Using VASP

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Problem in visualisation/plots after Phonon calculation using Phonopy

Last post by fabien_tran1 « Tue Nov 21, 2023 8:25 am
Replies: 1
by ybatraiuac@gmail.com » Tue Nov 21, 2023 5:36 am

1 Replies

1473 Views

Last post by fabien_tran1
Tue Nov 21, 2023 8:25 am
meaning of PARCHG for unoccupied bands

Last post by awang95 « Mon Nov 20, 2023 5:09 pm
Replies: 2
by awang95 » Mon Nov 20, 2023 6:41 am

2 Replies

1719 Views

Last post by awang95
Mon Nov 20, 2023 5:09 pm
LEPSILON with metaGGA

Last post by fabien_tran1 « Mon Nov 20, 2023 11:14 am
Replies: 1
by hamza_bouafia_LGP » Wed Nov 15, 2023 9:57 am

1 Replies

1153 Views

Last post by fabien_tran1
Mon Nov 20, 2023 11:14 am
Error in wannier calculation using VASP6.4.1

Last post by henrique_miranda « Mon Nov 20, 2023 7:37 am
Replies: 1
by nirmal_ganguli2 » Mon Nov 20, 2023 6:09 am

1 Replies

1287 Views

Last post by henrique_miranda
Mon Nov 20, 2023 7:37 am
Error "Neighbour not found" Wannier90

Last post by henrique_miranda « Fri Nov 17, 2023 3:54 pm
Replies: 1
by francesco_delodovici » Fri Nov 17, 2023 11:16 am

1 Replies

1304 Views

Last post by henrique_miranda
Fri Nov 17, 2023 3:54 pm
questions about CHGCAR from TD-DFT

Last post by awang95 « Thu Nov 16, 2023 4:55 pm
Replies: 2
by awang95 » Wed Nov 15, 2023 11:39 pm

2 Replies

1532 Views

Last post by awang95
Thu Nov 16, 2023 4:55 pm
ionic relaxation and PES in the excited state (TDDFT or GW/BSE)?

Last post by awang95 « Thu Nov 16, 2023 4:54 pm
Replies: 2
by awang95 » Wed Nov 15, 2023 7:23 pm

2 Replies

1377 Views

Last post by awang95
Thu Nov 16, 2023 4:54 pm
Several questions about ML_ff in VASP

Last post by rwindiks « Thu Nov 16, 2023 10:10 am
Replies: 3
by suojiang_zhang1 » Tue Nov 14, 2023 9:44 am

3 Replies

2707 Views

Last post by rwindiks
Thu Nov 16, 2023 10:10 am
vasp minimization run exits without printing a useful error

Last post by henrique_miranda « Wed Nov 15, 2023 6:08 am
Replies: 1
by jpg » Tue Nov 14, 2023 7:52 pm

1 Replies

1216 Views

Last post by henrique_miranda
Wed Nov 15, 2023 6:08 am
Questions about optB88-vdW settings

Last post by jun_yin2 « Wed Nov 15, 2023 12:50 am
Replies: 2
by jun_yin2 » Tue Nov 14, 2023 1:17 pm

2 Replies

1348 Views

Last post by jun_yin2
Wed Nov 15, 2023 12:50 am
internal ERROR: LINEAR_RESPONSE_DIIS matrix is zero, try to call with LRESET

Last post by jpg « Tue Nov 14, 2023 5:37 pm
Replies: 3
by jpg » Mon Nov 13, 2023 3:44 am

3 Replies

1666 Views

Last post by jpg
Tue Nov 14, 2023 5:37 pm
Give initial velocity in POSCAR for Ab Initio Molecular Dynamics

Last post by henrique_miranda « Mon Nov 13, 2023 1:03 pm
Replies: 1
by Seunghwan_Kwon » Mon Nov 13, 2023 5:07 am

1 Replies

1281 Views

Last post by henrique_miranda
Mon Nov 13, 2023 1:03 pm
Availability of previous POTCAR files

Last post by kevintibbetts « Tue Nov 07, 2023 6:44 pm
Replies: 2
by kevintibbetts » Fri Nov 03, 2023 1:50 pm

2 Replies

3951 Views

Last post by kevintibbetts
Tue Nov 07, 2023 6:44 pm
Concatenating band structure plots using py4vasp

Last post by henrique_miranda « Tue Nov 07, 2023 8:14 am
Replies: 1
by hatedark1 » Mon Nov 06, 2023 6:39 pm

1 Replies

8400 Views

Last post by henrique_miranda
Tue Nov 07, 2023 8:14 am
VASP_GPU Performance Issue

Last post by marie-therese.huebsch « Mon Nov 06, 2023 11:26 am
Replies: 1
by burakgurlek » Tue Oct 24, 2023 1:12 pm

1 Replies

4051 Views

Last post by marie-therese.huebsch
Mon Nov 06, 2023 11:26 am
VASP stops LCALCPOL berry phase calculation by incorrectly identifying semiconductor as metal

Last post by pedro_melo « Mon Nov 06, 2023 9:57 am
Replies: 2
by anish_kumar » Fri Jul 14, 2023 1:17 am

2 Replies

13958 Views

Last post by pedro_melo
Mon Nov 06, 2023 9:57 am
Can MLFF way be effective in studying magnetic materials?

Last post by ferenc_karsai « Mon Nov 06, 2023 8:37 am
Replies: 1
by wdovew » Tue Oct 31, 2023 2:43 pm

1 Replies

8371 Views

Last post by ferenc_karsai
Mon Nov 06, 2023 8:37 am
Stress matrix after NEB project (eV)

Last post by martin.schlipf « Mon Nov 06, 2023 8:13 am
Replies: 3
by madhavan_nampoothiri » Fri Oct 20, 2023 9:27 am

3 Replies

12462 Views

Last post by martin.schlipf
Mon Nov 06, 2023 8:13 am
Error related to vasp6.4 with GPU installation on HPC

Last post by mukhtiyar_singh « Sun Nov 05, 2023 3:58 am
Replies: 7
by mukhtiyar_singh » Sat Sep 23, 2023 3:27 am

7 Replies

22224 Views

Last post by mukhtiyar_singh
Sun Nov 05, 2023 3:58 am
Is there an option to relax a crystal in the xy direction only without changing the z direction?

Last post by sylvester_makumi « Fri Nov 03, 2023 6:53 pm
Replies: 2
by sylvester_makumi » Sun Aug 20, 2023 7:13 pm

2 Replies

7584 Views

Last post by sylvester_makumi
Fri Nov 03, 2023 6:53 pm

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