GW calculations

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Yambo school 2025 in Modena, Italy

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README first

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Coulomb cutoff and vacuum size

by Christian Koenig » Mon Feb 17, 2020 1:44 pm
Last post by Daniele Varsano » Tue Mar 22, 2022 8:38 am
Replies: 11
by Christian Koenig » Mon Feb 17, 2020 1:44 pm
1

2
Replies: 11
Views: 8974

Last post by Daniele Varsano
Tue Mar 22, 2022 8:38 am
Initial layer position for 2D Coulomb truncation

by Bo Peng » Mon Mar 07, 2022 6:32 pm
Last post by Bo Peng » Thu Mar 10, 2022 7:02 pm
Replies: 2
by Bo Peng » Mon Mar 07, 2022 6:32 pm

Replies: 2
Views: 2403

Last post by Bo Peng
Thu Mar 10, 2022 7:02 pm
Explicit band structure vs interpolation

by TreeEggs » Mon Mar 07, 2022 12:59 pm
Last post by Daniele Varsano » Mon Mar 07, 2022 7:10 pm
Replies: 3
by TreeEggs » Mon Mar 07, 2022 12:59 pm

Replies: 3
Views: 2825

Last post by Daniele Varsano
Mon Mar 07, 2022 7:10 pm
Fermi energy and band structure interpolation

by TreeEggs » Fri Feb 18, 2022 3:56 pm
Last post by TreeEggs » Mon Mar 07, 2022 12:43 pm
Replies: 2
by TreeEggs » Fri Feb 18, 2022 3:56 pm

Replies: 2
Views: 2520

Last post by TreeEggs
Mon Mar 07, 2022 12:43 pm
Wrong gap on 1H-MoS2

by Nhat Minh Pham » Mon Feb 21, 2022 7:23 am
Last post by AntimoMarrazzo » Mon Mar 07, 2022 11:46 am
Replies: 7
by Nhat Minh Pham » Mon Feb 21, 2022 7:23 am

Replies: 7
Views: 5420

Last post by AntimoMarrazzo
Mon Mar 07, 2022 11:46 am
Parallel error while running GW

by lamia » Sun Feb 13, 2022 3:18 pm
Last post by Daniele Varsano » Mon Feb 14, 2022 1:09 pm
Replies: 3
by lamia » Sun Feb 13, 2022 3:18 pm

Replies: 3
Views: 2624

Last post by Daniele Varsano
Mon Feb 14, 2022 1:09 pm
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: 5973

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: 2806

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: 6111

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: 2406

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: 2553

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: 2481

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: 2236

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: 5783

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: 2790

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: 15356

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: 9334

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: 2196

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: 19449

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: 2187

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: 7168

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: 1770

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: 1857

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: 2834

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: 2595

Last post by Daniele Varsano
Fri May 21, 2021 9:05 am

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