GW calculations

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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: 902747

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

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GW QP Bandgap

by Jagjit Kaur » Sat Sep 30, 2023 9:17 am
Last post by Daniele Varsano » Tue Jan 30, 2024 4:12 pm
Replies: 24
by Jagjit Kaur » Sat Sep 30, 2023 9:17 am
1

2

3
Replies: 24
Views: 22301

Last post by Daniele Varsano
Tue Jan 30, 2024 4:12 pm
Inquiry Regarding Use of GW Output for Optical Property Calculation in Yambo

by y.mostafa » Tue Jan 02, 2024 8:04 am
Last post by y.mostafa » Tue Jan 30, 2024 1:33 pm
Replies: 6
by y.mostafa » Tue Jan 02, 2024 8:04 am

Replies: 6
Views: 6227

Last post by y.mostafa
Tue Jan 30, 2024 1:33 pm
The code did not recognize the GW calculation mode.

by Guo_BIT » Thu Jan 11, 2024 6:28 am
Last post by Daniele Varsano » Thu Jan 11, 2024 3:55 pm
Replies: 4
by Guo_BIT » Thu Jan 11, 2024 6:28 am

Replies: 4
Views: 5245

Last post by Daniele Varsano
Thu Jan 11, 2024 3:55 pm
GW calculations reduce the band gap

by Guo_BIT » Thu Jan 04, 2024 10:26 am
Last post by Daniele Varsano » Mon Jan 08, 2024 2:34 pm
Replies: 1
by Guo_BIT » Thu Jan 04, 2024 10:26 am

Replies: 1
Views: 3679

Last post by Daniele Varsano
Mon Jan 08, 2024 2:34 pm
GW PPA termination with no error

by shobhit21287 » Thu Aug 10, 2023 7:45 pm
Last post by Daniele Varsano » Mon Jan 08, 2024 11:59 am
Replies: 24
by shobhit21287 » Thu Aug 10, 2023 7:45 pm
1

2

3
Replies: 24
Views: 54076

Last post by Daniele Varsano
Mon Jan 08, 2024 11:59 am
Segmentation fault (core dumped) in HF calculation

by milesj » Tue Nov 28, 2023 11:01 pm
Last post by Daniele Varsano » Thu Nov 30, 2023 10:48 am
Replies: 5
by milesj » Tue Nov 28, 2023 11:01 pm

Replies: 5
Views: 7264

Last post by Daniele Varsano
Thu Nov 30, 2023 10:48 am
Checking VXCRLvcs convergence

by milesj » Tue Nov 28, 2023 11:52 pm
Last post by Daniele Varsano » Wed Nov 29, 2023 9:29 am
Replies: 1
by milesj » Tue Nov 28, 2023 11:52 pm

Replies: 1
Views: 4864

Last post by Daniele Varsano
Wed Nov 29, 2023 9:29 am
GW corrections of tiny DFT gap

by sdwang » Tue Nov 21, 2023 1:48 am
Last post by Daniele Varsano » Tue Nov 21, 2023 1:55 pm
Replies: 3
by sdwang » Tue Nov 21, 2023 1:48 am

Replies: 3
Views: 5604

Last post by Daniele Varsano
Tue Nov 21, 2023 1:55 pm
parallelisation on various parameters

by manaswitakar » Mon Nov 13, 2023 3:06 pm
Last post by Daniele Varsano » Mon Nov 20, 2023 1:07 pm
Replies: 8
by manaswitakar » Mon Nov 13, 2023 3:06 pm

Replies: 8
Views: 8677

Last post by Daniele Varsano
Mon Nov 20, 2023 1:07 pm
Weird behaviour with NgsBlkXp

by dagosta » Fri Nov 17, 2023 10:38 am
Last post by dagosta » Fri Nov 17, 2023 2:38 pm
Replies: 3
by dagosta » Fri Nov 17, 2023 10:38 am

Replies: 3
Views: 6081

Last post by dagosta
Fri Nov 17, 2023 2:38 pm
Different NGsBlkXp in input and report

by AzulineSky » Wed Nov 01, 2023 3:52 pm
Last post by Daniele Varsano » Thu Nov 02, 2023 9:27 am
Replies: 1
by AzulineSky » Wed Nov 01, 2023 3:52 pm

Replies: 1
Views: 4632

Last post by Daniele Varsano
Thu Nov 02, 2023 9:27 am
GW DOS

by Jagjit Kaur » Mon Oct 30, 2023 4:57 pm
Last post by Daniele Varsano » Tue Oct 31, 2023 12:41 pm
Replies: 1
by Jagjit Kaur » Mon Oct 30, 2023 4:57 pm

