Using VASP

Moderators: Global Moderator, Moderator

New Topic

5867 topics

Page 166 of 294
- Jump to page:
Previous
1
…
164
165
166
167
168
…
294
Next

Topics

Replies

Views

Last post

Symmetry, kpoints and memory

Last post by askhetan « Mon Apr 25, 2016 7:42 pm
Replies: 3
by askhetan » Sat Apr 23, 2016 12:47 pm

3 Replies

4848 Views

Last post by askhetan
Mon Apr 25, 2016 7:42 pm
nonlinear optical susceptibility

Last post by admin « Fri Apr 22, 2016 11:35 am
Replies: 1
by luke419 » Fri Apr 22, 2016 4:16 am

1 Replies

3788 Views

Last post by admin
Fri Apr 22, 2016 11:35 am
TD-DFT aborts

Last post by camille « Fri Apr 22, 2016 9:06 am
Replies: 3
by camille » Mon Apr 11, 2016 1:00 pm

3 Replies

5631 Views

Last post by camille
Fri Apr 22, 2016 9:06 am
frozen f electrons in Pr element

Last post by sjtuzhanglei « Wed Apr 20, 2016 3:40 pm
Replies: 2
by sjtuzhanglei » Tue Apr 19, 2016 10:38 pm

2 Replies

3751 Views

Last post by sjtuzhanglei
Wed Apr 20, 2016 3:40 pm
Atom resolved magnetocrystalline anisotropy energy?

Last post by admin « Wed Apr 20, 2016 3:40 pm
Replies: 1
by Biswnath » Fri Apr 15, 2016 9:55 am

1 Replies

3606 Views

Last post by admin
Wed Apr 20, 2016 3:40 pm
Bi2Se3 with vdW functionals: unreasonable relaxation results

Last post by jnokelai « Tue Apr 19, 2016 10:24 am
Replies: 1
by jnokelai » Mon Apr 18, 2016 12:41 pm

1 Replies

17135 Views

Last post by jnokelai
Tue Apr 19, 2016 10:24 am
Delta SCF DFT calculations

Last post by admin « Tue Apr 19, 2016 8:49 am
Replies: 1
by spoudyal » Tue Apr 19, 2016 1:26 am

1 Replies

6258 Views

Last post by admin
Tue Apr 19, 2016 8:49 am
Error on the first iteration of G0W0 calculation

Last post by Emmanuel « Mon Apr 18, 2016 5:58 pm
Replies: 4
by Emmanuel » Fri Apr 08, 2016 10:10 am

4 Replies

5537 Views

Last post by Emmanuel
Mon Apr 18, 2016 5:58 pm
HSE06 band gap

Last post by admin « Mon Apr 18, 2016 3:13 pm
Replies: 1
by jbliu » Sat Apr 16, 2016 3:35 pm

1 Replies

3203 Views

Last post by admin
Mon Apr 18, 2016 3:13 pm
Phase normalization in PROCAR file

Last post by tomic « Mon Apr 11, 2016 5:31 pm
Replies: 2
by tomic » Wed Mar 30, 2016 12:16 pm

2 Replies

4333 Views

Last post by tomic
Mon Apr 11, 2016 5:31 pm
Hard to converge using an already converged WAVECAR

Last post by zhangguangping « Mon Apr 11, 2016 3:55 pm
Replies: 2
by zhangguangping » Mon Apr 11, 2016 1:56 pm

2 Replies

3679 Views

Last post by zhangguangping
Mon Apr 11, 2016 3:55 pm
convergence problem with 3d 4d transition metal

Last post by admin « Mon Apr 11, 2016 3:34 pm
Replies: 3
by ljzhang123 » Mon Mar 28, 2016 5:05 am

3 Replies

3972 Views

Last post by admin
Mon Apr 11, 2016 3:34 pm
Confused results of bader charge analysis for MnO2

Last post by admin « Mon Apr 11, 2016 11:48 am
Replies: 1
by jbliu » Sat Apr 09, 2016 4:20 pm

1 Replies

4538 Views

Last post by admin
Mon Apr 11, 2016 11:48 am
Clarification on GW method in VASP

Last post by askhetan « Fri Apr 08, 2016 2:01 pm
Replies: 4
by askhetan » Wed Mar 30, 2016 6:35 pm

4 Replies

7265 Views

Last post by askhetan
Fri Apr 08, 2016 2:01 pm
DOS calculation - which ALGO

Last post by admin « Wed Apr 06, 2016 9:46 am
Replies: 1
by fiori » Thu Mar 31, 2016 12:41 pm

1 Replies

3629 Views

Last post by admin
Wed Apr 06, 2016 9:46 am
How to analyze the running time in one ionic step?

Last post by admin « Tue Apr 05, 2016 10:52 am
Replies: 2
by byin » Thu Feb 25, 2016 5:15 pm

2 Replies

4378 Views

Last post by admin
Tue Apr 05, 2016 10:52 am
Back ground charge

Last post by admin « Fri Apr 01, 2016 12:45 pm
Replies: 1
by szvasp » Tue Mar 15, 2016 1:57 pm

1 Replies

3894 Views

Last post by admin
Fri Apr 01, 2016 12:45 pm
How to calculate the ion adsorption energy on a surface?

Last post by admin « Fri Mar 18, 2016 1:15 pm
Replies: 1
by sunsr » Fri Mar 18, 2016 7:34 am

1 Replies

4356 Views

Last post by admin
Fri Mar 18, 2016 1:15 pm
Electronic SCF fails for oxide tio2

Last post by satish2414 « Tue Mar 15, 2016 8:25 pm
Replies: 4
by satish2414 » Wed Nov 18, 2015 6:40 pm

4 Replies

4590 Views

Last post by satish2414
Tue Mar 15, 2016 8:25 pm
Problems in Fe clean surface optimization

Last post by alex « Thu Mar 10, 2016 6:28 pm
Replies: 3
by luisazofra » Tue Mar 08, 2016 4:43 pm

3 Replies

5345 Views

Last post by alex
Thu Mar 10, 2016 6:28 pm

New Topic

5867 topics

Page 166 of 294
- Jump to page:
Previous
1
…
164
165
166
167
168
…
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