Using VASP

Moderators: Global Moderator, Moderator

New Topic

5419 topics

Page 154 of 271
- Jump to page:
Previous
1
…
152
153
154
155
156
…
271
Next

Topics

Replies

Views

Last post

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

1796 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

13270 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

1824 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

1126 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

1196 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

1102 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

1489 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

1682 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

1162 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

28034 Views

Last post by szpunarb
Thu Apr 10, 2014 8:28 pm
PSMAXN error with larger ENMAX?

Last post by nsolomat « Thu Apr 03, 2014 10:57 pm
Replies: 2
by nsolomat » Thu Mar 06, 2014 12:28 am

2 Replies

2466 Views

Last post by nsolomat
Thu Apr 03, 2014 10:57 pm
cohesive energy of Silicon

Last post by Zary « Mon Mar 31, 2014 12:16 pm
Replies: 5
by farzaneh » Tue Sep 07, 2010 7:11 am

5 Replies

7422 Views

Last post by Zary
Mon Mar 31, 2014 12:16 pm
Set Electronic Temperature

Last post by paulfons « Thu Mar 20, 2014 9:10 am
Replies: 2
by robsimps » Fri Feb 14, 2014 9:27 pm

2 Replies

2635 Views

Last post by paulfons
Thu Mar 20, 2014 9:10 am
vdW-dF Change parameters?

Last post by kelum « Tue Mar 11, 2014 1:56 pm
Replies: 1
by novoselov » Sat Mar 08, 2014 10:57 pm

1 Replies

1251 Views

Last post by kelum
Tue Mar 11, 2014 1:56 pm
Very strong oscillation during convergence

Last post by tilak « Sun Mar 09, 2014 1:34 pm
Replies: 1
by tilak » Fri Feb 21, 2014 8:12 am

1 Replies

1496 Views

Last post by tilak
Sun Mar 09, 2014 1:34 pm
different nn-table in VASP & WIEN

Last post by admin « Thu Feb 27, 2014 11:41 am
Replies: 3
by tilak » Tue Feb 25, 2014 9:08 am

3 Replies

1693 Views

Last post by admin
Thu Feb 27, 2014 11:41 am
how to separate "d eps" and "ncg" column?

Last post by admin « Fri Feb 21, 2014 11:20 am
Replies: 1
by tilak » Thu Feb 20, 2014 8:13 pm

1 Replies

1279 Views

Last post by admin
Fri Feb 21, 2014 11:20 am
Work function calculations

Last post by cappri « Thu Feb 20, 2014 5:59 pm
Replies: 6
by cappri » Wed Feb 19, 2014 1:40 pm

6 Replies

6189 Views

Last post by cappri
Thu Feb 20, 2014 5:59 pm
Pt Surface

Last post by cappri « Wed Feb 19, 2014 1:36 pm
Replies: 2
by nkwem » Mon Feb 03, 2014 3:19 pm

2 Replies

1726 Views

Last post by cappri
Wed Feb 19, 2014 1:36 pm
Read WAVECAR file

Last post by KGov « Tue Feb 18, 2014 6:40 pm
Replies: 8
by oamnehc » Fri May 21, 2010 6:12 am

8 Replies

7702 Views

Last post by KGov
Tue Feb 18, 2014 6:40 pm

New Topic

5419 topics

Page 154 of 271
- Jump to page:
Previous
1
…
152
153
154
155
156
…
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