Using VASP

Moderators: Global Moderator, Moderator

New Topic

5827 topics

Page 160 of 292
- Jump to page:
Previous
1
…
158
159
160
161
162
…
292
Next

Topics

Replies

Views

Last post

Ce_3 Potential doesn't have the f-orbital charge

Last post by admin « Tue Nov 21, 2017 11:33 am
Replies: 1
by huan0001 » Mon Nov 20, 2017 3:37 pm

1 Replies

5286 Views

Last post by admin
Tue Nov 21, 2017 11:33 am
Different results with the same input of energy calculation

Last post by mhl980 « Mon Nov 13, 2017 2:56 pm
Replies: 1
by mhl980 » Mon Nov 13, 2017 8:49 am

1 Replies

3889 Views

Last post by mhl980
Mon Nov 13, 2017 2:56 pm
Transition State Search through CI-NEB

Last post by seemagautam « Tue Oct 31, 2017 5:25 am
Replies: 2
by seemagautam » Tue Oct 24, 2017 10:26 am

2 Replies

7326 Views

Last post by seemagautam
Tue Oct 31, 2017 5:25 am
How to access VASP on the web

Last post by timur « Mon Oct 23, 2017 9:50 pm

by timur » Mon Oct 23, 2017 9:50 pm

0 Replies

4383 Views

Last post by timur
Mon Oct 23, 2017 9:50 pm
d-band center calculation

Last post by alex « Wed Oct 18, 2017 4:03 pm
Replies: 1
by mdhossain » Tue Oct 17, 2017 12:56 pm

1 Replies

4632 Views

Last post by alex
Wed Oct 18, 2017 4:03 pm
Limit the energy range in BSE calculation

Last post by admin « Thu Sep 28, 2017 10:48 am
Replies: 1
by z9wang » Tue Sep 26, 2017 7:56 am

1 Replies

3675 Views

Last post by admin
Thu Sep 28, 2017 10:48 am
damped MD; temperature fluctuations

Last post by admin « Tue Sep 26, 2017 12:45 pm
Replies: 1
by anindya2710 » Sun Sep 24, 2017 8:19 pm

1 Replies

3298 Views

Last post by admin
Tue Sep 26, 2017 12:45 pm
Energy is not converged with HSE06 under polarized-system

Last post by alex « Tue Sep 26, 2017 11:34 am
Replies: 5
by VASP001 » Mon Sep 11, 2017 4:30 am

5 Replies

6016 Views

Last post by alex
Tue Sep 26, 2017 11:34 am
Hessian matrix IBRION=6

Last post by alex « Sat Sep 09, 2017 8:46 am
Replies: 3
by Tobias Kraemer » Wed Aug 23, 2017 12:22 pm

3 Replies

6065 Views

Last post by alex
Sat Sep 09, 2017 8:46 am
Self-Consistent Hybrid functional in VASP

Last post by debmalya760 « Fri Aug 11, 2017 7:05 pm
Replies: 4
by debmalya760 » Tue Jul 18, 2017 7:11 pm

4 Replies

5702 Views

Last post by debmalya760
Fri Aug 11, 2017 7:05 pm
USPP for fractional Hydrogen?

Last post by admin « Thu Jul 13, 2017 11:00 am
Replies: 1
by vlordi » Wed Jul 12, 2017 1:11 am

1 Replies

3073 Views

Last post by admin
Thu Jul 13, 2017 11:00 am
DFT calclulation of Carbonyl groups

Last post by admin « Wed Jun 21, 2017 7:57 am
Replies: 1
by skureshi » Tue Jun 20, 2017 9:06 pm

1 Replies

3053 Views

Last post by admin
Wed Jun 21, 2017 7:57 am
RWIGS: Angstrom or wigner-seitz radius (au A)

Last post by admin « Thu Jun 08, 2017 1:33 pm
Replies: 1
by raminans » Thu Apr 27, 2017 8:25 pm

1 Replies

5556 Views

Last post by admin
Thu Jun 08, 2017 1:33 pm
Carrier doper and NELECT

Last post by admin « Thu Jun 08, 2017 1:31 pm
Replies: 1
by konda.physics@gmail.com » Tue May 02, 2017 8:34 am

1 Replies

3214 Views

Last post by admin
Thu Jun 08, 2017 1:31 pm
Why Pt has electron occupations in p-orbitals

Last post by admin « Thu Jun 08, 2017 1:29 pm
Replies: 1
by sjtuzhanglei » Wed May 03, 2017 4:49 am

1 Replies

3425 Views

Last post by admin
Thu Jun 08, 2017 1:29 pm
Large imaginary modes for H2

Last post by admin « Thu Jun 08, 2017 1:26 pm
Replies: 4
by Tobias Kraemer » Wed Apr 05, 2017 11:16 am

4 Replies

7327 Views

Last post by admin
Thu Jun 08, 2017 1:26 pm
Program received signal SIGSEGV: Segmentation fault - invali

Last post by admin « Thu Jun 08, 2017 1:23 pm
Replies: 1
by VASP001 » Sun Jun 04, 2017 2:43 pm

1 Replies

5088 Views

Last post by admin
Thu Jun 08, 2017 1:23 pm
EELS calculation

Last post by amirs « Tue Jun 06, 2017 5:07 pm
Replies: 1
by ashima29 » Fri May 26, 2017 6:04 am

1 Replies

3805 Views

Last post by amirs
Tue Jun 06, 2017 5:07 pm
Why does Nd_3 has 11 valence electrons while Gd_3 has 9?

Last post by admin « Tue Jun 06, 2017 2:22 pm
Replies: 1
by byin » Fri Jun 02, 2017 2:24 pm

1 Replies

3368 Views

Last post by admin
Tue Jun 06, 2017 2:22 pm
Energy of free atom

Last post by tfrankcombe « Wed May 24, 2017 9:59 pm
Replies: 1
by satish2414 » Tue May 23, 2017 11:36 pm

1 Replies

4310 Views

Last post by tfrankcombe
Wed May 24, 2017 9:59 pm

New Topic

5827 topics

Page 160 of 292
- Jump to page:
Previous
1
…
158
159
160
161
162
…
292
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