Using VASP

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Inconsistent dipole moment value for 2d ferroelectric material

Last post by fabien_tran1 « Tue May 20, 2025 9:36 pm
Replies: 5
by yujia_teng » Fri May 02, 2025 2:11 am

5 Replies

13377 Views

Last post by fabien_tran1
Tue May 20, 2025 9:36 pm
Error when using HSE hybrid functional and IVdW in version 6

Last post by vvildosola « Tue May 20, 2025 7:14 pm
Replies: 13
by vvildosola » Wed Feb 21, 2024 2:10 pm

13 Replies

20618 Views

Last post by vvildosola
Tue May 20, 2025 7:14 pm
wannier90.amn files not being produced

Last post by sakidja_577 « Tue May 20, 2025 4:46 pm
Replies: 8
by sakidja_577 » Sat Nov 16, 2024 5:05 pm

8 Replies

29941 Views

Last post by sakidja_577
Tue May 20, 2025 4:46 pm
Memory issue with TDDFT calculation

Last post by shweta_choudhary « Tue May 20, 2025 12:12 pm
Replies: 16
by shweta_choudhary » Fri May 02, 2025 10:20 am
1

2
16 Replies

31892 Views

Last post by shweta_choudhary
Tue May 20, 2025 12:12 pm
No DFT-D parameters for this functional. They have to beassigned manually in INCAR.

Last post by Kun Tao « Sun May 18, 2025 11:06 pm
Replies: 2
by Kun Tao » Sun May 18, 2025 7:24 am

2 Replies

2892 Views

Last post by Kun Tao
Sun May 18, 2025 11:06 pm
G0W0R output clarification

Last post by bprobinson102 « Fri May 16, 2025 3:28 pm
Replies: 2
by bprobinson102 » Thu May 15, 2025 9:52 pm

2 Replies

5863 Views

Last post by bprobinson102
Fri May 16, 2025 3:28 pm
Issue with LORBIT = 11/12 and Empty DOSCAR File in VASP 5.4.4 GPU Version

Last post by alok_shukla1 « Fri May 16, 2025 1:31 pm
Replies: 4
by alok_shukla1 » Wed May 14, 2025 7:22 am

4 Replies

9100 Views

Last post by alok_shukla1
Fri May 16, 2025 1:31 pm
LPEAD for gamma-only

Last post by jonathan_lahnsteiner2 « Fri May 16, 2025 1:12 pm
Replies: 1
by xiaoming_wang » Mon May 12, 2025 6:07 pm

1 Replies

4548 Views

Last post by jonathan_lahnsteiner2
Fri May 16, 2025 1:12 pm
plotting absorption coefficient and other optical results using py4vasp

Last post by jonathan_lahnsteiner2 « Fri May 16, 2025 11:33 am
Replies: 1
by asiyeh_shokri2 » Fri May 16, 2025 11:07 am

1 Replies

3095 Views

Last post by jonathan_lahnsteiner2
Fri May 16, 2025 11:33 am
When running the simulations, it shows "invalid memory reference"

Last post by manoj_wijesingha « Thu May 15, 2025 7:07 pm
Replies: 3
by manoj_wijesingha » Tue May 13, 2025 7:30 pm

3 Replies

5421 Views

Last post by manoj_wijesingha
Thu May 15, 2025 7:07 pm
Thermal Expansion using MLFF

Last post by ferenc_karsai « Thu May 15, 2025 1:34 pm
Replies: 8
by Fermi1976 » Tue Apr 22, 2025 7:11 pm

8 Replies

33602 Views

Last post by ferenc_karsai
Thu May 15, 2025 1:34 pm
seg fault

Last post by jpg « Wed May 14, 2025 8:42 pm
Replies: 2
by jpg » Mon May 12, 2025 6:08 pm

2 Replies

6070 Views

Last post by jpg
Wed May 14, 2025 8:42 pm
Sudden jumps in MLFF energies

Last post by xiaolin_liu1 « Tue May 13, 2025 8:32 pm
Replies: 4
by xiaolin_liu1 » Mon May 12, 2025 5:32 pm

4 Replies

6768 Views

Last post by xiaolin_liu1
Tue May 13, 2025 8:32 pm
A serious error: distance between some ions is very small

Last post by jonathan_lahnsteiner2 « Tue May 13, 2025 4:32 pm
Replies: 1
by bhagyashridevaru_bhat » Tue May 13, 2025 10:58 am

1 Replies

3905 Views

Last post by jonathan_lahnsteiner2
Tue May 13, 2025 4:32 pm
Fermi energy in the conduction band with some functionnals

Last post by jonathan_lahnsteiner2 « Tue May 13, 2025 9:39 am
Replies: 5
by Pierre_Beaujean » Wed May 07, 2025 2:01 pm

5 Replies

8479 Views

Last post by jonathan_lahnsteiner2
Tue May 13, 2025 9:39 am
internal ERROR SETYLM_AUG

Last post by speelman_tom « Tue May 13, 2025 9:31 am
Replies: 2
by speelman_tom » Tue May 13, 2025 8:14 am

2 Replies

2889 Views

Last post by speelman_tom
Tue May 13, 2025 9:31 am
VCA in alloy

Last post by michael_wolloch « Mon May 12, 2025 1:35 pm
Replies: 12
by kaynat_kalvi » Mon Apr 14, 2025 11:05 am

12 Replies

134215 Views

Last post by michael_wolloch
Mon May 12, 2025 1:35 pm
Calculating exciton binding energy of α-Al2O3

Last post by jonathan_lahnsteiner2 « Mon May 12, 2025 12:14 pm
Replies: 3
by Jike.Wang » Thu May 08, 2025 11:31 am

3 Replies

6325 Views

Last post by jonathan_lahnsteiner2
Mon May 12, 2025 12:14 pm
Regarding using VASP for a different project

Last post by jonathan_lahnsteiner2 « Mon May 12, 2025 12:07 pm
Replies: 1
by Nishat Tasnim Hiramony » Sat May 10, 2025 5:23 am

1 Replies

3804 Views

Last post by jonathan_lahnsteiner2
Mon May 12, 2025 12:07 pm
Band structure calculations stop with "WARNING: stress and forces are not correct"

Last post by jonathan_lahnsteiner2 « Mon May 12, 2025 7:06 am
Replies: 1
by shweta_choudhary » Sun May 11, 2025 3:28 pm

1 Replies

2340 Views

Last post by jonathan_lahnsteiner2
Mon May 12, 2025 7:06 am

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