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

by andrea marini » Wed Apr 08, 2009 9:05 am
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GW band gap same with PBE

by burkzdemir » Sat May 25, 2019 11:35 am
Last post by Daniele Varsano » Mon May 27, 2019 1:24 pm
Replies: 10
by burkzdemir » Sat May 25, 2019 11:35 am
1

2
Replies: 10
Views: 6343

Last post by Daniele Varsano
Mon May 27, 2019 1:24 pm
negative self-energy

by Weiqing Zhou » Mon May 20, 2019 1:58 pm
Last post by andrea.ferretti » Thu May 23, 2019 10:10 am
Replies: 5
by Weiqing Zhou » Mon May 20, 2019 1:58 pm

Replies: 5
Views: 3386

Last post by andrea.ferretti
Thu May 23, 2019 10:10 am
temperature in GW calculation

by Weiqing Zhou » Mon Oct 15, 2018 2:57 am
Last post by Daniele Varsano » Mon Apr 08, 2019 10:46 am
Replies: 7
by Weiqing Zhou » Mon Oct 15, 2018 2:57 am

Replies: 7
Views: 5145

Last post by Daniele Varsano
Mon Apr 08, 2019 10:46 am
GDamping and DmRngeXd

by Weiqing Zhou » Thu Apr 04, 2019 10:05 am
Last post by Daniele Varsano » Thu Apr 04, 2019 1:11 pm
Replies: 1
by Weiqing Zhou » Thu Apr 04, 2019 10:05 am

Replies: 1
Views: 1783

Last post by Daniele Varsano
Thu Apr 04, 2019 1:11 pm
quasiparticle lifetime

by Weiqing Zhou » Thu Nov 08, 2018 4:46 am
Last post by Daniele Varsano » Mon Jan 21, 2019 10:02 am
Replies: 7
by Weiqing Zhou » Thu Nov 08, 2018 4:46 am

Replies: 7
Views: 4459

Last post by Daniele Varsano
Mon Jan 21, 2019 10:02 am
Some query in updated yambo 4.3.0

by sitangshu » Thu Jan 17, 2019 1:45 pm
Last post by Davide Sangalli » Fri Jan 18, 2019 5:11 pm
Replies: 5
by sitangshu » Thu Jan 17, 2019 1:45 pm

Replies: 5
Views: 3392

Last post by Davide Sangalli
Fri Jan 18, 2019 5:11 pm
[ERROR] [Atoms] incomplete mapping found.

by sdwang » Mon Oct 29, 2018 4:07 pm
Last post by xianzhong » Sat Jan 05, 2019 1:06 pm
Replies: 3
by sdwang » Mon Oct 29, 2018 4:07 pm

Replies: 3
Views: 2707

Last post by xianzhong
Sat Jan 05, 2019 1:06 pm
gap's problem

by fatimazahra » Mon Jun 15, 2015 11:13 am
Last post by Daniele Varsano » Thu Nov 15, 2018 10:15 am
Replies: 11
by fatimazahra » Mon Jun 15, 2015 11:13 am
1

2
Replies: 11
Views: 10862

Last post by Daniele Varsano
Thu Nov 15, 2018 10:15 am
green function energy range GEnRnge

by Weiqing Zhou » Wed Oct 24, 2018 4:45 am
Last post by Daniele Varsano » Wed Oct 24, 2018 9:33 am
Replies: 1
by Weiqing Zhou » Wed Oct 24, 2018 4:45 am

Replies: 1
Views: 1929

Last post by Daniele Varsano
Wed Oct 24, 2018 9:33 am
gw calculation on 0D sysmem

by ljzhou86 » Sun Sep 23, 2018 11:31 am
Last post by Daniele Varsano » Thu Oct 18, 2018 9:32 am
Replies: 5
by ljzhou86 » Sun Sep 23, 2018 11:31 am

Replies: 5
Views: 3357

Last post by Daniele Varsano
Thu Oct 18, 2018 9:32 am
the imaginary part of Green function along chosen k-path

by Weiqing Zhou » Mon Oct 15, 2018 3:31 am
Last post by Daniele Varsano » Mon Oct 15, 2018 8:02 am
Replies: 1
by Weiqing Zhou » Mon Oct 15, 2018 3:31 am

Replies: 1
Views: 1884

Last post by Daniele Varsano
Mon Oct 15, 2018 8:02 am
Burstein Moss Shift using MBPT

by sitangshu » Tue Sep 18, 2018 2:25 pm
Last post by sitangshu » Thu Sep 20, 2018 3:05 am
Replies: 2
by sitangshu » Tue Sep 18, 2018 2:25 pm

Replies: 2
Views: 2224

Last post by sitangshu
Thu Sep 20, 2018 3:05 am
Segm fault when running HF_corrections for Si.

