Using VASP

Moderators: Global Moderator, Moderator

New Topic

5419 topics

Page 157 of 271
- Jump to page:
Previous
1
…
155
156
157
158
159
…
271
Next

Topics

Replies

Views

Last post

how to obtain the HEAD of the dielectric tensor

Last post by eariel « Tue Jan 07, 2014 1:10 pm
Replies: 1
by eariel » Fri Dec 20, 2013 8:42 pm

1 Replies

1652 Views

Last post by eariel
Tue Jan 07, 2014 1:10 pm
How to select N1,N2,N3 in k-point file.

Last post by eariel « Tue Jan 07, 2014 11:35 am
Replies: 6
by shyam » Mon Dec 23, 2013 7:41 am

6 Replies

2952 Views

Last post by eariel
Tue Jan 07, 2014 11:35 am
Differentiate between H+ and H

Last post by alex « Tue Jan 07, 2014 10:55 am
Replies: 1
by Fauzee » Tue Jan 07, 2014 7:41 am

1 Replies

1045 Views

Last post by alex
Tue Jan 07, 2014 10:55 am
spin-orbit coupling of Bi2Te3

Last post by mickeyshaughnessy « Tue Jan 07, 2014 12:27 am
Replies: 3
by bioggg » Fri Dec 27, 2013 4:30 pm

3 Replies

2412 Views

Last post by mickeyshaughnessy
Tue Jan 07, 2014 12:27 am
Where is my HOMO?

Last post by WolverBean « Tue Jan 07, 2014 12:17 am
Replies: 2
by kmkumar » Thu Jan 02, 2014 5:36 pm

2 Replies

2330 Views

Last post by WolverBean
Tue Jan 07, 2014 12:17 am
Correct relaxation steps for (anti)ferromagnetism materials

Last post by Yue-Wen Fang « Mon Jan 06, 2014 8:20 am
Replies: 2
by Yue-Wen Fang » Tue Dec 31, 2013 10:42 am

2 Replies

4348 Views

Last post by Yue-Wen Fang
Mon Jan 06, 2014 8:20 am
Hybrid functionals, recommended practice for defects calculations

Last post by WolverBean « Sun Jan 05, 2014 7:19 pm
Replies: 2
by Neutrino » Wed Aug 28, 2013 5:26 pm

2 Replies

2183 Views

Last post by WolverBean
Sun Jan 05, 2014 7:19 pm
LSDA+U for Hydrogen addition

Last post by WolverBean « Sun Jan 05, 2014 6:39 pm
Replies: 1
by ccccc » Mon Dec 16, 2013 3:40 pm

1 Replies

1469 Views

Last post by WolverBean
Sun Jan 05, 2014 6:39 pm
Convergence issues in spinpolarized calculations of adsorbates on TM surfaces

Last post by WolverBean « Sun Jan 05, 2014 6:17 pm
Replies: 1
by kolb_surfcat » Thu Dec 19, 2013 11:22 am

1 Replies

1856 Views

Last post by WolverBean
Sun Jan 05, 2014 6:17 pm
how to I start a job that does not finish 1 ionic step due to size

Last post by admin « Fri Jan 03, 2014 1:16 pm
Replies: 1
by browningcitori » Mon Dec 30, 2013 4:00 pm

1 Replies

1139 Views

Last post by admin
Fri Jan 03, 2014 1:16 pm
no initial positions read in

Last post by admin « Thu Jan 02, 2014 1:05 pm
Replies: 9
by linglin » Wed Apr 09, 2008 1:40 am

9 Replies

9237 Views

Last post by admin
Thu Jan 02, 2014 1:05 pm
How to set kpoints file in simulation of surfaces.

Last post by sanghongqian « Tue Dec 31, 2013 3:20 pm
Replies: 1
by shyam » Tue Dec 24, 2013 3:56 pm

1 Replies

1198 Views

Last post by sanghongqian
Tue Dec 31, 2013 3:20 pm
Spin and magnetic for the

Last post by mwchang « Thu Dec 26, 2013 1:14 pm
Replies: 1
by mwchang » Thu Dec 26, 2013 11:09 am

1 Replies

1557 Views

Last post by mwchang
Thu Dec 26, 2013 1:14 pm
negative frequency-dependent imaginary dielectric constant in GW calculation

Last post by kamalch « Tue Dec 24, 2013 2:42 pm
Replies: 1
by nanofish » Wed Nov 10, 2010 3:26 pm

1 Replies

2174 Views

Last post by kamalch
Tue Dec 24, 2013 2:42 pm
Cr2O3 in pure state

Last post by TarekHammad « Sun Dec 22, 2013 3:42 pm
Replies: 3
by superyoyo » Mon Nov 29, 2010 5:29 am

3 Replies

3153 Views

Last post by TarekHammad
Sun Dec 22, 2013 3:42 pm
modified becke-johnson mBJ

Last post by wyxsdu « Tue Dec 17, 2013 11:30 am
Replies: 5
by user224 » Sat Aug 10, 2013 8:05 pm

5 Replies

2853 Views

Last post by wyxsdu
Tue Dec 17, 2013 11:30 am
calculate the dipole moment of a slab

Last post by dhfphysics « Tue Dec 17, 2013 2:48 am
Replies: 1
by hanhanfudan » Tue Oct 16, 2012 6:33 am

1 Replies

6931 Views

Last post by dhfphysics
Tue Dec 17, 2013 2:48 am
Simulated STM images with vasp

Last post by kambiz « Mon Dec 16, 2013 3:28 am
Replies: 2
by shyam » Thu Sep 05, 2013 12:41 pm

2 Replies

1951 Views

Last post by kambiz
Mon Dec 16, 2013 3:28 am
Which PAW for Hartree-Fock calculations?

Last post by eariel « Thu Dec 12, 2013 12:42 pm
Replies: 1
by ahyla » Wed Dec 11, 2013 9:50 pm

1 Replies

1587 Views

Last post by eariel
Thu Dec 12, 2013 12:42 pm
Relaxation of ions with EFIELD_PEAD

Last post by eariel « Tue Dec 10, 2013 12:11 pm
Replies: 1
by jq » Fri Apr 06, 2012 5:59 am

1 Replies

2991 Views

Last post by eariel
Tue Dec 10, 2013 12:11 pm

New Topic

5419 topics

Page 157 of 271
- Jump to page:
Previous
1
…
155
156
157
158
159
…
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