Replies: 1
Views: 4480

Last post by Daniele Varsano
Tue Oct 31, 2023 12:41 pm
Empty Screening input file

by KinawyM » Sun Oct 01, 2023 9:41 am
Last post by Daniele Varsano » Wed Oct 18, 2023 10:45 am
Replies: 13
by KinawyM » Sun Oct 01, 2023 9:41 am
1

2
Replies: 13
Views: 11537

Last post by Daniele Varsano
Wed Oct 18, 2023 10:45 am
The magneto-optical Kerr effect

by uguryorulmaz » Thu Oct 12, 2023 5:44 pm
Last post by Davide Sangalli » Fri Oct 13, 2023 9:24 am
Replies: 1
by uguryorulmaz » Thu Oct 12, 2023 5:44 pm

Replies: 1
Views: 4919

Last post by Davide Sangalli
Fri Oct 13, 2023 9:24 am
evGW

by sdwang » Tue Sep 26, 2023 1:46 am
Last post by Daniele Varsano » Fri Oct 13, 2023 8:38 am
Replies: 3
by sdwang » Tue Sep 26, 2023 1:46 am

Replies: 3
Views: 4760

Last post by Daniele Varsano
Fri Oct 13, 2023 8:38 am
GW+ELPH+HF in YAMBO 5.1

by LHuang » Sun Jul 02, 2023 7:42 pm
Last post by LHuang » Wed Oct 11, 2023 9:05 am
Replies: 10
by LHuang » Sun Jul 02, 2023 7:42 pm
1

2
Replies: 10
Views: 9643

Last post by LHuang
Wed Oct 11, 2023 9:05 am
QP corrections NaN in metal

by S_Grillo » Tue Oct 03, 2023 11:59 am
Last post by S_Grillo » Fri Oct 06, 2023 4:32 pm
Replies: 6
by S_Grillo » Tue Oct 03, 2023 11:59 am

Replies: 6
Views: 5907

Last post by S_Grillo
Fri Oct 06, 2023 4:32 pm
NaN in quasiparticle energies calculation with yambo-5.1.2

by Gao Siyuan » Fri Sep 01, 2023 4:45 am
Last post by Davide Sangalli » Thu Oct 05, 2023 9:57 am
Replies: 7
by Gao Siyuan » Fri Sep 01, 2023 4:45 am

Replies: 7
Views: 6785

Last post by Davide Sangalli
Thu Oct 05, 2023 9:57 am
How to generate BSE basis in the EPC luminescence

by jasonhan0710 » Sun Oct 01, 2023 10:50 am
Last post by claudio » Tue Oct 03, 2023 8:58 am
Replies: 1
by jasonhan0710 » Sun Oct 01, 2023 10:50 am

Replies: 1
Views: 3664

Last post by claudio
Tue Oct 03, 2023 8:58 am
GW calculation error

by Akash » Sun Oct 01, 2023 2:13 pm
Last post by Akash » Tue Oct 03, 2023 8:18 am
Replies: 2
by Akash » Sun Oct 01, 2023 2:13 pm

Replies: 2
Views: 4177

Last post by Akash
Tue Oct 03, 2023 8:18 am
GW calculation terminating without any error

by Akash » Sun Sep 03, 2023 7:05 am
Last post by Akash » Tue Sep 26, 2023 6:26 am
Replies: 2
by Akash » Sun Sep 03, 2023 7:05 am

Replies: 2
Views: 3861

Last post by Akash
Tue Sep 26, 2023 6:26 am
PBE0 forYambo

by sdwang » Sun Sep 17, 2023 8:14 am
Last post by Daniele Varsano » Mon Sep 18, 2023 8:50 am
Replies: 1
by sdwang » Sun Sep 17, 2023 8:14 am

Replies: 1
Views: 3591

Last post by Daniele Varsano
Mon Sep 18, 2023 8:50 am
BSE, QP interpolation from a coarser grid

by ff10 » Sat Sep 09, 2023 4:19 pm
Last post by claudio » Fri Sep 15, 2023 11:35 am
Replies: 5
by ff10 » Sat Sep 09, 2023 4:19 pm

Replies: 5
Views: 5719

Last post by claudio
Fri Sep 15, 2023 11:35 am
BSE kernel

by dmachiri » Tue Sep 05, 2023 9:38 am
Last post by Daniele Varsano » Mon Sep 11, 2023 11:10 am
Replies: 2
by dmachiri » Tue Sep 05, 2023 9:38 am

Replies: 2
Views: 3801

Last post by Daniele Varsano
Mon Sep 11, 2023 11:10 am
negative real part of 2D macroscopic polarizability

by lldu » Mon Sep 04, 2023 10:18 am
Last post by Daniele Varsano » Mon Sep 11, 2023 11:05 am
Replies: 1
by lldu » Mon Sep 04, 2023 10:18 am

Replies: 1
Views: 3421

Last post by Daniele Varsano
Mon Sep 11, 2023 11:05 am

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