Using VASP

Moderators: Global Moderator, Moderator

New Topic

5418 topics

Page 178 of 271
- Jump to page:
Previous
1
…
176
177
178
179
180
…
271
Next

Topics

Replies

Views

Last post

Orbitals in WAVECAR

Last post by tlchan « Wed May 16, 2012 3:45 am
Replies: 1
by ava » Sun Apr 29, 2012 4:45 pm

1 Replies

1063 Views

Last post by tlchan
Wed May 16, 2012 3:45 am
H passivation distance

Last post by tlchan « Wed May 16, 2012 3:42 am
Replies: 1
by apple » Fri Apr 27, 2012 5:10 pm

1 Replies

1375 Views

Last post by tlchan
Wed May 16, 2012 3:42 am
atomic stress tensor

Last post by maartendft « Tue May 15, 2012 9:00 pm
Replies: 3
by luke419 » Fri Apr 06, 2012 5:41 am

3 Replies

2598 Views

Last post by maartendft
Tue May 15, 2012 9:00 pm
NEB to calculate transition states

Last post by jber « Sat May 12, 2012 7:12 pm
Replies: 4
by gaofeng » Wed Mar 21, 2012 8:43 pm

4 Replies

3014 Views

Last post by jber
Sat May 12, 2012 7:12 pm
software tools to generate multiple input files

Last post by jber « Sat May 12, 2012 7:02 pm
Replies: 2
by Jaroslav Teteruk » Tue Apr 03, 2012 12:37 pm

2 Replies

2907 Views

Last post by jber
Sat May 12, 2012 7:02 pm
VASP cannot solve single atom: Zn, Be, Ti

Last post by jber « Sat May 12, 2012 6:57 pm
Replies: 15
by rpf » Thu Apr 12, 2012 12:43 pm
1

2
15 Replies

7160 Views

Last post by jber
Sat May 12, 2012 6:57 pm
Lattice constants, a and c/a

Last post by jber « Sat May 12, 2012 6:48 pm
Replies: 1
by lik8 » Fri May 11, 2012 4:46 pm

1 Replies

1012 Views

Last post by jber
Sat May 12, 2012 6:48 pm
Free Energy Calculation from Advanced MD Techniques

Last post by admin « Thu May 10, 2012 10:31 am
Replies: 3
by vinchy » Tue May 08, 2012 8:28 pm

3 Replies

2571 Views

Last post by admin
Thu May 10, 2012 10:31 am
problem with energy convergence

Last post by Leny « Tue May 08, 2012 11:42 pm
Replies: 8
by Leny » Sat Apr 21, 2012 2:27 am

8 Replies

2065 Views

Last post by Leny
Tue May 08, 2012 11:42 pm
Cl2 binding energy

Last post by rpf « Sun May 06, 2012 3:59 pm
Replies: 5
by cichia » Mon Nov 26, 2007 8:53 pm

5 Replies

3588 Views

Last post by rpf
Sun May 06, 2012 3:59 pm
Reason of energy fluctuation ?!

Last post by alex « Thu May 03, 2012 3:19 pm
Replies: 1
by Leny » Thu May 03, 2012 1:53 pm

1 Replies

1220 Views

Last post by alex
Thu May 03, 2012 3:19 pm
Calculation of hopping integrals?

Last post by maartendft « Thu May 03, 2012 6:41 am
Replies: 2
by maartendft » Thu Apr 12, 2012 2:13 am

2 Replies

2125 Views

Last post by maartendft
Thu May 03, 2012 6:41 am
OSZICAR energy details (not MD)

Last post by kambiz « Tue May 01, 2012 3:22 am
Replies: 1
by protonic » Mon Apr 30, 2012 3:04 pm

1 Replies

1410 Views

Last post by kambiz
Tue May 01, 2012 3:22 am
about external pressure

Last post by guo,huaihong « Sat Apr 28, 2012 4:00 am
Replies: 3
by wjfriend » Thu Feb 16, 2012 10:23 am

3 Replies

4451 Views

Last post by guo,huaihong
Sat Apr 28, 2012 4:00 am
unit of velocity in CONTCAR file in direct coordinate

Last post by admin « Thu Apr 26, 2012 10:58 am
Replies: 1
by halinh » Wed Apr 25, 2012 11:53 am

1 Replies

1205 Views

Last post by admin
Thu Apr 26, 2012 10:58 am
How can I check my KPOINTS

Last post by Leny « Tue Apr 24, 2012 4:45 pm
Replies: 2
by Leny » Sat Apr 21, 2012 3:02 am

2 Replies

2879 Views

Last post by Leny
Tue Apr 24, 2012 4:45 pm
OUTCAR in NEB

Last post by admin « Tue Apr 24, 2012 2:19 pm
Replies: 3
by Leny » Sun Mar 25, 2012 6:58 pm

3 Replies

1557 Views

Last post by admin
Tue Apr 24, 2012 2:19 pm
insufficient virtual memory in the preparatory DFT of G0W0 calculation

Last post by admin « Tue Apr 24, 2012 2:18 pm
Replies: 1
by njuxyh » Tue Apr 10, 2012 7:45 am

1 Replies

2133 Views

Last post by admin
Tue Apr 24, 2012 2:18 pm
Optimisation

Last post by admin « Tue Apr 24, 2012 2:17 pm
Replies: 1
by kugan75 » Fri Apr 13, 2012 1:19 pm

1 Replies

2086 Views

Last post by admin
Tue Apr 24, 2012 2:17 pm
Different Valence in Hydrogen

Last post by apple « Mon Apr 23, 2012 6:31 pm
Replies: 3
by b_lack » Tue Apr 17, 2012 11:00 am

3 Replies

2027 Views

Last post by apple
Mon Apr 23, 2012 6:31 pm

New Topic

5418 topics

Page 178 of 271
- Jump to page:
Previous
1
…
176
177
178
179
180
…
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