jan 25, 2022 10:08 am

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Last post by andrew_rosen
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Documentation absent for libxc

Last post by mkhorton « Mon Jan 24, 2022 6:28 pm
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by mkhorton » Thu Jan 28, 2021 5:41 pm

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Mon Jan 24, 2022 6:28 pm
Information requested on tetrahedral integration bug fix in v6.1.0

Last post by mkhorton « Mon Jan 24, 2022 6:25 pm
Replies: 6
by mkhorton » Tue Jul 27, 2021 6:10 pm

6 Replies

1052 Views

Last post by mkhorton
Mon Jan 24, 2022 6:25 pm
Difference Current-Current / Density-Density Picture

Last post by Vasp1a « Mon Jan 24, 2022 1:56 pm
Replies: 2
by Vasp1a » Fri Jan 14, 2022 12:37 pm

2 Replies

138 Views

Last post by Vasp1a
Mon Jan 24, 2022 1:56 pm
band structure and density of states calculation for meta-GGAs

Last post by fabien_tran1 « Mon Jan 24, 2022 9:58 am
Replies: 1
by alpinnovianus » Wed Dec 29, 2021 8:10 pm

1 Replies

393 Views

Last post by fabien_tran1
Mon Jan 24, 2022 9:58 am
HSE06 calculation for 2D materials

Last post by ruva17 « Sun Jan 23, 2022 4:50 pm
Replies: 5
by ashima29 » Fri Jun 22, 2018 2:05 pm

5 Replies

1497 Views

Last post by ruva17
Sun Jan 23, 2022 4:50 pm
Problem with real and imaginary part of dielectric functions

Last post by alexey.tal « Mon Jan 17, 2022 12:44 pm
Replies: 5
by chandan_kumarvishwakarma1 » Wed Jan 12, 2022 1:42 pm

5 Replies

629 Views

Last post by alexey.tal
Mon Jan 17, 2022 12:44 pm
Structural relaxation in the presence of core holes

Last post by bo_peng « Fri Jan 14, 2022 7:04 pm
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by bo_peng » Thu Mar 04, 2021 1:19 am

2 Replies

526 Views

Last post by bo_peng
Fri Jan 14, 2022 7:04 pm
Spinors in vasp 6.2.1 with Wannier90 3.1.0

Last post by yang-hao_chan1 « Fri Jan 14, 2022 5:58 am
Replies: 2
by yang-hao_chan1 » Thu Dec 23, 2021 3:26 pm

2 Replies

557 Views

Last post by yang-hao_chan1
Fri Jan 14, 2022 5:58 am
LTRIPLET in SOC calculation

Last post by alexey.tal « Thu Jan 13, 2022 3:52 pm
Replies: 1
by yuanchang_li » Wed Jan 12, 2022 1:21 pm

1 Replies

281 Views

Last post by alexey.tal
Thu Jan 13, 2022 3:52 pm
Charge surface calculation

Last post by fabien_tran1 « Tue Jan 11, 2022 9:44 am
Replies: 1
by tanay11 » Mon Jan 10, 2022 11:08 pm

1 Replies

434 Views

Last post by fabien_tran1
Tue Jan 11, 2022 9:44 am

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