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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README first

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GW calculations stops at dipoles

by burkzdemir » Mon Jan 31, 2022 2:29 pm
Last post by burkzdemir » Sat Feb 05, 2022 9:59 pm
Replies: 12
by burkzdemir » Mon Jan 31, 2022 2:29 pm
1

2
Replies: 12
Views: 5449

Last post by burkzdemir
Sat Feb 05, 2022 9:59 pm
GW band structure

by 8813204602 » Fri Jan 28, 2022 10:10 am
Last post by 8813204602 » Fri Jan 28, 2022 11:20 am
Replies: 4
by 8813204602 » Fri Jan 28, 2022 10:10 am

Replies: 4
Views: 2566

Last post by 8813204602
Fri Jan 28, 2022 11:20 am
Band gap convergence

by Laura Caputo » Mon Jan 17, 2022 11:30 am
Last post by Laura Caputo » Fri Jan 21, 2022 10:48 am
Replies: 13
by Laura Caputo » Mon Jan 17, 2022 11:30 am
1

2
Replies: 13
Views: 5512

Last post by Laura Caputo
Fri Jan 21, 2022 10:48 am
Separate convergence for two spin modes

by 8813204602 » Sat Oct 09, 2021 9:12 pm
Last post by Daniele Varsano » Tue Jan 18, 2022 9:26 am
Replies: 3
by 8813204602 » Sat Oct 09, 2021 9:12 pm

Replies: 3
Views: 2219

Last post by Daniele Varsano
Tue Jan 18, 2022 9:26 am
GW calculation on methanol

by subhayan » Fri Dec 31, 2021 2:32 pm
Last post by subhayan » Mon Jan 03, 2022 9:02 am
Replies: 3
by subhayan » Fri Dec 31, 2021 2:32 pm

Replies: 3
Views: 2354

Last post by subhayan
Mon Jan 03, 2022 9:02 am
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: 2281

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: 2044

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: 5110

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: 2480

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: 14217

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: 8725

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: 1974

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: 18076

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: 2007

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: 6783

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: 1633

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: 1703

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: 2573

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: 2367

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: 1674

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: 1826

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: 1506

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: 8517

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: 1367

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: 2248

Last post by mrefiore
Tue Mar 02, 2021 3:18 pm

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