Questions of type "How do I calculate xxx ?"
(Open discussion, limited support from the helpdesk.)
Moderators: Global Moderator, Moderator
-
- Atomization energy calculation in VASP.
by Bikash Patra » Thu Nov 16, 2017 2:29 pm
- 0 Replies
- 166 Views
- Last post by Bikash Patra
Thu Nov 16, 2017 2:29 pm
-
- Different results with the same input of energy calculation
by mhl980 » Mon Nov 13, 2017 8:49 am
- 1 Replies
- 255 Views
- Last post by mhl980
Mon Nov 13, 2017 2:56 pm
-
- Imaginary modes
by Tobias Kraemer » Mon Nov 13, 2017 12:39 pm
- 0 Replies
- 199 Views
- Last post by Tobias Kraemer
Mon Nov 13, 2017 12:39 pm
-
- H diffusion pathway using NEB and CI-NEB
by anilboda » Fri Nov 10, 2017 5:54 am
- 0 Replies
- 151 Views
- Last post by anilboda
Fri Nov 10, 2017 5:54 am
-
- Need Momentum Matrix Element for Charge Transport Calculatio
by debmalya760 » Thu Nov 09, 2017 9:12 pm
- 0 Replies
- 144 Views
- Last post by debmalya760
Thu Nov 09, 2017 9:12 pm
-
- Total Energy from Density of States
by spicykamal » Wed Nov 08, 2017 3:57 pm
- 0 Replies
- 172 Views
- Last post by spicykamal
Wed Nov 08, 2017 3:57 pm
-
- Transition State Search through CI-NEB
by seemagautam » Tue Oct 24, 2017 10:26 am
- 2 Replies
- 277 Views
- Last post by seemagautam
Tue Oct 31, 2017 5:25 am
-
- How to access VASP on the web
by timur » Mon Oct 23, 2017 9:50 pm
- 0 Replies
- 192 Views
- Last post by timur
Mon Oct 23, 2017 9:50 pm
-
- d-band center calculation
by mdhossain » Tue Oct 17, 2017 12:56 pm
- 1 Replies
- 200 Views
- Last post by alex
Wed Oct 18, 2017 4:03 pm
-
- Optical properties for spin polarizaed case
by ravi » Sun Oct 08, 2017 12:03 pm
- 0 Replies
- 201 Views
- Last post by ravi
Sun Oct 08, 2017 12:03 pm
-
- HSE band structure does not commensurate with GGA result
by Kester » Fri Sep 29, 2017 8:27 am
- 0 Replies
- 241 Views
- Last post by Kester
Fri Sep 29, 2017 8:27 am
-
- Limit the energy range in BSE calculation
by z9wang » Tue Sep 26, 2017 7:56 am
- 1 Replies
- 173 Views
- Last post by admin
Thu Sep 28, 2017 10:48 am
-
- damped MD; temperature fluctuations
by anindya2710 » Sun Sep 24, 2017 8:19 pm
- 1 Replies
- 182 Views
- Last post by admin
Tue Sep 26, 2017 12:45 pm
-
- Energy is not converged with HSE06 under polarized-system
by VASP001 » Mon Sep 11, 2017 4:30 am
- 5 Replies
- 269 Views
- Last post by alex
Tue Sep 26, 2017 11:34 am
-
- How to calculate dipole moment in VASP code?
by zhibin » Wed Sep 20, 2017 5:55 pm
- 0 Replies
- 657 Views
- Last post by zhibin
Wed Sep 20, 2017 5:55 pm
-
- Hessian matrix IBRION=6
by Tobias Kraemer » Wed Aug 23, 2017 12:22 pm
- 3 Replies
- 340 Views
- Last post by alex
Sat Sep 09, 2017 8:46 am
-
- ERROR in subspace rotation PSSYEVX: not enough eigenvalues
by mdhossain » Sat Aug 26, 2017 6:13 am
- 0 Replies
- 231 Views
- Last post by mdhossain
Sat Aug 26, 2017 6:13 am
-
- What to set for ISMEAR for MoS2
by argon214 » Fri Aug 25, 2017 6:36 pm
- 0 Replies
- 173 Views
- Last post by argon214
Fri Aug 25, 2017 6:36 pm
-
- Phonon calculation in parallel mode
by Tobias Kraemer » Thu Jul 20, 2017 4:29 pm
- 4 Replies
- 525 Views
- Last post by Tobias Kraemer
Tue Aug 22, 2017 3:37 pm
-
- High Ueff for semiconductor surfaces shows bad convergence
by Somil Gupta » Tue Aug 22, 2017 9:32 am
- 0 Replies
- 142 Views
- Last post by Somil Gupta
Tue Aug 22, 2017 9:32 am
Return to Board index
Who is online
Users browsing this forum: No registered users and 2 guests
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