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scGW stuck after couple of iterations

Last post by xiaoqiugood « Wed Aug 27, 2014 1:18 pm
Replies: 3
by fme3535 » Fri May 23, 2014 6:05 pm

3 Replies

3479 Views

Last post by xiaoqiugood
Wed Aug 27, 2014 1:18 pm
Error reading from INCAR in an NEB job

Last post by admin « Fri Aug 22, 2014 9:47 am
Replies: 1
by Ghorbanpour » Fri Aug 22, 2014 1:21 am

1 Replies

3579 Views

Last post by admin
Fri Aug 22, 2014 9:47 am
NEB: Force optimizers problem

Last post by admin « Tue Aug 12, 2014 11:44 am
Replies: 1
by mishralu » Mon Aug 11, 2014 3:09 pm

1 Replies

4030 Views

Last post by admin
Tue Aug 12, 2014 11:44 am
Positions do not update after one step

Last post by huberl « Tue Aug 05, 2014 9:28 pm
Replies: 2
by huberl » Wed May 14, 2014 9:32 am

2 Replies

3098 Views

Last post by huberl
Tue Aug 05, 2014 9:28 pm
Calculation of a reciprocal quantity form its real counterpart

Last post by admin « Tue Aug 05, 2014 3:22 pm

by admin » Tue Aug 05, 2014 3:22 pm

0 Replies

2021 Views

Last post by admin
Tue Aug 05, 2014 3:22 pm
Factor "30" to integrated DOS

Last post by admin « Fri Aug 01, 2014 7:55 am
Replies: 1
by bioggg » Wed May 28, 2014 9:14 pm

1 Replies

2666 Views

Last post by admin
Fri Aug 01, 2014 7:55 am
doubling memory requirements near the end of a computation

Last post by bert_tijskens « Fri Jul 25, 2014 6:48 am
Replies: 2
by bert_tijskens » Wed Jul 23, 2014 7:12 am

2 Replies

3351 Views

Last post by bert_tijskens
Fri Jul 25, 2014 6:48 am
Single Step Calculation Failure, no error output

Last post by Lithium « Thu Jul 10, 2014 5:58 pm
Replies: 1
by Lithium » Wed Jul 09, 2014 4:42 pm

1 Replies

2931 Views

Last post by Lithium
Thu Jul 10, 2014 5:58 pm
CORE_WAVE_FKT Error with Tkatchenko-Scheffler vdW Method

Last post by reza « Wed Jul 02, 2014 7:51 am
Replies: 1
by samchill » Thu Jan 30, 2014 5:33 pm

1 Replies

3886 Views

Last post by reza
Wed Jul 02, 2014 7:51 am
GW including spin orbit coupling?

Last post by phcl « Tue Jun 17, 2014 11:52 am
Replies: 2
by phcl » Mon Jun 16, 2014 8:21 am

2 Replies

3466 Views

Last post by phcl
Tue Jun 17, 2014 11:52 am
internal ERROR RSPHER: during MD run (Fatal Error)

Last post by paulfons « Fri Jun 06, 2014 7:54 am
Replies: 1
by paulfons » Wed Jun 04, 2014 11:41 pm

1 Replies

6245 Views

Last post by paulfons
Fri Jun 06, 2014 7:54 am
PROCAR with Spin-Orbit

Last post by rpf « Fri May 23, 2014 10:59 am
Replies: 4
by wbutler » Mon Feb 06, 2006 3:58 am

4 Replies

6429 Views

Last post by rpf
Fri May 23, 2014 10:59 am
errors wih partial DOS - internal ERROR RSPHER:running out of buffer 0 0 18 1 0

Last post by giacomo giorgi « Mon May 19, 2014 7:52 am
Replies: 2
by anurag » Fri Aug 01, 2008 6:21 pm

2 Replies

7960 Views

Last post by giacomo giorgi
Mon May 19, 2014 7:52 am
Hybrid Density of States values are very small

Last post by admin « Tue May 13, 2014 2:05 pm
Replies: 1
by Iwilliamson » Mon May 12, 2014 10:36 pm

1 Replies

2498 Views

Last post by admin
Tue May 13, 2014 2:05 pm
MPI Crash running QMD calculation in gamma point only configuration

Last post by cchang « Thu May 01, 2014 7:04 pm
Replies: 7
by paulfons » Tue May 14, 2013 3:51 am

7 Replies

7899 Views

Last post by cchang
Thu May 01, 2014 7:04 pm
Bug in MD run of VASP5.3

Last post by cchang « Thu May 01, 2014 6:59 pm
Replies: 2
by ppphysics » Tue Jan 28, 2014 7:43 am

2 Replies

4178 Views

Last post by cchang
Thu May 01, 2014 6:59 pm
A strange output

Last post by admin « Mon Apr 28, 2014 11:21 am
Replies: 1
by farzaneh » Wed Apr 16, 2014 11:30 am

1 Replies

5859 Views

Last post by admin
Mon Apr 28, 2014 11:21 am
GW0 band gap results different between 5.3.3 and earlier versions

Last post by huangj3 « Fri Apr 25, 2014 5:19 pm
Replies: 3
by huangj3 » Thu Feb 21, 2013 12:15 am

3 Replies

3498 Views

Last post by huangj3
Fri Apr 25, 2014 5:19 pm
Fermi level is 0.5 eV difference in SC and non-SC calculations

Last post by admin « Thu Apr 24, 2014 3:37 pm
Replies: 1
by bioggg » Mon Apr 21, 2014 6:36 pm

1 Replies

2707 Views

Last post by admin
Thu Apr 24, 2014 3:37 pm
Strange Memory Usage Problem

Last post by admin « Tue Apr 22, 2014 8:38 am
Replies: 1
by paulfons » Tue Apr 15, 2014 1:21 am

1 Replies

5114 Views

Last post by admin
Tue Apr 22, 2014 8:38 am

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