From Users for Users

Moderators: Global Moderator, Moderator

New Topic

43 topics

Topics

Replies

Views

Last post

Vibrational Frequency Calculation: Imaginary Frequencies from Optimized Minimum structures (H2O)

Last post by fabien_tran1 « Tue Jan 31, 2023 3:03 pm
Replies: 7
by manoj_wijesingha » Mon Jan 30, 2023 7:06 pm

7 Replies

115 Views

Last post by fabien_tran1
Tue Jan 31, 2023 3:03 pm
Embedding Calculations

Last post by martin.schlipf « Thu Jan 26, 2023 8:33 am
Replies: 2
by elena_kolodzeiski » Wed Jan 25, 2023 1:14 pm

2 Replies

164 Views

Last post by martin.schlipf
Thu Jan 26, 2023 8:33 am
Error in piloting DOS

Last post by Sherif_Yehia1 « Mon Jan 23, 2023 3:08 pm
Replies: 2
by Sherif_Yehia1 » Sun Jan 15, 2023 9:06 am

2 Replies

328 Views

Last post by Sherif_Yehia1
Mon Jan 23, 2023 3:08 pm
Problem calculating SLA doped with Eu

Last post by Kousei « Thu Dec 08, 2022 6:05 am
Replies: 1
by Kousei » Mon Oct 31, 2022 6:40 am

1 Replies

1745 Views

Last post by Kousei
Thu Dec 08, 2022 6:05 am
Non-collinear gamma only calculation

Last post by jonathan_lahnsteiner2 « Mon Nov 07, 2022 3:28 pm
Replies: 1
by ralf_tonner1 » Thu Nov 03, 2022 5:54 pm

1 Replies

1423 Views

Last post by jonathan_lahnsteiner2
Mon Nov 07, 2022 3:28 pm
charge sloshing error

Last post by jonathan_lahnsteiner2 « Thu Nov 03, 2022 11:40 am
Replies: 1
by kazeej » Wed Nov 02, 2022 5:18 pm

1 Replies

866 Views

Last post by jonathan_lahnsteiner2
Thu Nov 03, 2022 11:40 am
Questions regarding H2 adsorption onto nanolayer

Last post by alex « Wed Nov 02, 2022 10:00 am
Replies: 3
by ryan_brady » Wed Nov 02, 2022 1:34 am

3 Replies

1086 Views

Last post by alex
Wed Nov 02, 2022 10:00 am
Binding energies in VASP

Last post by madhu_menon2 « Mon Oct 03, 2022 2:24 pm
Replies: 3
by madhu_menon2 » Wed Mar 16, 2022 9:24 pm

3 Replies

3769 Views

Last post by madhu_menon2
Mon Oct 03, 2022 2:24 pm
Optimization after application of Strain (Uniaxial or biaxial)

Last post by SKM « Sat Oct 01, 2022 9:21 am
Replies: 1
by rishikanta_m » Tue Sep 13, 2022 4:23 am

1 Replies

1573 Views

Last post by SKM
Sat Oct 01, 2022 9:21 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

1662 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

2314 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

2915 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

1909 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

2589 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

3113 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

2687 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

3370 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

6818 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

3357 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

2347 Views

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

New Topic

43 topics

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum