From Users for Users

Moderators: Global Moderator, Moderator

New Topic

54 topics

Topics

Replies

Views

Last post

Final spin state in a spin-polarized SCF calculations

Last post by pascal_boulet1 « Wed May 24, 2023 12:42 pm
Replies: 2
by pascal_boulet1 » Tue Apr 18, 2023 3:53 pm

2 Replies

461 Views

Last post by pascal_boulet1
Wed May 24, 2023 12:42 pm
Density of states (DOS) Nickel

Last post by msaad22@uic.edu « Mon May 22, 2023 6:22 am
Replies: 2
by msaad22@uic.edu » Wed Apr 05, 2023 7:07 am

2 Replies

351 Views

Last post by msaad22@uic.edu
Mon May 22, 2023 6:22 am
How to download POTCAR_File

Last post by andreas.singraber « Fri May 19, 2023 12:28 pm
Replies: 6
by Sherif_Yehia1 » Mon Apr 03, 2023 10:54 pm

6 Replies

598 Views

Last post by andreas.singraber
Fri May 19, 2023 12:28 pm
Modified Ta PAW potential to calculate accurate EFGs

Last post by knlausch « Mon May 15, 2023 7:02 pm
Replies: 4
by knlausch » Tue May 09, 2023 11:23 am

4 Replies

315 Views

Last post by knlausch
Mon May 15, 2023 7:02 pm
simulating states under light irradiation

Last post by merzuk.kaltak « Mon May 08, 2023 1:28 pm
Replies: 1
by awang95 » Tue Apr 04, 2023 1:00 am

1 Replies

172 Views

Last post by merzuk.kaltak
Mon May 08, 2023 1:28 pm
Pseudopotentials Use for to get specific charge of atom

Last post by merzuk.kaltak « Mon May 08, 2023 7:57 am
Replies: 1
by SKM » Sat May 06, 2023 11:29 am

1 Replies

101 Views

Last post by merzuk.kaltak
Mon May 08, 2023 7:57 am
How to view vibrational modes?

Last post by itezsevin « Wed Apr 26, 2023 3:31 pm
Replies: 9
by vasplover » Thu May 29, 2008 12:32 am

9 Replies

5752 Views

Last post by itezsevin
Wed Apr 26, 2023 3:31 pm
can we restart one-shot GW calculation

Last post by asif_ali28 « Tue Apr 11, 2023 4:40 pm
Replies: 5
by asif_ali28 » Sun Apr 02, 2023 4:01 pm

5 Replies

418 Views

Last post by asif_ali28
Tue Apr 11, 2023 4:40 pm
Wrong density of states

Last post by musanna_galib « Mon Apr 03, 2023 1:26 am
Replies: 2
by musanna_galib » Wed Mar 22, 2023 5:30 am

2 Replies

428 Views

Last post by musanna_galib
Mon Apr 03, 2023 1:26 am
Entropic contributions to entropy

Last post by paulfons « Thu Mar 30, 2023 8:21 am

by paulfons » Thu Mar 30, 2023 8:21 am

0 Replies

316 Views

Last post by paulfons
Thu Mar 30, 2023 8:21 am
Removing POTCAR

Last post by pedro_melo « Thu Mar 09, 2023 10:00 am
Replies: 1
by hanwen_jin » Thu Mar 09, 2023 1:20 am

1 Replies

482 Views

Last post by pedro_melo
Thu Mar 09, 2023 10:00 am
Embedding Calculations

Last post by martin.schlipf « Tue Feb 07, 2023 3:01 pm
Replies: 4
by elena_kolodzeiski » Wed Jan 25, 2023 1:14 pm

4 Replies

11842 Views

Last post by martin.schlipf
Tue Feb 07, 2023 3:01 pm
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

6881 Views

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

4951 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

5968 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

5693 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

5160 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

5676 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

8482 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

5773 Views

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

New Topic

54 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