Using VASP

Moderators: Global Moderator, Moderator

New Topic

5595 topics

Page 145 of 280
- Jump to page:
Previous
1
…
143
144
145
146
147
…
280
Next

Topics

Replies

Views

Last post

"Planned" vs "present" VASP6 features, automatic params for hybrid functionals

Last post by merzuk.kaltak « Mon Mar 30, 2020 12:48 pm
Replies: 1
by mkhorton » Fri Feb 07, 2020 12:35 am

1 Replies

3739 Views

Last post by merzuk.kaltak
Mon Mar 30, 2020 12:48 pm
vasp/5.5.4-omc submission script

Last post by merzuk.kaltak « Mon Mar 30, 2020 9:44 am
Replies: 1
by nicola_zagni » Wed Mar 11, 2020 1:07 pm

1 Replies

4255 Views

Last post by merzuk.kaltak
Mon Mar 30, 2020 9:44 am
AFM and magnetic constraint

Last post by merzuk.kaltak « Mon Mar 30, 2020 9:38 am
Replies: 1
by chandani_nandadasa1 » Sun Mar 29, 2020 8:55 pm

1 Replies

3421 Views

Last post by merzuk.kaltak
Mon Mar 30, 2020 9:38 am
Unit in CVTOT

Last post by merzuk.kaltak « Mon Mar 30, 2020 9:36 am
Replies: 1
by leo_ma55 » Thu Mar 12, 2020 10:41 am

1 Replies

3448 Views

Last post by merzuk.kaltak
Mon Mar 30, 2020 9:36 am
help! trying to generate band structure of my system

Last post by merzuk.kaltak « Mon Mar 30, 2020 9:33 am
Replies: 1
by wenkai_zhang » Mon Feb 10, 2020 5:18 pm

1 Replies

3511 Views

Last post by merzuk.kaltak
Mon Mar 30, 2020 9:33 am
format of the PROCAR file

Last post by merzuk.kaltak « Mon Mar 23, 2020 3:37 pm
Replies: 3
by igor » Mon Apr 23, 2007 2:25 pm

3 Replies

7383 Views

Last post by merzuk.kaltak
Mon Mar 23, 2020 3:37 pm
internal ERROR: LINEAR_RESPONSE_DIIS matrix is zero

Last post by henrique_miranda « Mon Mar 23, 2020 11:22 am
Replies: 2
by jacekwu » Tue Feb 19, 2019 3:04 am

2 Replies

4875 Views

Last post by henrique_miranda
Mon Mar 23, 2020 11:22 am
Energy Contributions and Total Energy

Last post by maximilian_hoedl1 « Mon Mar 23, 2020 9:40 am
Replies: 2
by maximilian_hoedl1 » Fri Mar 20, 2020 3:36 pm

2 Replies

5840 Views

Last post by maximilian_hoedl1
Mon Mar 23, 2020 9:40 am
phase in PROCAR for LORBIT=12

Last post by xiaoming_wang « Tue Mar 10, 2020 8:00 pm
Replies: 3
by xiaoming_wang » Mon Feb 10, 2020 6:12 am

3 Replies

5190 Views

Last post by xiaoming_wang
Tue Mar 10, 2020 8:00 pm
Partial Pair correlation functions

Last post by henrique_miranda « Wed Mar 04, 2020 9:24 am
Replies: 2
by powert » Thu Jul 06, 2017 8:42 pm

2 Replies

4238 Views

Last post by henrique_miranda
Wed Mar 04, 2020 9:24 am
Question about phases in PROCAR

Last post by xiaoming_wang « Wed Mar 04, 2020 4:52 am
Replies: 6
by tomic » Fri Aug 23, 2013 3:42 pm

6 Replies

8542 Views

Last post by xiaoming_wang
Wed Mar 04, 2020 4:52 am
Starting an unconstrained collinear magnetism calculation from a pre-converged constrained calculation

Last post by henrique_miranda « Tue Feb 25, 2020 1:19 pm
Replies: 1
by mdh1992 » Tue Feb 25, 2020 9:51 am

1 Replies

4495 Views

Last post by henrique_miranda
Tue Feb 25, 2020 1:19 pm
Binding Energy in Hybrid system

Last post by martin.schlipf « Wed Feb 12, 2020 7:39 am
Replies: 10
by SKM » Fri Jan 10, 2020 3:00 am

10 Replies

9134 Views

Last post by martin.schlipf
Wed Feb 12, 2020 7:39 am
B3LYP issue: AGGAC vs. ALDAC

Last post by martin.schlipf « Thu Feb 06, 2020 3:56 pm
Replies: 1
by kich2018 » Fri Jan 31, 2020 5:24 am

1 Replies

3219 Views

Last post by martin.schlipf
Thu Feb 06, 2020 3:56 pm
force and energy change after static calculation

Last post by SKM « Fri Jan 31, 2020 2:12 am
Replies: 6
by mariesto » Thu Apr 09, 2009 11:16 pm

6 Replies

8442 Views

Last post by SKM
Fri Jan 31, 2020 2:12 am
Query on hydrogen adsorption energy

Last post by surinder « Mon Jan 27, 2020 6:56 am
Replies: 2
by surinder » Tue Jan 21, 2020 1:41 pm

2 Replies

4783 Views

Last post by surinder
Mon Jan 27, 2020 6:56 am
(NiO example) need help with the J2 calculation

Last post by taishan@mit.edu « Sat Jan 25, 2020 10:22 pm
Replies: 4
by taishan@mit.edu » Sun Jan 19, 2020 8:55 pm

4 Replies

5297 Views

Last post by taishan@mit.edu
Sat Jan 25, 2020 10:22 pm
which is a more reasonable way to control unpaired electrons ?

Last post by martin.schlipf « Thu Jan 23, 2020 9:57 am
Replies: 2
by zongtan_fang1 » Sun Jan 05, 2020 3:44 am

2 Replies

4254 Views

Last post by martin.schlipf
Thu Jan 23, 2020 9:57 am
how to obtain all-electron charge distribution

Last post by martin.schlipf « Thu Jan 23, 2020 9:26 am
Replies: 1
by monty-wang » Thu Jan 02, 2020 1:38 pm

1 Replies

3303 Views

Last post by martin.schlipf
Thu Jan 23, 2020 9:26 am
Why did GGA+U give different energies with the same input?

Last post by rolando_saniz1 « Wed Jan 22, 2020 2:17 pm
Replies: 3
by zongtan_fang1 » Tue Dec 17, 2019 5:07 pm

3 Replies

4510 Views

Last post by rolando_saniz1
Wed Jan 22, 2020 2:17 pm

New Topic

5595 topics

Page 145 of 280
- Jump to page:
Previous
1
…
143
144
145
146
147
…
280
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