Using VASP

Moderators: Global Moderator, Moderator

New Topic

5397 topics

Page 150 of 270
- Jump to page:
Previous
1
…
148
149
150
151
152
…
270
Next

Topics

Replies

Views

Last post

CdSe surface calculations

Last post by zzhlax « Thu Oct 30, 2014 12:48 pm
Replies: 1
by glab » Wed Oct 29, 2014 11:49 pm

1 Replies

1625 Views

Last post by zzhlax
Thu Oct 30, 2014 12:48 pm
Van der Waals matrix elements

Last post by anton « Wed Oct 29, 2014 1:05 pm
Replies: 1
by anton » Wed Sep 17, 2014 5:36 pm

1 Replies

1135 Views

Last post by anton
Wed Oct 29, 2014 1:05 pm
Finding Lattice vectors for POSCAR File

Last post by admin « Tue Oct 21, 2014 9:31 am
Replies: 1
by Iyyapparajan » Mon Oct 20, 2014 2:12 pm

1 Replies

1203 Views

Last post by admin
Tue Oct 21, 2014 9:31 am
INCAR file for vdW-DF and vdW-DF2 methods

Last post by aofphy « Thu Oct 16, 2014 6:07 pm
Replies: 1
by nykondalu » Thu Oct 16, 2014 8:38 am

1 Replies

3012 Views

Last post by aofphy
Thu Oct 16, 2014 6:07 pm
Nudged elastic band calculation..

Last post by lunatic « Thu Oct 16, 2014 4:40 pm
Replies: 1
by cyc99 » Thu Aug 28, 2014 9:07 am

1 Replies

1937 Views

Last post by lunatic
Thu Oct 16, 2014 4:40 pm
Direct co-ordinates for HCP lattice

Last post by lunatic « Thu Oct 16, 2014 4:21 pm
Replies: 1
by karthik112490 » Sun Oct 05, 2014 5:48 am

1 Replies

1286 Views

Last post by lunatic
Thu Oct 16, 2014 4:21 pm
calculation of DOS for antiferromagnetic Fe2O3

Last post by zzhlax « Sat Oct 11, 2014 1:20 pm
Replies: 4
by zzhlax » Fri Sep 05, 2014 3:14 am

4 Replies

4650 Views

Last post by zzhlax
Sat Oct 11, 2014 1:20 pm
determine the space grouup of optimised structure from contcar file

Last post by kalpna « Fri Oct 10, 2014 9:03 am
Replies: 4
by kalpna » Thu Jun 05, 2014 2:43 pm

4 Replies

2936 Views

Last post by kalpna
Fri Oct 10, 2014 9:03 am
Different values of SIGMA effect the calculated energy of Mg

Last post by admin « Wed Oct 08, 2014 10:31 am

by admin » Wed Oct 08, 2014 10:31 am

0 Replies

969 Views

Last post by admin
Wed Oct 08, 2014 10:31 am
DOSCAR and COOP visualization

Last post by terencelz « Thu Oct 02, 2014 5:45 am
Replies: 4
by an5989 » Fri Sep 19, 2014 11:05 pm

4 Replies

3543 Views

Last post by terencelz
Thu Oct 02, 2014 5:45 am
Difference in magnetization values

Last post by l.bellarosa « Wed Oct 01, 2014 10:51 am
Replies: 1
by l.bellarosa » Tue Sep 30, 2014 5:55 pm

1 Replies

1264 Views

Last post by l.bellarosa
Wed Oct 01, 2014 10:51 am
Valence band egde higher than Fermi level

Last post by qavo08 « Tue Sep 30, 2014 5:19 pm
Replies: 2
by qavo08 » Tue Sep 23, 2014 9:06 pm

2 Replies

1730 Views

Last post by qavo08
Tue Sep 30, 2014 5:19 pm
How to apply constraints to bond lengths?

Last post by qavo08 « Tue Sep 30, 2014 5:10 pm
Replies: 2
by andreagerson » Sat Sep 27, 2014 8:02 am

2 Replies

2266 Views

Last post by qavo08
Tue Sep 30, 2014 5:10 pm
Pressure convergence issue in NPT molecular dynamics

Last post by admin « Fri Sep 19, 2014 12:59 pm
Replies: 1
by fanghz » Thu Sep 18, 2014 10:06 pm

1 Replies

2357 Views

Last post by admin
Fri Sep 19, 2014 12:59 pm
Calculation of a simple unit cell: electronic step does not converge

Last post by kambiz « Fri Sep 19, 2014 8:20 am
Replies: 2
by sjtuzhanglei » Sat Aug 23, 2014 2:02 pm

2 Replies

2177 Views

Last post by kambiz
Fri Sep 19, 2014 8:20 am
changing the color of a specific molecule in vmd

Last post by kambiz « Fri Sep 19, 2014 8:12 am
Replies: 1
by elhmo » Wed Sep 03, 2014 9:24 am

1 Replies

2020 Views

Last post by kambiz
Fri Sep 19, 2014 8:12 am
ENCUT, How much can be increased?

Last post by kambiz « Fri Sep 19, 2014 8:04 am
Replies: 1
by hosfa » Tue Sep 02, 2014 5:13 pm

1 Replies

1296 Views

Last post by kambiz
Fri Sep 19, 2014 8:04 am
VASP refinement of inulin unit cell structure

Last post by andreagerson « Thu Sep 11, 2014 6:02 am
Replies: 2
by andreagerson » Mon Sep 08, 2014 3:56 am

2 Replies

1751 Views

Last post by andreagerson
Thu Sep 11, 2014 6:02 am
If orbital moments in OUTCAR written with respect to the SAXIS?

Last post by LucasR « Mon Aug 25, 2014 5:04 pm
Replies: 1
by opvu » Sat May 04, 2013 12:52 am

1 Replies

1474 Views

Last post by LucasR
Mon Aug 25, 2014 5:04 pm
calculate dielectric constant with spin-orbit

Last post by hatdau « Wed Aug 20, 2014 4:23 pm
Replies: 1
by hatdau » Tue Aug 19, 2014 7:02 pm

1 Replies

1421 Views

Last post by hatdau
Wed Aug 20, 2014 4:23 pm

New Topic

5397 topics

Page 150 of 270
- Jump to page:
Previous
1
…
148
149
150
151
152
…
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