by plasmon » Thu Aug 23, 2018 9:47 am
Last post by Daniele Varsano » Fri Aug 24, 2018 9:27 am
Replies: 1
by plasmon » Thu Aug 23, 2018 9:47 am

Replies: 1
Views: 2004

Last post by Daniele Varsano
Fri Aug 24, 2018 9:27 am
Box (Z) truncation question

by Fabiof » Wed May 23, 2018 4:35 pm
Last post by Fabiof » Sat May 26, 2018 5:14 pm
Replies: 6
by Fabiof » Wed May 23, 2018 4:35 pm

Replies: 6
Views: 4059

Last post by Fabiof
Sat May 26, 2018 5:14 pm
The XTermKind function

by sdwang » Sun May 13, 2018 11:39 am
Last post by Daniele Varsano » Mon May 14, 2018 9:05 am
Replies: 1
by sdwang » Sun May 13, 2018 11:39 am

Replies: 1
Views: 1999

Last post by Daniele Varsano
Mon May 14, 2018 9:05 am
Coulomb cut-off QE+yambo

by sitangshu » Fri Apr 13, 2018 6:11 am
Last post by Daniele Varsano » Fri Apr 13, 2018 9:01 am
Replies: 1
by sitangshu » Fri Apr 13, 2018 6:11 am

Replies: 1
Views: 1890

Last post by Daniele Varsano
Fri Apr 13, 2018 9:01 am
Allocation attempt of ... of zero size

by dagosta » Thu Apr 12, 2018 9:57 am
Last post by dagosta » Thu Apr 12, 2018 1:13 pm
Replies: 4
by dagosta » Thu Apr 12, 2018 9:57 am

Replies: 4
Views: 3076

Last post by dagosta
Thu Apr 12, 2018 1:13 pm
How to obtain the imaginary part of self energy?

by sdwang » Wed Feb 10, 2016 4:46 am
Last post by Daniele Varsano » Mon Apr 09, 2018 6:06 pm
Replies: 5
by sdwang » Wed Feb 10, 2016 4:46 am

Replies: 5
Views: 6740

Last post by Daniele Varsano
Mon Apr 09, 2018 6:06 pm
G0W0 @ HSE

by mferri » Thu Mar 22, 2018 4:24 pm
Last post by Davide Sangalli » Fri Mar 30, 2018 5:32 pm
Replies: 4
by mferri » Thu Mar 22, 2018 4:24 pm

Replies: 4
Views: 3973

Last post by Davide Sangalli
Fri Mar 30, 2018 5:32 pm
gw change the k-point of VBM in 2D semiconductor

by ljzhou86 » Fri Feb 09, 2018 12:57 am
Last post by Daniele Varsano » Fri Feb 09, 2018 10:10 pm
Replies: 3
by ljzhou86 » Fri Feb 09, 2018 12:57 am

Replies: 3
Views: 3031

Last post by Daniele Varsano
Fri Feb 09, 2018 10:10 pm
strange gw+bse results on two-layered 2D materials

by ljzhou86 » Sun Dec 10, 2017 7:50 am
Last post by Daniele Varsano » Mon Dec 11, 2017 9:39 am
Replies: 2
by ljzhou86 » Sun Dec 10, 2017 7:50 am

Replies: 2
Views: 3117

Last post by Daniele Varsano
Mon Dec 11, 2017 9:39 am
Can't add the external corrections with soc effect

by Tianshu » Mon Nov 20, 2017 1:09 pm
Last post by Davide Sangalli » Fri Dec 01, 2017 9:39 am
Replies: 6
by Tianshu » Mon Nov 20, 2017 1:09 pm

Replies: 6
Views: 4945

Last post by Davide Sangalli
Fri Dec 01, 2017 9:39 am
the convergence problem between k-point and BLongDir (111)

by baran1386 » Tue Aug 01, 2017 9:11 am
Last post by myrta gruning » Thu Aug 10, 2017 9:25 am
Replies: 3
by baran1386 » Tue Aug 01, 2017 9:11 am

Replies: 3
Views: 4732

Last post by myrta gruning
Thu Aug 10, 2017 9:25 am
A calculation stops at the final stage in G0W0 PPA.

by emerarud » Mon May 22, 2017 4:30 am
Last post by emerarud » Wed May 31, 2017 11:51 am
Replies: 2
by emerarud » Mon May 22, 2017 4:30 am

Replies: 2
Views: 3016

Last post by emerarud
Wed May 31, 2017 11:51 am
GW band structure exciton binding energy

by damao4361556 » Thu Dec 17, 2015 1:00 am
Last post by Daniele Varsano » Sat May 27, 2017 7:57 am
Replies: 9
by damao4361556 » Thu Dec 17, 2015 1:00 am

Replies: 9
Views: 19980

Last post by Daniele Varsano
Sat May 27, 2017 7:57 am

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