Using VASP

Moderators: Global Moderator, Moderator

New Topic

5825 topics

Page 191 of 292
- Jump to page:
Previous
1
…
189
190
191
192
193
…
292
Next

Topics

Replies

Views

Last post

PBE POTCAR for Y (yttrium)

Last post by tholme « Mon Dec 24, 2012 6:23 pm
Replies: 2
by tholme » Fri Nov 23, 2012 11:59 am

2 Replies

3215 Views

Last post by tholme
Mon Dec 24, 2012 6:23 pm
How to visualize the band decomposed density for beta channels

Last post by olson139 « Thu Dec 20, 2012 2:23 am
Replies: 2
by olson139 » Tue Dec 04, 2012 1:57 am

2 Replies

2886 Views

Last post by olson139
Thu Dec 20, 2012 2:23 am
Constant-pressure molecular dynamics in VASP.5.3.2

Last post by maartendft « Wed Dec 19, 2012 8:39 pm
Replies: 22
by pblanko » Thu Sep 20, 2012 5:02 am
1

2
22 Replies

29149 Views

Last post by maartendft
Wed Dec 19, 2012 8:39 pm
Bandstructure calculation

Last post by mperezjigato « Wed Dec 19, 2012 10:59 am
Replies: 1
by bhinnema » Mon Dec 05, 2005 4:40 pm

1 Replies

3834 Views

Last post by mperezjigato
Wed Dec 19, 2012 10:59 am
MD (Nose Thermostat) decaying constant of motion and another error regarding timestep

Last post by rabi « Wed Dec 19, 2012 7:22 am
Replies: 4
by dodo » Fri May 11, 2012 5:36 pm

4 Replies

7177 Views

Last post by rabi
Wed Dec 19, 2012 7:22 am
Surface Defects and Relative Energies....

Last post by alex « Mon Dec 17, 2012 4:31 pm
Replies: 5
by danith » Mon Dec 17, 2012 9:36 am

5 Replies

4283 Views

Last post by alex
Mon Dec 17, 2012 4:31 pm
ELFCAR and PARCHG

Last post by jovisstar « Thu Dec 13, 2012 6:37 am
Replies: 3
by kmkumar » Wed Sep 21, 2011 1:43 pm

3 Replies

4888 Views

Last post by jovisstar
Thu Dec 13, 2012 6:37 am
how to design a suppercell which contain a dislocation

Last post by magal « Wed Dec 12, 2012 4:13 pm
Replies: 6
by dyc_2008 » Tue Mar 29, 2011 1:37 pm

6 Replies

5203 Views

Last post by magal
Wed Dec 12, 2012 4:13 pm
Still Bandstructure of Si in GW

Last post by juhL « Tue Dec 11, 2012 3:38 pm
Replies: 3
by liu » Fri Dec 07, 2012 10:19 am

3 Replies

3508 Views

Last post by juhL
Tue Dec 11, 2012 3:38 pm
Direction of external electric field

Last post by hadoan « Tue Dec 04, 2012 11:44 pm
Replies: 2
by hadoan » Tue Dec 04, 2012 2:07 am

2 Replies

4033 Views

Last post by hadoan
Tue Dec 04, 2012 11:44 pm
Bad convergance of 111 surface of Ni FCC for 16 and 20 atoms

Last post by smanos « Tue Dec 04, 2012 1:41 pm
Replies: 2
by smanos » Thu Nov 29, 2012 7:23 pm

2 Replies

13497 Views

Last post by smanos
Tue Dec 04, 2012 1:41 pm
KPOINTS right o wrong?

Last post by admin « Mon Dec 03, 2012 1:22 pm
Replies: 1
by danith » Mon Dec 03, 2012 6:42 am

1 Replies

2556 Views

Last post by admin
Mon Dec 03, 2012 1:22 pm
convergence of ionic steps when calculating uniaxial stress

Last post by admin « Wed Nov 28, 2012 6:14 pm
Replies: 1
by dengbanvs » Thu Nov 08, 2012 1:35 am

1 Replies

3439 Views

Last post by admin
Wed Nov 28, 2012 6:14 pm
Finer DOS plot of HSE calculation

Last post by dhfphysics « Wed Nov 21, 2012 8:24 am
Replies: 2
by laalitha » Fri Nov 09, 2012 7:15 pm

2 Replies

3406 Views

Last post by dhfphysics
Wed Nov 21, 2012 8:24 am
As on GaSb...

Last post by giacomo giorgi « Tue Nov 20, 2012 3:48 am
Replies: 1
by danith » Sun Nov 18, 2012 3:17 pm

1 Replies

2635 Views

Last post by giacomo giorgi
Tue Nov 20, 2012 3:48 am
centrosymmetric structure and Spontaneous polarization

Last post by jlbettis « Fri Nov 16, 2012 11:57 pm
Replies: 1
by swarnakamal » Fri Nov 16, 2012 9:38 am

1 Replies

2962 Views

Last post by jlbettis
Fri Nov 16, 2012 11:57 pm
LO-TO splitting in vasp 5.2

Last post by yiwang62 « Thu Nov 15, 2012 10:13 pm
Replies: 3
by boris » Mon May 03, 2010 1:09 pm

3 Replies

5532 Views

Last post by yiwang62
Thu Nov 15, 2012 10:13 pm
111 surface of an fcc structure

Last post by maartendft « Wed Nov 14, 2012 3:05 am
Replies: 1
by smanos » Tue Nov 06, 2012 2:08 pm

1 Replies

2823 Views

Last post by maartendft
Wed Nov 14, 2012 3:05 am
energy zero point

Last post by tlchan « Tue Nov 13, 2012 11:03 am
Replies: 2
by w6765579 » Thu Oct 25, 2012 4:38 pm

2 Replies

2884 Views

Last post by tlchan
Tue Nov 13, 2012 11:03 am
Strange total energy results for a graphene with positive and negative charges.

Last post by tlchan « Tue Nov 13, 2012 11:00 am
Replies: 1
by yige » Mon Oct 29, 2012 9:24 am

1 Replies

3279 Views

Last post by tlchan
Tue Nov 13, 2012 11:00 am

New Topic

5825 topics

Page 191 of 292
- Jump to page:
Previous
1
…
189
190
191
192
193
…
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