Using VASP

Moderators: Global Moderator, Moderator

New Topic

5410 topics

Page 212 of 271
- Jump to page:
Previous
1
…
210
211
212
213
214
…
271
Next

Topics

Replies

Views

Last post

Empty DOSCAR & EIGENVAL files for GW0 Calculations?

Last post by Mahlaga « Tue Feb 23, 2010 10:15 am
Replies: 3
by Mahlaga » Mon Feb 22, 2010 1:08 pm

3 Replies

2625 Views

Last post by Mahlaga
Tue Feb 23, 2010 10:15 am
convergence of total energy with respect to cutoff and no of kpoints

Last post by dnumb « Thu Feb 18, 2010 3:56 pm
Replies: 7
by Borninger » Mon Nov 13, 2006 10:03 am

7 Replies

5027 Views

Last post by dnumb
Thu Feb 18, 2010 3:56 pm
How do I calculate accurate DOS?

Last post by boris « Wed Feb 17, 2010 7:14 am
Replies: 4
by sch28181 » Fri Feb 12, 2010 6:39 am

4 Replies

3105 Views

Last post by boris
Wed Feb 17, 2010 7:14 am
question on PDOS analysis

Last post by physicalattraction « Tue Feb 16, 2010 3:41 pm
Replies: 1
by luke419 » Mon Feb 15, 2010 3:29 am

1 Replies

4973 Views

Last post by physicalattraction
Tue Feb 16, 2010 3:41 pm
Determining the Single Particle Energy States for Poiont Defects

Last post by aron « Sun Feb 14, 2010 4:34 pm
Replies: 1
by tommy91779 » Wed Feb 10, 2010 8:42 pm

1 Replies

1542 Views

Last post by aron
Sun Feb 14, 2010 4:34 pm
question on berry phase calculation

Last post by Shahla Chowdhury « Thu Feb 11, 2010 10:35 pm
Replies: 1
by yingma » Mon May 11, 2009 2:21 am

1 Replies

1639 Views

Last post by Shahla Chowdhury
Thu Feb 11, 2010 10:35 pm
U in POTPAR

Last post by boris « Thu Feb 11, 2010 8:10 am
Replies: 1
by rudra-b » Wed Feb 10, 2010 4:27 pm

1 Replies

1222 Views

Last post by boris
Thu Feb 11, 2010 8:10 am
Is there a way to 'lock' molecules as a group during relaxation/dynamics?

Last post by peterklaver « Wed Feb 10, 2010 8:18 pm
Replies: 3
by peterklaver » Fri Jan 29, 2010 11:24 am

3 Replies

1867 Views

Last post by peterklaver
Wed Feb 10, 2010 8:18 pm
HSE and Ultrasoft

Last post by miaoms « Wed Feb 10, 2010 5:43 pm
Replies: 2
by miaoms » Wed Feb 10, 2010 12:18 am

2 Replies

1744 Views

Last post by miaoms
Wed Feb 10, 2010 5:43 pm
Units of LDAUU

Last post by boris « Wed Feb 10, 2010 9:26 am
Replies: 3
by kpkuhl » Mon Feb 08, 2010 10:43 pm

3 Replies

2068 Views

Last post by boris
Wed Feb 10, 2010 9:26 am
band-structure calculation using GWA

Last post by giacomo giorgi « Wed Feb 10, 2010 2:50 am
Replies: 3
by motonaka » Thu May 28, 2009 6:20 am

3 Replies

4404 Views

Last post by giacomo giorgi
Wed Feb 10, 2010 2:50 am
CO on Cu using DFT+U

Last post by kpkuhl « Mon Feb 08, 2010 10:41 pm
Replies: 4
by kpkuhl » Wed Feb 03, 2010 8:04 pm

4 Replies

3253 Views

Last post by kpkuhl
Mon Feb 08, 2010 10:41 pm
Phonon modes calculation at Gamma point

Last post by ynwu « Mon Feb 08, 2010 10:35 pm
Replies: 3
by ynwu » Fri Jan 29, 2010 2:59 pm

3 Replies

2341 Views

Last post by ynwu
Mon Feb 08, 2010 10:35 pm
zero point energy

Last post by forsdan « Mon Feb 08, 2010 7:30 pm
Replies: 4
by minyork » Wed Oct 24, 2007 4:31 pm

4 Replies

4062 Views

Last post by forsdan
Mon Feb 08, 2010 7:30 pm
distance between images in NEB?

Last post by forsdan « Mon Feb 08, 2010 7:01 pm
Replies: 1
by d-farrell2 » Mon Feb 08, 2010 4:03 pm

1 Replies

1929 Views

Last post by forsdan
Mon Feb 08, 2010 7:01 pm
Is POTCAR(PAW) included the relativistic effects?

Last post by panda « Fri Feb 05, 2010 7:14 pm
Replies: 8
by pga » Tue Feb 28, 2006 4:54 pm

8 Replies

10306 Views

Last post by panda
Fri Feb 05, 2010 7:14 pm
calculate the basic parameter of Si molecule

Last post by panda « Fri Feb 05, 2010 7:10 pm
Replies: 2
by sanjaysahare20 » Wed Feb 03, 2010 11:11 am

2 Replies

1428 Views

Last post by panda
Fri Feb 05, 2010 7:10 pm
How to compute the elastic moduli?

Last post by admin « Fri Feb 05, 2010 3:28 pm
Replies: 1
by VASP001 » Mon Jan 11, 2010 1:38 pm

1 Replies

1676 Views

Last post by admin
Fri Feb 05, 2010 3:28 pm
spin contamination in unrestricted HF

Last post by admin « Fri Feb 05, 2010 3:25 pm
Replies: 1
by nsai » Tue Jan 12, 2010 11:57 pm

1 Replies

2575 Views

Last post by admin
Fri Feb 05, 2010 3:25 pm
slab convergence

Last post by admin « Fri Feb 05, 2010 3:12 pm
Replies: 2
by giacomo giorgi » Thu Jan 14, 2010 3:57 am

2 Replies

3172 Views

Last post by admin
Fri Feb 05, 2010 3:12 pm

New Topic

5410 topics

Page 212 of 271
- Jump to page:
Previous
1
…
210
211
212
213
214
…
271
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