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Optimization after application of Strain (Uniaxial or biaxial)

Last post by rishikanta_m « Tue Sep 13, 2022 4:23 am

by rishikanta_m » Tue Sep 13, 2022 4:23 am

0 Replies

373 Views

Last post by rishikanta_m
Tue Sep 13, 2022 4:23 am
do we need to keep WAVECAR/ CHGCAR / CHG files after PBE band computed?

Last post by SKM « Thu Sep 08, 2022 5:03 pm
Replies: 2
by SKM » Mon Sep 05, 2022 1:34 am

2 Replies

392 Views

Last post by SKM
Thu Sep 08, 2022 5:03 pm
Pseudopotentials

Last post by alexey.tal « Fri Aug 12, 2022 3:04 pm
Replies: 1
by kazeej » Fri Aug 05, 2022 5:22 pm

1 Replies

1075 Views

Last post by alexey.tal
Fri Aug 12, 2022 3:04 pm
Superconductivity

Last post by henrique_miranda « Thu Jul 28, 2022 3:33 pm
Replies: 3
by sarga_pk » Wed Jul 27, 2022 9:48 am

3 Replies

1447 Views

Last post by henrique_miranda
Thu Jul 28, 2022 3:33 pm
Dimer Method for NEB Calculations.

Last post by henrique_miranda « Wed Jul 27, 2022 6:03 am
Replies: 1
by thilini_boteju » Mon Jul 25, 2022 4:57 pm

1 Replies

801 Views

Last post by henrique_miranda
Wed Jul 27, 2022 6:03 am
Emission spectra of materials

Last post by henrique_miranda « Mon Jul 25, 2022 12:45 pm
Replies: 3
by rishikanta_m » Fri Jul 22, 2022 12:59 pm

3 Replies

1146 Views

Last post by henrique_miranda
Mon Jul 25, 2022 12:45 pm
Using VTST-how to use nebmake.pl script

Last post by bipin_lamichhane1 « Wed Jun 29, 2022 3:16 pm
Replies: 2
by gu301purdue » Mon Jun 06, 2022 1:12 am

2 Replies

1669 Views

Last post by bipin_lamichhane1
Wed Jun 29, 2022 3:16 pm
Supercells

Last post by weronika_walkosz3 « Tue Jun 28, 2022 6:15 pm
Replies: 3
by weronika_walkosz3 » Mon Jun 27, 2022 8:45 pm

3 Replies

1344 Views

Last post by weronika_walkosz3
Tue Jun 28, 2022 6:15 pm
wrong Spin multiplicity result

Last post by fabien_tran1 « Wed Jun 22, 2022 8:24 am
Replies: 5
by min_gao » Tue Jun 21, 2022 7:50 am

5 Replies

1678 Views

Last post by fabien_tran1
Wed Jun 22, 2022 8:24 am
peculiar geometry convergence problem

Last post by martin.schlipf « Fri Jun 10, 2022 6:33 am
Replies: 13
by SKM » Fri Jun 03, 2022 11:50 am

13 Replies

3838 Views

Last post by martin.schlipf
Fri Jun 10, 2022 6:33 am
The space group of a system with and without SOC.

Last post by hszhao.cn@gmail.com « Fri Apr 01, 2022 7:32 am

by hszhao.cn@gmail.com » Fri Apr 01, 2022 7:32 am

0 Replies

2284 Views

Last post by hszhao.cn@gmail.com
Fri Apr 01, 2022 7:32 am
About the non-collinear projected magnetization formula used by vasp.

Last post by hszhao.cn@gmail.com « Fri Apr 01, 2022 7:06 am

by hszhao.cn@gmail.com » Fri Apr 01, 2022 7:06 am

0 Replies

1414 Views

Last post by hszhao.cn@gmail.com
Fri Apr 01, 2022 7:06 am
Multiplicity Factor from KPOINTS

Last post by Vasp1a « Tue Mar 29, 2022 12:21 pm

by Vasp1a » Tue Mar 29, 2022 12:21 pm

0 Replies

1486 Views

Last post by Vasp1a
Tue Mar 29, 2022 12:21 pm
Initial positive energy in HSE06 band structure calculations

Last post by alexey.tal « Tue Mar 29, 2022 11:34 am
Replies: 1
by ruva17 » Wed Jan 12, 2022 1:25 pm

1 Replies

2639 Views

Last post by alexey.tal
Tue Mar 29, 2022 11:34 am
Underestimation of hyperfine constant

Last post by hongyang_ma « Fri Mar 25, 2022 7:50 am
Replies: 2
by hongyang_ma » Mon Mar 21, 2022 6:29 am

2 Replies

2430 Views

Last post by hongyang_ma
Fri Mar 25, 2022 7:50 am
Binding energies in VASP

Last post by alex « Fri Mar 18, 2022 7:49 am
Replies: 1
by madhu_menon2 » Wed Mar 16, 2022 9:24 pm

1 Replies

1958 Views

Last post by alex
Fri Mar 18, 2022 7:49 am
About rescaling k-point grid in supercell calculations

Last post by ferenc_karsai « Mon Mar 07, 2022 7:10 am
Replies: 1
by alpinnovianus » Sun Mar 06, 2022 12:55 pm

1 Replies

2118 Views

Last post by ferenc_karsai
Mon Mar 07, 2022 7:10 am
Sharing bash scripts about post processing

Last post by marie-therese.huebsch « Thu Feb 10, 2022 6:12 am
Replies: 1
by Jatin19k » Fri Feb 04, 2022 2:01 am

1 Replies

2378 Views

Last post by marie-therese.huebsch
Thu Feb 10, 2022 6:12 am
VASP6.21_Instalation

Last post by gul_rahman_pak « Wed Jan 26, 2022 5:33 pm

by gul_rahman_pak » Wed Jan 26, 2022 5:33 pm

0 Replies

1931 Views

Last post by gul_rahman_pak
Wed Jan 26, 2022 5:33 pm
question on the wiki example on magnetic coupling J

Last post by fabien_tran1 « Thu Jan 13, 2022 9:34 am
Replies: 5
by alpinnovianus » Thu Jan 06, 2022 5:11 pm

5 Replies

4586 Views

Last post by fabien_tran1
Thu Jan 13, 2022 9:34 am

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