GW calculations

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Yambo school 2025 in Modena, Italy

by Daniele Varsano » Fri Feb 14, 2025 8:37 am
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by Daniele Varsano » Fri Feb 14, 2025 8:37 am » in Announcements and Job offers

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README first

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Statistics

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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: 2697

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: 7565

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: 3727

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: 18847

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: 11833

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: 2693

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
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2

3

4
Replies: 37
Views: 26511

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: 2645

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: 8150

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: 2118

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: 2216

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: 3735

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: 3158

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: 2066

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: 2412

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: 2027

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: 14574

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: 1907

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: 3025

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: 3199

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: 1960

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: 1745

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: 2881

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: 6396

Last post by pyadav
Sun Feb 07, 2021 1:00 pm
Weird behaviour while converging

by Bruno » Thu Jan 07, 2021 12:20 pm
Last post by Bruno » Fri Jan 08, 2021 8:31 pm
Replies: 8
by Bruno » Thu Jan 07, 2021 12:20 pm

Replies: 8
Views: 4772

Last post by Bruno
Fri Jan 08, 2021 8:31 pm

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