Using VASP

Moderators: Global Moderator, Moderator

New Topic

5341 topics

Page 131 of 268
- Jump to page:
Previous
1
…
129
130
131
132
133
…
268
Next

Topics

Replies

Views

Last post

Energy conserved in MD simulation using NVE ensemble

Last post by martin.schlipf « Thu Jul 09, 2020 7:15 am
Replies: 5
by gniding » Tue Jul 07, 2020 5:31 am

5 Replies

4614 Views

Last post by martin.schlipf
Thu Jul 09, 2020 7:15 am
Proper piezoelectric tensor

Last post by jacekwu « Wed Jul 01, 2020 9:27 am
Replies: 5
by phenyl » Thu May 26, 2011 1:57 am

5 Replies

5463 Views

Last post by jacekwu
Wed Jul 01, 2020 9:27 am
Help with NEB (VTST)

Last post by lavrenty_gutsev « Sat Jun 27, 2020 7:51 am
Replies: 4
by lavrenty_gutsev » Mon Mar 02, 2020 12:03 pm

4 Replies

5074 Views

Last post by lavrenty_gutsev
Sat Jun 27, 2020 7:51 am
Point group symmetry of a space group

Last post by fislam « Fri Jun 26, 2020 9:07 am
Replies: 2
by fislam » Thu Jun 25, 2020 3:37 pm

2 Replies

4408 Views

Last post by fislam
Fri Jun 26, 2020 9:07 am
Piezoelectric tensor calculations (LEPSILON)

Last post by martin.schlipf « Mon Jun 22, 2020 2:34 pm
Replies: 1
by marcofronzi » Mon Jun 22, 2020 2:13 am

1 Replies

3304 Views

Last post by martin.schlipf
Mon Jun 22, 2020 2:34 pm
LOCPOT with LDAU

Last post by martin.schlipf « Mon Jun 22, 2020 2:19 pm
Replies: 1
by geunsik_lee1 » Fri Jun 19, 2020 7:53 am

1 Replies

2540 Views

Last post by martin.schlipf
Mon Jun 22, 2020 2:19 pm
MD get data of lattice constant-Temperature

Last post by martin.schlipf « Mon Jun 22, 2020 2:14 pm
Replies: 1
by xiaohan_bie1 » Mon Jun 22, 2020 4:36 am

1 Replies

2623 Views

Last post by martin.schlipf
Mon Jun 22, 2020 2:14 pm
potpaw_PBE for Zr

Last post by law5son « Thu Jun 11, 2020 1:21 am
Replies: 4
by butterfly » Thu Nov 17, 2011 5:50 pm

4 Replies

5599 Views

Last post by law5son
Thu Jun 11, 2020 1:21 am
Multipole Correction for Adsorption Energies of Charged Molecules

Last post by ferenc_karsai « Wed Jun 10, 2020 11:05 am
Replies: 2
by oliver_conquest » Mon Jun 08, 2020 11:11 am

2 Replies

3265 Views

Last post by ferenc_karsai
Wed Jun 10, 2020 11:05 am
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

3742 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

3658 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

2550 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

3872 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

3042 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

3252 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

2675 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

2895 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

2399 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

2285 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

2478 Views

Last post by merzuk.kaltak
Mon Mar 30, 2020 9:33 am

New Topic

5341 topics

Page 131 of 268
- Jump to page:
Previous
1
…
129
130
131
132
133
…
268
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