Using VASP

Moderators: Global Moderator, Moderator

New Topic

5868 topics

Page 176 of 294
- Jump to page:
Previous
1
…
174
175
176
177
178
…
294
Next

Topics

Replies

Views

Last post

Spin components of spd site projections in PROCAR for collinear spin-polarized calculation

Last post by admin « Tue May 27, 2014 2:00 pm
Replies: 1
by tomic » Wed May 21, 2014 9:12 am

1 Replies

2865 Views

Last post by admin
Tue May 27, 2014 2:00 pm
How to calculate the phonon by using scph code

Last post by admin « Tue May 27, 2014 1:52 pm
Replies: 1
by jbliu » Wed May 21, 2014 11:46 am

1 Replies

2725 Views

Last post by admin
Tue May 27, 2014 1:52 pm
RPA calculation for GW

Last post by sponza « Mon May 26, 2014 8:52 pm
Replies: 1
by sponza » Sun May 18, 2014 12:52 pm

1 Replies

3502 Views

Last post by sponza
Mon May 26, 2014 8:52 pm
SOC and PROCAR

Last post by rpf « Fri May 23, 2014 10:54 am
Replies: 2
by giacomo giorgi » Sat Aug 17, 2013 9:03 am

2 Replies

3785 Views

Last post by rpf
Fri May 23, 2014 10:54 am
graphene structure

Last post by hosfa « Sat May 17, 2014 10:46 am
Replies: 2
by taharvasp » Wed May 07, 2014 7:27 pm

2 Replies

4090 Views

Last post by hosfa
Sat May 17, 2014 10:46 am
Forces of previously relaxed geometry, should they be zero?

Last post by hosfa « Sat May 17, 2014 9:53 am
Replies: 2
by hosfa » Mon May 05, 2014 9:17 am

2 Replies

2962 Views

Last post by hosfa
Sat May 17, 2014 9:53 am
Convert physical quantity defined on the real fine grid to the reciprocal grid (GRIDC%RC)

Last post by admin « Thu May 15, 2014 2:48 pm

by admin » Thu May 15, 2014 2:48 pm

0 Replies

2160 Views

Last post by admin
Thu May 15, 2014 2:48 pm
Elastic constants for Tetragonal, Orthorombic and Rhomdohedra structure

Last post by admin « Wed May 14, 2014 2:01 pm
Replies: 1
by BERNA AKGENC » Tue May 13, 2014 4:37 pm

1 Replies

3223 Views

Last post by admin
Wed May 14, 2014 2:01 pm
Potentials written in LOCPOT file

Last post by mm05b028 « Mon May 12, 2014 3:15 am
Replies: 2
by mm05b028 » Wed May 07, 2014 5:58 pm

2 Replies

3543 Views

Last post by mm05b028
Mon May 12, 2014 3:15 am
DFT-D2 C6 parameter for Iridium

Last post by bpburton « Fri May 09, 2014 7:59 pm
Replies: 1
by Agalya » Wed Apr 16, 2014 9:52 am

1 Replies

3550 Views

Last post by bpburton
Fri May 09, 2014 7:59 pm
PARCHG with spin-orbit coupling

Last post by admin « Fri May 09, 2014 1:34 pm
Replies: 1
by nwan » Wed May 07, 2014 7:45 am

1 Replies

3410 Views

Last post by admin
Fri May 09, 2014 1:34 pm
Imaginary frequency

Last post by freshwind « Tue May 06, 2014 12:31 pm
Replies: 18
by mwchang » Tue Apr 16, 2013 3:38 pm
1

2
18 Replies

25712 Views

Last post by freshwind
Tue May 06, 2014 12:31 pm
LEPSILON for graphene

Last post by naidu « Mon May 05, 2014 6:04 am
Replies: 3
by giacomo giorgi » Mon Apr 15, 2013 10:10 am

3 Replies

3711 Views

Last post by naidu
Mon May 05, 2014 6:04 am
Berry Phase--what is the meaning of "*c" for BP term, and should it be zero?

Last post by admin « Wed Apr 30, 2014 12:35 pm
Replies: 1
by kcousins » Mon Apr 28, 2014 6:04 pm

1 Replies

2772 Views

Last post by admin
Wed Apr 30, 2014 12:35 pm
Create trajectory from Optimization steps

Last post by lukasz.rzeznik « Wed Apr 30, 2014 6:57 am
Replies: 1
by an5989 » Tue Apr 29, 2014 6:08 pm

1 Replies

2832 Views

Last post by lukasz.rzeznik
Wed Apr 30, 2014 6:57 am
Reducen mass in frequency calculation

Last post by alex « Wed Apr 23, 2014 12:12 pm
Replies: 1
by revillalopez » Tue Apr 15, 2014 3:24 pm

1 Replies

2595 Views

Last post by alex
Wed Apr 23, 2014 12:12 pm
Regarding TS calculations

Last post by alex « Wed Apr 23, 2014 12:11 pm
Replies: 1
by konda.physics@gmail.com » Sat Apr 19, 2014 1:41 pm

1 Replies

3272 Views

Last post by alex
Wed Apr 23, 2014 12:11 pm
Elastic constant measurement by energy with spin polarization

Last post by admin « Wed Apr 23, 2014 9:09 am
Replies: 1
by terencelz » Mon Apr 14, 2014 2:45 am

1 Replies

3206 Views

Last post by admin
Wed Apr 23, 2014 9:09 am
Rearrange atom coordinates after calculation

Last post by terencelz « Thu Apr 17, 2014 3:35 pm
Replies: 1
by thierno » Tue Apr 15, 2014 2:19 am

1 Replies

2690 Views

Last post by terencelz
Thu Apr 17, 2014 3:35 pm
VASP with BoltzTraP

Last post by szpunarb « Thu Apr 10, 2014 8:28 pm
Replies: 23
by goja25 » Wed Jul 06, 2011 11:38 pm
1

2
23 Replies

40431 Views

Last post by szpunarb
Thu Apr 10, 2014 8:28 pm

New Topic

5868 topics

Page 176 of 294
- Jump to page:
Previous
1
…
174
175
176
177
178
…
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