Using VASP

Moderators: Global Moderator, Moderator

New Topic

5330 topics

Page 137 of 267
- Jump to page:
Previous
1
…
135
136
137
138
139
…
267
Next

Topics

Replies

Views

Last post

Gibbs Free Energy and VASP

Last post by admin « Fri Aug 19, 2016 12:13 pm
Replies: 1
by markmick » Tue Aug 09, 2016 5:54 pm

1 Replies

6110 Views

Last post by admin
Fri Aug 19, 2016 12:13 pm
ALGO = Exact not running for optical properties

Last post by M Dave « Fri Aug 19, 2016 9:41 am
Replies: 2
by M Dave » Fri Aug 12, 2016 7:53 am

2 Replies

3092 Views

Last post by M Dave
Fri Aug 19, 2016 9:41 am
the codes about force calculation

Last post by admin « Thu Aug 18, 2016 10:28 am
Replies: 1
by wji » Thu Aug 18, 2016 10:04 am

1 Replies

1571 Views

Last post by admin
Thu Aug 18, 2016 10:28 am
Stopping ionic relaxation

Last post by alex « Wed Aug 17, 2016 1:29 pm
Replies: 3
by dholec » Sat Aug 13, 2016 10:30 am

3 Replies

4759 Views

Last post by alex
Wed Aug 17, 2016 1:29 pm
internal pressure of the system during NVT run

Last post by tfrankcombe « Thu Aug 11, 2016 1:20 am
Replies: 1
by skureshi » Wed Aug 03, 2016 9:43 pm

1 Replies

2367 Views

Last post by tfrankcombe
Thu Aug 11, 2016 1:20 am
How to perform GW calculations in VASP?

Last post by sandeep.kumar « Mon Aug 08, 2016 5:47 am
Replies: 2
by sandeep.kumar » Tue Aug 02, 2016 4:33 pm

2 Replies

2775 Views

Last post by sandeep.kumar
Mon Aug 08, 2016 5:47 am
Visualization of Molecular Orbitals from VASP calculation

Last post by doris « Wed Jul 27, 2016 4:52 pm
Replies: 1
by debmalya760 » Sun Jul 24, 2016 9:07 am

1 Replies

3921 Views

Last post by doris
Wed Jul 27, 2016 4:52 pm
Can GW for system which appears to be metallic be accurate?

Last post by askhetan « Mon Jul 25, 2016 6:00 pm
Replies: 1
by askhetan » Wed Jun 29, 2016 12:00 pm

1 Replies

1742 Views

Last post by askhetan
Mon Jul 25, 2016 6:00 pm
IBRION 6 for single-layered materials

Last post by admin « Mon Jul 25, 2016 10:23 am
Replies: 1
by spicykamal » Fri Jul 22, 2016 11:07 pm

1 Replies

1542 Views

Last post by admin
Mon Jul 25, 2016 10:23 am
What happens if you skip the diagonalisation step in GW ?

Last post by askhetan « Fri Jul 15, 2016 1:15 pm
Replies: 2
by askhetan » Wed Jul 13, 2016 9:28 pm

2 Replies

1960 Views

Last post by askhetan
Fri Jul 15, 2016 1:15 pm
p4vasp

Last post by askhetan « Mon Jul 11, 2016 10:58 am
Replies: 2
by hongbiao » Wed Jun 22, 2016 6:47 pm

2 Replies

2570 Views

Last post by askhetan
Mon Jul 11, 2016 10:58 am
How to determine if a defect state is occupied or not

Last post by Neutrino « Sun Jul 03, 2016 11:00 am
Replies: 1
by sjtuzhanglei » Thu Jun 30, 2016 6:34 pm

1 Replies

1794 Views

Last post by Neutrino
Sun Jul 03, 2016 11:00 am
Question about ISYM

Last post by Neutrino « Wed Jun 29, 2016 2:14 am
Replies: 3
by hongbiao » Sun Jun 05, 2016 1:29 am

3 Replies

2970 Views

Last post by Neutrino
Wed Jun 29, 2016 2:14 am
FORCES and GRID in Supercells

Last post by admin « Tue Jun 28, 2016 1:38 pm
Replies: 1
by DukeSilver » Tue Jun 28, 2016 6:56 am

1 Replies

1647 Views

Last post by admin
Tue Jun 28, 2016 1:38 pm
DOS calculation

Last post by hongbiao « Sat Jun 25, 2016 8:09 pm
Replies: 3
by hongbiao » Mon Jun 20, 2016 6:32 pm

3 Replies

5056 Views

Last post by hongbiao
Sat Jun 25, 2016 8:09 pm
EDIFF

Last post by Neutrino « Thu Jun 23, 2016 5:21 am
Replies: 2
by mgarcia » Wed Jun 22, 2016 10:59 am

2 Replies

2076 Views

Last post by Neutrino
Thu Jun 23, 2016 5:21 am
VERY BAD NEWS of IBZKPT in vasp 5.3 with IBRION=6

Last post by jnokelai « Fri Jun 17, 2016 12:35 pm
Replies: 8
by terencelz » Mon Dec 01, 2014 12:35 am

8 Replies

17899 Views

Last post by jnokelai
Fri Jun 17, 2016 12:35 pm
Continuing Relax

Last post by admin « Tue Jun 14, 2016 10:50 am
Replies: 1
by aruth » Mon Jun 13, 2016 7:59 pm

1 Replies

4014 Views

Last post by admin
Tue Jun 14, 2016 10:50 am
K-point convergence

Last post by admin « Fri Jun 10, 2016 9:34 am
Replies: 1
by spicykamal » Thu Jun 09, 2016 11:49 pm

1 Replies

1574 Views

Last post by admin
Fri Jun 10, 2016 9:34 am
how to add charge in the system during the calculation

Last post by admin « Wed Jun 08, 2016 2:44 pm
Replies: 3
by xingbin » Tue Jun 07, 2016 2:08 pm

3 Replies

2583 Views

Last post by admin
Wed Jun 08, 2016 2:44 pm

New Topic

5330 topics

Page 137 of 267
- Jump to page:
Previous
1
…
135
136
137
138
139
…
267
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