Using VASP

Moderators: Global Moderator, Moderator

New Topic

5867 topics

Page 209 of 294
- Jump to page:
Previous
1
…
207
208
209
210
211
…
294
Next

Topics

Replies

Views

Last post

GW doubts

Last post by giacomo giorgi « Wed Oct 26, 2011 5:51 pm
Replies: 1
by giacomo giorgi » Tue Oct 11, 2011 7:03 am

1 Replies

3384 Views

Last post by giacomo giorgi
Wed Oct 26, 2011 5:51 pm
H binding energy

Last post by Dr Vitaly V. G. Chaban « Wed Oct 26, 2011 5:31 pm
Replies: 3
by apple » Tue Oct 25, 2011 2:51 am

3 Replies

3864 Views

Last post by Dr Vitaly V. G. Chaban
Wed Oct 26, 2011 5:31 pm
calculations of a charged molecule with spin

Last post by imcnab « Wed Oct 26, 2011 3:00 am
Replies: 2
by imcnab » Wed Oct 26, 2011 12:05 am

2 Replies

4606 Views

Last post by imcnab
Wed Oct 26, 2011 3:00 am
Meaning and ordering of f-orbitals in DOS

Last post by ehftz943315 « Wed Oct 26, 2011 1:54 am
Replies: 4
by ehftz943315 » Wed Oct 19, 2011 8:10 am

4 Replies

16807 Views

Last post by ehftz943315
Wed Oct 26, 2011 1:54 am
Relaxation with constrained bonds or anlges is possible?

Last post by imcnab « Wed Oct 26, 2011 12:40 am
Replies: 1
by kjt0314 » Fri Oct 21, 2011 5:14 am

1 Replies

2785 Views

Last post by imcnab
Wed Oct 26, 2011 12:40 am
Initial spin multiplicity

Last post by imcnab « Tue Oct 25, 2011 11:40 pm
Replies: 7
by aarondesk » Fri Dec 07, 2007 5:03 pm

7 Replies

13989 Views

Last post by imcnab
Tue Oct 25, 2011 11:40 pm
partial DOS

Last post by elenaaleksandrovna « Tue Oct 25, 2011 10:27 pm
Replies: 3
by elenaaleksandrovna » Mon Oct 17, 2011 10:13 pm

3 Replies

3559 Views

Last post by elenaaleksandrovna
Tue Oct 25, 2011 10:27 pm
How can I define the MEP from the NEB calculation?

Last post by cyc99 « Tue Oct 25, 2011 10:31 am
Replies: 2
by cyc99 » Tue Aug 23, 2011 5:56 am

2 Replies

3958 Views

Last post by cyc99
Tue Oct 25, 2011 10:31 am
Can I control each cell parameter during cell optimization?

Last post by Dr Vitaly V. G. Chaban « Tue Oct 25, 2011 4:47 am
Replies: 1
by cyc99 » Mon Oct 17, 2011 1:22 pm

1 Replies

2628 Views

Last post by Dr Vitaly V. G. Chaban
Tue Oct 25, 2011 4:47 am
ISMEAR

Last post by Dr Vitaly V. G. Chaban « Tue Oct 25, 2011 4:46 am
Replies: 2
by vasp_user » Thu Oct 13, 2011 8:34 am

2 Replies

3190 Views

Last post by Dr Vitaly V. G. Chaban
Tue Oct 25, 2011 4:46 am
DOS and Band structure plotting

Last post by agupta16 « Mon Oct 24, 2011 11:33 pm
Replies: 3
by agupta16 » Sat Oct 22, 2011 11:46 pm

3 Replies

7558 Views

Last post by agupta16
Mon Oct 24, 2011 11:33 pm
Problem with DOS calcuation by hybrid density functional

Last post by opvu « Sat Oct 22, 2011 12:38 pm
Replies: 1
by opvu » Fri Oct 21, 2011 12:17 pm

1 Replies

4131 Views

Last post by opvu
Sat Oct 22, 2011 12:38 pm
hcp Mg and Monkhorst Pack grids

Last post by tlchan « Sat Oct 22, 2011 7:31 am
Replies: 2
by vasp_user » Mon Oct 17, 2011 11:08 pm

2 Replies

6340 Views

Last post by tlchan
Sat Oct 22, 2011 7:31 am
PBE0 band structure: occupied bands are wrong

Last post by hatdau « Tue Oct 18, 2011 10:28 am
Replies: 1
by hatdau » Sun Sep 25, 2011 6:25 pm

1 Replies

3492 Views

Last post by hatdau
Tue Oct 18, 2011 10:28 am
Magnetism of dilute alloys

Last post by jlrch « Fri Oct 14, 2011 9:16 pm
Replies: 5
by corbin » Fri May 21, 2010 9:57 am

5 Replies

7092 Views

Last post by jlrch
Fri Oct 14, 2011 9:16 pm
How to simulate STACKING FAULT?

Last post by dyc_2008 « Thu Oct 13, 2011 5:22 am
Replies: 2
by dyc_2008 » Mon Oct 10, 2011 5:48 am

2 Replies

3206 Views

Last post by dyc_2008
Thu Oct 13, 2011 5:22 am
ISPIN=2 for Eu_2 pseudopotential

Last post by blazing « Wed Oct 12, 2011 12:09 pm
Replies: 3
by blazing » Mon Oct 10, 2011 7:58 pm

3 Replies

4347 Views

Last post by blazing
Wed Oct 12, 2011 12:09 pm
odd number of electrons

Last post by apple « Wed Oct 12, 2011 1:04 am
Replies: 2
by apple » Fri Oct 07, 2011 7:39 am

2 Replies

3902 Views

Last post by apple
Wed Oct 12, 2011 1:04 am
Potentials with improved f scattering properties

Last post by jber « Sat Oct 08, 2011 3:23 pm
Replies: 3
by jber » Thu Jul 07, 2011 5:16 pm

3 Replies

3577 Views

Last post by jber
Sat Oct 08, 2011 3:23 pm
XRD and NMR

Last post by jewar « Thu Oct 06, 2011 5:13 am
Replies: 3
by mff7d » Wed Sep 28, 2011 3:15 am

3 Replies

4867 Views

Last post by jewar
Thu Oct 06, 2011 5:13 am

New Topic

5867 topics

Page 209 of 294
- Jump to page:
Previous
1
…
207
208
209
210
211
…
294
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