Using VASP

Moderators: Global Moderator, Moderator

New Topic

5821 topics

Page 159 of 292
- Jump to page:
Previous
1
…
157
158
159
160
161
…
292
Next

Topics

Replies

Views

Last post

PARCHG file

Last post by IBRAHIM « Wed Apr 18, 2018 2:01 pm
Replies: 2
by IBRAHIM » Mon Mar 26, 2018 2:00 pm

2 Replies

3911 Views

Last post by IBRAHIM
Wed Apr 18, 2018 2:01 pm
The ionic coordinates in XDATCAR is wrapped or unwrapped?

Last post by suen « Fri Mar 30, 2018 10:38 am
Replies: 3
by suen » Fri Mar 23, 2018 1:15 pm

3 Replies

5621 Views

Last post by suen
Fri Mar 30, 2018 10:38 am
formation energy and cohesive energy

Last post by tfrankcombe « Thu Mar 29, 2018 5:34 am
Replies: 2
by IBRAHIM » Fri Feb 09, 2018 10:56 am

2 Replies

4577 Views

Last post by tfrankcombe
Thu Mar 29, 2018 5:34 am
NUPDOWN tag in vasp for heterostructures?

Last post by admin « Wed Mar 14, 2018 4:09 pm
Replies: 1
by ashima29 » Tue Jan 16, 2018 12:26 pm

1 Replies

3429 Views

Last post by admin
Wed Mar 14, 2018 4:09 pm
spin-orbit interaction

Last post by stesch « Fri Mar 09, 2018 5:55 pm
Replies: 2
by tak10 » Mon Jan 15, 2018 8:05 am

2 Replies

4732 Views

Last post by stesch
Fri Mar 09, 2018 5:55 pm
The Problem with running vtotav.f script

Last post by admin « Mon Mar 05, 2018 3:31 pm
Replies: 1
by suleechem » Thu Nov 23, 2017 7:09 am

1 Replies

4890 Views

Last post by admin
Mon Mar 05, 2018 3:31 pm
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

5142 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

2860 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

3424 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

8052 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

3238 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

7554 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

3730 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

3377 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

5230 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

3825 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

7251 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

4339 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

4588 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

3627 Views

Last post by admin
Thu Sep 28, 2017 10:48 am

New Topic

5821 topics

Page 159 of 292
- Jump to page:
Previous
1
…
157
158
159
160
161
…
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