Using VASP

Moderators: Global Moderator, Moderator

New Topic

5394 topics

Page 135 of 270
- Jump to page:
Previous
1
…
133
134
135
136
137
…
270
Next

Topics

Replies

Views

Last post

Binding Energy in Hybrid system

Last post by martin.schlipf « Wed Feb 12, 2020 7:39 am
Replies: 10
by SKM » Fri Jan 10, 2020 3:00 am

10 Replies

6226 Views

Last post by martin.schlipf
Wed Feb 12, 2020 7:39 am
B3LYP issue: AGGAC vs. ALDAC

Last post by martin.schlipf « Thu Feb 06, 2020 3:56 pm
Replies: 1
by kich2018 » Fri Jan 31, 2020 5:24 am

1 Replies

2283 Views

Last post by martin.schlipf
Thu Feb 06, 2020 3:56 pm
force and energy change after static calculation

Last post by SKM « Fri Jan 31, 2020 2:12 am
Replies: 6
by mariesto » Thu Apr 09, 2009 11:16 pm

6 Replies

5901 Views

Last post by SKM
Fri Jan 31, 2020 2:12 am
Query on hydrogen adsorption energy

Last post by surinder « Mon Jan 27, 2020 6:56 am
Replies: 2
by surinder » Tue Jan 21, 2020 1:41 pm

2 Replies

3491 Views

Last post by surinder
Mon Jan 27, 2020 6:56 am
(NiO example) need help with the J2 calculation

Last post by taishan@mit.edu « Sat Jan 25, 2020 10:22 pm
Replies: 4
by taishan@mit.edu » Sun Jan 19, 2020 8:55 pm

4 Replies

3735 Views

Last post by taishan@mit.edu
Sat Jan 25, 2020 10:22 pm
which is a more reasonable way to control unpaired electrons ?

Last post by martin.schlipf « Thu Jan 23, 2020 9:57 am
Replies: 2
by zongtan_fang1 » Sun Jan 05, 2020 3:44 am

2 Replies

3099 Views

Last post by martin.schlipf
Thu Jan 23, 2020 9:57 am
how to obtain all-electron charge distribution

Last post by martin.schlipf « Thu Jan 23, 2020 9:26 am
Replies: 1
by monty-wang » Thu Jan 02, 2020 1:38 pm

1 Replies

2272 Views

Last post by martin.schlipf
Thu Jan 23, 2020 9:26 am
Why did GGA+U give different energies with the same input?

Last post by rolando_saniz1 « Wed Jan 22, 2020 2:17 pm
Replies: 3
by zongtan_fang1 » Tue Dec 17, 2019 5:07 pm

3 Replies

3121 Views

Last post by rolando_saniz1
Wed Jan 22, 2020 2:17 pm
job restart

Last post by SKM « Thu Dec 19, 2019 3:20 am
Replies: 1
by MemDFT » Sat Jul 27, 2019 12:57 am

1 Replies

3152 Views

Last post by SKM
Thu Dec 19, 2019 3:20 am
Adaptively Compressed Exchange Operator

Last post by merzuk.kaltak « Mon Dec 16, 2019 2:56 pm
Replies: 1
by baranas » Wed Apr 10, 2019 11:03 am

1 Replies

2606 Views

Last post by merzuk.kaltak
Mon Dec 16, 2019 2:56 pm
Correct KPOINT mesh for Relaxation

Last post by guiyang_huang1 « Fri Nov 15, 2019 7:36 pm
Replies: 2
by cameronu » Mon Oct 14, 2019 12:24 pm

2 Replies

3169 Views

Last post by guiyang_huang1
Fri Nov 15, 2019 7:36 pm
About the problem of the convergence of HSE06

Last post by guiyang_huang1 « Fri Nov 15, 2019 7:31 pm
Replies: 3
by VASP001 » Fri Sep 06, 2019 2:18 pm

3 Replies

5423 Views

Last post by guiyang_huang1
Fri Nov 15, 2019 7:31 pm
Non Collinear magnetism

Last post by martin.schlipf « Fri Nov 15, 2019 8:47 am
Replies: 1
by madhu_menon1 » Tue Nov 12, 2019 3:42 pm

1 Replies

2440 Views

Last post by martin.schlipf
Fri Nov 15, 2019 8:47 am
Problem in relaxing cell dimensions when using hybrid functi

Last post by guiyang_huang1 « Wed Nov 13, 2019 3:11 pm
Replies: 1
by jcconesa » Thu Oct 24, 2019 1:10 pm

1 Replies

9429 Views

Last post by guiyang_huang1
Wed Nov 13, 2019 3:11 pm
Correct way to force oxidation state?

Last post by admin « Thu Nov 07, 2019 8:28 am
Replies: 2
by cameronu » Fri Aug 16, 2019 3:24 pm

2 Replies

3078 Views

Last post by admin
Thu Nov 07, 2019 8:28 am
density of states of bulk CaCl2

Last post by admin « Thu Nov 07, 2019 8:05 am
Replies: 1
by shkeshke » Thu Oct 24, 2019 4:41 am

1 Replies

2663 Views

Last post by admin
Thu Nov 07, 2019 8:05 am
ENCUT convergence check increasing rather than decreasing

Last post by alex « Tue Oct 22, 2019 10:10 am
Replies: 1
by rajeshraju » Mon Oct 14, 2019 3:12 pm

1 Replies

3433 Views

Last post by alex
Tue Oct 22, 2019 10:10 am
HSE06+U

Last post by argon214 « Mon Aug 12, 2019 7:08 am
Replies: 1
by berna_akgenc » Sat May 04, 2019 1:40 pm

1 Replies

2742 Views

Last post by argon214
Mon Aug 12, 2019 7:08 am
POSCAR single layer phosphorene

Last post by aohara « Thu Jul 11, 2019 6:46 pm
Replies: 1
by vasp_user000 » Mon Jul 08, 2019 5:54 pm

1 Replies

2753 Views

Last post by aohara
Thu Jul 11, 2019 6:46 pm
Convergence of defect supercells containing Yb 3+

Last post by dahvyd.wing « Tue May 21, 2019 12:13 pm
Replies: 1
by dsom » Wed Jan 16, 2019 10:48 pm

1 Replies

2985 Views

Last post by dahvyd.wing
Tue May 21, 2019 12:13 pm

New Topic

5394 topics

Page 135 of 270
- Jump to page:
Previous
1
…
133
134
135
136
137
…
270
Next

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