Using VASP

Moderators: Global Moderator, Moderator

New Topic

5339 topics

Page 141 of 267
- Jump to page:
Previous
1
…
139
140
141
142
143
…
267
Next

Topics

Replies

Views

Last post

How to perform Selective dynamics to Cartesian coordinates

Last post by byin « Thu Jan 21, 2016 3:49 pm
Replies: 3
by byin » Tue Jan 19, 2016 11:48 pm

3 Replies

9203 Views

Last post by byin
Thu Jan 21, 2016 3:49 pm
Spin-orbit coupling

Last post by Neutrino « Wed Jan 20, 2016 6:46 pm
Replies: 2
by farzaneh » Fri Dec 25, 2015 7:06 pm

2 Replies

1798 Views

Last post by Neutrino
Wed Jan 20, 2016 6:46 pm
Restating GW0 calculations

Last post by askhetan « Mon Jan 18, 2016 11:00 am
Replies: 3
by askhetan » Sun Jan 10, 2016 11:44 pm

3 Replies

2247 Views

Last post by askhetan
Mon Jan 18, 2016 11:00 am
Band calculations

Last post by admin « Mon Jan 11, 2016 12:32 pm
Replies: 1
by farzaneh » Thu Dec 24, 2015 4:03 pm

1 Replies

1529 Views

Last post by admin
Mon Jan 11, 2016 12:32 pm
Zero-point energy in OUTCAR

Last post by alex « Mon Jan 11, 2016 12:14 pm
Replies: 1
by sjtuzhanglei » Fri Jan 08, 2016 10:16 pm

1 Replies

4074 Views

Last post by alex
Mon Jan 11, 2016 12:14 pm
WARNING in EDDRMM: call to ZHEGV failed, returncode

Last post by admin « Fri Dec 18, 2015 2:45 pm
Replies: 1
by xskong » Fri Dec 18, 2015 3:36 am

1 Replies

7481 Views

Last post by admin
Fri Dec 18, 2015 2:45 pm
How is the calculating for HOMO and LUMO

Last post by satish2414 « Thu Dec 17, 2015 5:57 pm
Replies: 1
by Won, J.S » Tue Dec 08, 2015 2:26 am

1 Replies

1569 Views

Last post by satish2414
Thu Dec 17, 2015 5:57 pm
Spin Calculations give different results in Plane-wave DFT

Last post by alex « Mon Nov 23, 2015 2:17 pm
Replies: 1
by bhaskarchilukuri » Sat Nov 21, 2015 3:16 am

1 Replies

1723 Views

Last post by alex
Mon Nov 23, 2015 2:17 pm
Total potential energy in MD calculation

Last post by admin « Tue Nov 17, 2015 1:30 pm
Replies: 1
by biswarup » Tue Nov 03, 2015 12:14 pm

1 Replies

1710 Views

Last post by admin
Tue Nov 17, 2015 1:30 pm
IBRION = 6 elastic moduli from ionic relaxartion is negative

Last post by Neutrino « Fri Oct 30, 2015 8:54 pm
Replies: 1
by sjtuzhanglei » Wed Oct 28, 2015 5:28 pm

1 Replies

3508 Views

Last post by Neutrino
Fri Oct 30, 2015 8:54 pm
Total energy calculation about charged defects

Last post by admin « Fri Oct 30, 2015 3:09 pm
Replies: 1
by sunncepu » Thu Oct 22, 2015 12:03 pm

1 Replies

2454 Views

Last post by admin
Fri Oct 30, 2015 3:09 pm
Can I stop a HSE06 job with STOPCAR by setting LABORT=.TRUE.

Last post by liulcc « Tue Oct 27, 2015 10:39 am
Replies: 1
by liulcc » Mon Oct 26, 2015 8:02 am

1 Replies

1449 Views

Last post by liulcc
Tue Oct 27, 2015 10:39 am
The Warning

Last post by admin « Tue Oct 20, 2015 11:55 am
Replies: 1
by VASP001 » Tue Oct 13, 2015 6:20 pm

1 Replies

2465 Views

Last post by admin
Tue Oct 20, 2015 11:55 am
Help in running MD of UCl3-PuCl3 system

Last post by Neutrino « Tue Oct 20, 2015 6:24 am
Replies: 3
by suddhasattwa » Tue Sep 15, 2015 2:03 pm

3 Replies

1845 Views

Last post by Neutrino
Tue Oct 20, 2015 6:24 am
inaccuracy of Pulay stress calculation

Last post by suen « Mon Oct 19, 2015 3:41 pm
Replies: 6
by suen » Tue Sep 22, 2015 10:19 am

6 Replies

3481 Views

Last post by suen
Mon Oct 19, 2015 3:41 pm
Cell volume optimization for magnetic structure

Last post by admin « Thu Oct 15, 2015 12:08 pm
Replies: 6
by lysogors » Fri Oct 09, 2015 7:47 pm

6 Replies

4163 Views

Last post by admin
Thu Oct 15, 2015 12:08 pm
How I select specific plane and specific direction on POSCAR

Last post by Neutrino « Tue Oct 13, 2015 10:51 pm
Replies: 1
by BERNA AKGENC » Mon Oct 12, 2015 3:28 am

1 Replies

1680 Views

Last post by Neutrino
Tue Oct 13, 2015 10:51 pm
Response Function Output format

Last post by Malediction « Thu Oct 01, 2015 3:32 am
Replies: 1
by Malediction » Mon Sep 07, 2015 8:53 am

1 Replies

1299 Views

Last post by Malediction
Thu Oct 01, 2015 3:32 am
pH dependency of surface energy

Last post by admin « Tue Sep 22, 2015 1:03 pm
Replies: 1
by szvasp » Thu Sep 17, 2015 6:16 pm

1 Replies

1733 Views

Last post by admin
Tue Sep 22, 2015 1:03 pm
DOS mismatched with ICHARG=1 and ICHARG=11 calculations

Last post by admin « Tue Sep 22, 2015 11:14 am
Replies: 1
by carhorse » Mon Sep 21, 2015 4:20 pm

1 Replies

1518 Views

Last post by admin
Tue Sep 22, 2015 11:14 am

New Topic

5339 topics

Page 141 of 267
- Jump to page:
Previous
1
…
139
140
141
142
143
…
267
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