Using VASP

Moderators: Global Moderator, Moderator

New Topic

5395 topics

Page 140 of 270
- Jump to page:
Previous
1
…
138
139
140
141
142
…
270
Next

Topics

Replies

Views

Last post

ab-initio MD to simulate SW defect in 2D system

Last post by psriv « Mon Oct 31, 2016 1:58 am
Replies: 4
by psriv » Tue Oct 25, 2016 9:09 am

4 Replies

2430 Views

Last post by psriv
Mon Oct 31, 2016 1:58 am
magnetic moment for LiMn1.5Ni0.5O4

Last post by cpp6f « Wed Oct 26, 2016 8:51 pm
Replies: 1
by mhankel » Tue Oct 04, 2016 1:21 am

1 Replies

3039 Views

Last post by cpp6f
Wed Oct 26, 2016 8:51 pm
definition of total local potential

Last post by cpp6f « Wed Oct 26, 2016 8:41 pm
Replies: 1
by 5-903 » Wed Oct 05, 2016 5:33 pm

1 Replies

3225 Views

Last post by cpp6f
Wed Oct 26, 2016 8:41 pm
HSE+ISPIN=2 calculations in cu2o

Last post by leisy « Tue Oct 11, 2016 9:29 am
Replies: 4
by leisy » Tue Sep 20, 2016 5:20 am

4 Replies

3481 Views

Last post by leisy
Tue Oct 11, 2016 9:29 am
Perform Wannier Projection with Parallelization

Last post by admin « Tue Sep 13, 2016 3:39 pm
Replies: 2
by davalenciah » Sat Aug 13, 2016 8:05 pm

2 Replies

2794 Views

Last post by admin
Tue Sep 13, 2016 3:39 pm
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

6303 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

3208 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

1613 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

4885 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

2415 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

2872 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

4041 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

1794 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

1595 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

1998 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

2634 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

1838 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

3118 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

1717 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

5144 Views

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

New Topic

5395 topics

Page 140 of 270
- Jump to page:
Previous
1
…
138
139
140
141
142
…
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