GW calculations

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano

New Topic

412 topics

Page 7 of 17
- Jump to page:
Previous
1
…
5
6
7
8
9
…
17
Next

Announcements

Statistics

Last post

README first

by andrea marini » Wed Apr 08, 2009 9:05 am
Posted in Compilation
Replies: 0
by andrea marini » Wed Apr 08, 2009 9:05 am » in Compilation

Replies: 0
Views: 858740

Last post by andrea marini
Wed Apr 08, 2009 9:05 am

Topics

Statistics

Last post

Slightly high G0W0 quasiparticle gap

by subhayan » Mon Dec 20, 2021 9:23 pm
Last post by subhayan » Tue Dec 21, 2021 11:27 pm
Replies: 3
by subhayan » Mon Dec 20, 2021 9:23 pm

Replies: 3
Views: 3959

Last post by subhayan
Tue Dec 21, 2021 11:27 pm
Very high QP eigenvalue for lowest orbital

by subhayan » Mon Dec 06, 2021 10:49 pm
Last post by subhayan » Tue Dec 07, 2021 10:19 am
Replies: 2
by subhayan » Mon Dec 06, 2021 10:49 pm

Replies: 2
Views: 3065

Last post by subhayan
Tue Dec 07, 2021 10:19 am
Vacuum spacing in 2D materials

by Laura Caputo » Wed Sep 08, 2021 1:30 pm
Last post by Daniele Varsano » Tue Nov 02, 2021 5:34 pm
Replies: 10
by Laura Caputo » Wed Sep 08, 2021 1:30 pm
1

2
Replies: 10
Views: 12426

Last post by Daniele Varsano
Tue Nov 02, 2021 5:34 pm
NGsBlkXp convergence

by 8813204602 » Sun Oct 24, 2021 4:45 pm
Last post by Daniele Varsano » Sat Oct 30, 2021 10:28 am
Replies: 5
by 8813204602 » Sun Oct 24, 2021 4:45 pm

Replies: 5
Views: 4330

Last post by Daniele Varsano
Sat Oct 30, 2021 10:28 am
G0W0 @ PBE+U with Yambo

by boubacar » Fri Mar 23, 2018 5:15 pm
Last post by Daniele Varsano » Wed Oct 06, 2021 8:16 am
Replies: 25
by boubacar » Fri Mar 23, 2018 5:15 pm
1

2

3
Replies: 25
Views: 25922

Last post by Daniele Varsano
Wed Oct 06, 2021 8:16 am
NAN correction in gw.qp file

by ljzhou86 » Sat Apr 20, 2019 10:40 am
Last post by Daniele Varsano » Tue Oct 05, 2021 9:32 am
Replies: 11
by ljzhou86 » Sat Apr 20, 2019 10:40 am
1

2
Replies: 11
Views: 17516

Last post by Daniele Varsano
Tue Oct 05, 2021 9:32 am
GW correction is NaN

by clin » Fri Sep 17, 2021 12:12 pm
Last post by clin » Fri Sep 17, 2021 2:57 pm
Replies: 2
by clin » Fri Sep 17, 2021 12:12 pm

Replies: 2
Views: 3408

Last post by clin
Fri Sep 17, 2021 2:57 pm
GW convergence

by arb83@cam.ac.uk » Thu Oct 01, 2020 5:18 pm
Last post by claudio » Tue Aug 31, 2021 11:11 am
Replies: 37
by arb83@cam.ac.uk » Thu Oct 01, 2020 5:18 pm
1

2

3

4
Replies: 37
Views: 29425

Last post by claudio
Tue Aug 31, 2021 11:11 am
GW calculation for a 2D metallic system

by 8813204602 » Sun Aug 01, 2021 7:30 pm
Last post by 8813204602 » Tue Aug 03, 2021 4:40 pm
Replies: 2
by 8813204602 » Sun Aug 01, 2021 7:30 pm

Replies: 2
Views: 3339

Last post by 8813204602
Tue Aug 03, 2021 4:40 pm
The applicability of GW0 calculation on compounds

by hplan » Fri Apr 24, 2009 11:23 am
Last post by Daniele Varsano » Tue Jul 27, 2021 1:51 pm
Replies: 6
by hplan » Fri Apr 24, 2009 11:23 am

Replies: 6
Views: 10172

Last post by Daniele Varsano
Tue Jul 27, 2021 1:51 pm
QP gap of black phosphorus

by burkzdemir » Mon Jul 26, 2021 7:50 pm
Last post by Daniele Varsano » Tue Jul 27, 2021 8:46 am
Replies: 1
by burkzdemir » Mon Jul 26, 2021 7:50 pm

Replies: 1
Views: 2305

Last post by Daniele Varsano
Tue Jul 27, 2021 8:46 am
Convergence of k-point mesh

by Laura Caputo » Sun Jun 20, 2021 11:32 am
Last post by Daniele Varsano » Sun Jun 20, 2021 3:01 pm
Replies: 1
by Laura Caputo » Sun Jun 20, 2021 11:32 am

