Using VASP

Moderators: Global Moderator, Moderator

New Topic

5595 topics

Page 148 of 280
- Jump to page:
Previous
1
…
146
147
148
149
150
…
280
Next

Topics

Replies

Views

Last post

How to calculate the parity of a particular band?

Last post by sandeep.kumar « Wed Feb 21, 2018 7:32 am
Replies: 2
by sandeep.kumar » Fri Feb 02, 2018 5:22 am

2 Replies

4630 Views

Last post by sandeep.kumar
Wed Feb 21, 2018 7:32 am
line missing in fock.F?

Last post by wxiaom86 « Mon Feb 19, 2018 3:37 pm
Replies: 1
by wxiaom86 » Mon Feb 19, 2018 5:46 am

1 Replies

2599 Views

Last post by wxiaom86
Mon Feb 19, 2018 3:37 pm
Special hydrogen pseudopotential for passivation

Last post by admin « Fri Feb 02, 2018 11:00 am
Replies: 1
by bxm » Thu Feb 01, 2018 11:32 pm

1 Replies

3071 Views

Last post by admin
Fri Feb 02, 2018 11:00 am
Hybrid functionals with ISMEAR=-2

Last post by IBRAHIM « Wed Jan 24, 2018 9:55 am
Replies: 5
by IBRAHIM » Sun Dec 24, 2017 7:50 pm

5 Replies

7091 Views

Last post by IBRAHIM
Wed Jan 24, 2018 9:55 am
band symmetries

Last post by admin « Fri Jan 19, 2018 1:00 pm
Replies: 1
by maxmarkov » Sat Jan 13, 2018 7:55 pm

1 Replies

2808 Views

Last post by admin
Fri Jan 19, 2018 1:00 pm
Effective mass

Last post by ashima29 « Fri Dec 22, 2017 10:12 am
Replies: 2
by ashima29 » Thu Nov 02, 2017 8:05 am

2 Replies

6957 Views

Last post by ashima29
Fri Dec 22, 2017 10:12 am
Frequency Dependent Dielectric Tensor

Last post by admin « Thu Dec 14, 2017 2:50 pm
Replies: 1
by dscullion12 » Wed Dec 13, 2017 7:14 pm

1 Replies

3327 Views

Last post by admin
Thu Dec 14, 2017 2:50 pm
higher energy orbitals in the DOSCAR?

Last post by call_me_Al « Tue Nov 28, 2017 6:30 pm
Replies: 1
by call_me_Al » Mon Jul 24, 2017 8:33 pm

1 Replies

3165 Views

Last post by call_me_Al
Tue Nov 28, 2017 6:30 pm
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

4780 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

3350 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

6771 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

4142 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

4274 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

3275 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

3023 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

5477 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

5440 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

5076 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

2801 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

2750 Views

Last post by admin
Wed Jun 21, 2017 7:57 am

New Topic

5595 topics

Page 148 of 280
- Jump to page:
Previous
1
…
146
147
148
149
150
…
280
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