Using VASP

Moderators: Global Moderator, Moderator

New Topic

5341 topics

Page 132 of 268
- Jump to page:
Previous
1
…
130
131
132
133
134
…
268
Next

Topics

Replies

Views

Last post

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

5841 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

3626 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

4048 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

3694 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

3122 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

6280 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

2836 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

6141 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

2239 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

5805 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

3431 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

3703 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

3045 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

2239 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

3076 Views

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

Last post by SKM « Thu Dec 19, 2019 3:20 am
Replies: 1
by MemDFT » Sat Jul 27, 2019 12:57 am

1 Replies

3080 Views

Last post by SKM
Thu Dec 19, 2019 3:20 am
Adaptively Compressed Exchange Operator

Last post by merzuk.kaltak « Mon Dec 16, 2019 2:56 pm
Replies: 1
by baranas » Wed Apr 10, 2019 11:03 am

1 Replies

2575 Views

Last post by merzuk.kaltak
Mon Dec 16, 2019 2:56 pm
Correct KPOINT mesh for Relaxation

Last post by guiyang_huang1 « Fri Nov 15, 2019 7:36 pm
Replies: 2
by cameronu » Mon Oct 14, 2019 12:24 pm

2 Replies

3122 Views

Last post by guiyang_huang1
Fri Nov 15, 2019 7:36 pm
About the problem of the convergence of HSE06

Last post by guiyang_huang1 « Fri Nov 15, 2019 7:31 pm
Replies: 3
by VASP001 » Fri Sep 06, 2019 2:18 pm

3 Replies

5343 Views

Last post by guiyang_huang1
Fri Nov 15, 2019 7:31 pm
Non Collinear magnetism

Last post by martin.schlipf « Fri Nov 15, 2019 8:47 am
Replies: 1
by madhu_menon1 » Tue Nov 12, 2019 3:42 pm

1 Replies

2415 Views

Last post by martin.schlipf
Fri Nov 15, 2019 8:47 am

New Topic

5341 topics

Page 132 of 268
- Jump to page:
Previous
1
…
130
131
132
133
134
…
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