Replies: 1
Views: 2323

Last post by Daniele Varsano
Sun Jun 20, 2021 3:01 pm
Sudden jumps in GW band structure

by riemann » Sun May 23, 2021 7:38 am
Last post by Daniele Varsano » Tue May 25, 2021 8:41 am
Replies: 5
by riemann » Sun May 23, 2021 7:38 am

Replies: 5
Views: 5254

Last post by Daniele Varsano
Tue May 25, 2021 8:41 am
nonphysically large HF corrections

by riemann » Thu May 20, 2021 9:21 am
Last post by Daniele Varsano » Fri May 21, 2021 9:05 am
Replies: 3
by riemann » Thu May 20, 2021 9:21 am

Replies: 3
Views: 4130

Last post by Daniele Varsano
Fri May 21, 2021 9:05 am
spin-orbit interaction

by niloufar » Thu Apr 29, 2021 9:08 am
Last post by Daniele Varsano » Thu Apr 29, 2021 10:48 am
Replies: 1
by niloufar » Thu Apr 29, 2021 9:08 am

Replies: 1
Views: 2200

Last post by Daniele Varsano
Thu Apr 29, 2021 10:48 am
QP gap of Si

by burkzdemir » Sun Apr 11, 2021 6:08 pm
Last post by burkzdemir » Tue Apr 13, 2021 5:53 pm
Replies: 2
by burkzdemir » Sun Apr 11, 2021 6:08 pm

Replies: 2
Views: 3054

Last post by burkzdemir
Tue Apr 13, 2021 5:53 pm
Hybrid functional GAU-PBE and Yambo

by javad » Tue Apr 13, 2021 12:49 pm
Last post by Daniele Varsano » Tue Apr 13, 2021 1:33 pm
Replies: 1
by javad » Tue Apr 13, 2021 12:49 pm

Replies: 1
Views: 2076

Last post by Daniele Varsano
Tue Apr 13, 2021 1:33 pm
RIM step hangs when calculating HF bandgap

by arb83@cam.ac.uk » Mon Jul 27, 2020 5:50 pm
Last post by arb83@cam.ac.uk » Fri Mar 12, 2021 11:17 am
Replies: 19
by arb83@cam.ac.uk » Mon Jul 27, 2020 5:50 pm
1

2
Replies: 19
Views: 21701

Last post by arb83@cam.ac.uk
Fri Mar 12, 2021 11:17 am
Some convergence problems

by WEIW » Thu Mar 11, 2021 8:49 am
Last post by Daniele Varsano » Thu Mar 11, 2021 9:30 am
Replies: 1
by WEIW » Thu Mar 11, 2021 8:49 am

Replies: 1
Views: 2227

Last post by Daniele Varsano
Thu Mar 11, 2021 9:30 am
G0W0 calculations on double grid

by mrefiore » Mon Mar 01, 2021 1:10 pm
Last post by mrefiore » Tue Mar 02, 2021 3:18 pm
Replies: 3
by mrefiore » Mon Mar 01, 2021 1:10 pm

Replies: 3
Views: 3933

Last post by mrefiore
Tue Mar 02, 2021 3:18 pm
BSE output: dark singlet excitons

by DavidPolito93 » Mon Mar 01, 2021 9:36 am
Last post by Daniele Varsano » Tue Mar 02, 2021 10:05 am
Replies: 4
by DavidPolito93 » Mon Mar 01, 2021 9:36 am

Replies: 4
Views: 3680

Last post by Daniele Varsano
Tue Mar 02, 2021 10:05 am
Error in Gw calculations (wrong band lines)

by mjakhar7665 » Tue Feb 16, 2021 5:19 pm
Last post by Daniele Varsano » Tue Feb 16, 2021 5:48 pm
Replies: 1
by mjakhar7665 » Tue Feb 16, 2021 5:19 pm

Replies: 1
Views: 2032

Last post by Daniele Varsano
Tue Feb 16, 2021 5:48 pm
Gw+bse optical properties

by mjakhar7665 » Sat Feb 13, 2021 5:53 pm
Last post by Daniele Varsano » Sat Feb 13, 2021 8:01 pm
Replies: 1
by mjakhar7665 » Sat Feb 13, 2021 5:53 pm

Replies: 1
Views: 1783

Last post by Daniele Varsano
Sat Feb 13, 2021 8:01 pm
Error in Gw calculations

by mjakhar7665 » Tue Feb 09, 2021 10:29 am
Last post by Daniele Varsano » Wed Feb 10, 2021 5:42 pm
Replies: 3
by mjakhar7665 » Tue Feb 09, 2021 10:29 am

Replies: 3
Views: 2930

Last post by Daniele Varsano
Wed Feb 10, 2021 5:42 pm
GW issue

by lamia » Tue Aug 11, 2020 1:06 am
Last post by pyadav » Sun Feb 07, 2021 1:00 pm
Replies: 8
by lamia » Tue Aug 11, 2020 1:06 am

Replies: 8
Views: 6447

Last post by pyadav
Sun Feb 07, 2021 1:00 pm

New Topic

412 topics

Page 7 of 17
- Jump to page:
Previous
1
…
5
6
7
8
9
…
17
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