Using VASP

Moderators: Global Moderator, Moderator

New Topic

5563 topics

Page 143 of 279
- Jump to page:
Previous
1
…
141
142
143
144
145
…
279
Next

Topics

Replies

Views

Last post

Pseudopotential of Cerium (Ce)

Last post by fujisaki_takaya1 « Fri Jun 05, 2020 8:44 am
Replies: 2
by fujisaki_takaya1 » Thu May 21, 2020 2:50 am

2 Replies

5074 Views

Last post by fujisaki_takaya1
Fri Jun 05, 2020 8:44 am
Efficiency of the TPSSh Functional

Last post by oliver_conquest « Mon Jun 01, 2020 9:51 am
Replies: 3
by oliver_conquest » Mon May 25, 2020 7:16 am

3 Replies

5066 Views

Last post by oliver_conquest
Mon Jun 01, 2020 9:51 am
structure of potcat file

Last post by ferenc_karsai « Tue May 26, 2020 6:38 am
Replies: 1
by KWH » Mon May 04, 2020 5:47 pm

1 Replies

3515 Views

Last post by ferenc_karsai
Tue May 26, 2020 6:38 am
exciton wave functions

Last post by deyan_mihaylov2 « Wed May 20, 2020 2:26 am
Replies: 3
by cakir » Thu Jun 05, 2014 12:00 pm

3 Replies

5179 Views

Last post by deyan_mihaylov2
Wed May 20, 2020 2:26 am
MD-simulations

Last post by ferenc_karsai « Wed May 13, 2020 12:19 pm
Replies: 1
by Dragonling » Mon Apr 20, 2020 7:54 pm

1 Replies

3859 Views

Last post by ferenc_karsai
Wed May 13, 2020 12:19 pm
Orbitals calculation in MD-simulations

Last post by merzuk.kaltak « Mon Mar 30, 2020 12:56 pm
Replies: 3
by Dragonling » Tue Mar 24, 2020 5:27 pm

3 Replies

4570 Views

Last post by merzuk.kaltak
Mon Mar 30, 2020 12:56 pm
"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

3589 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

4053 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

3270 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

3270 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

3307 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

7121 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

4651 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

5451 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

4875 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

4042 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

8187 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

3816 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

8554 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

3047 Views

Last post by martin.schlipf
Thu Feb 06, 2020 3:56 pm

New Topic

5563 topics

Page 143 of 279
- Jump to page:
Previous
1
…
141
142
143
144
145
…
279
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