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large system calculating problem

Last post by zjuiseexy « Mon Sep 29, 2014 10:02 am
Replies: 2
by zjuiseexy » Fri Sep 19, 2014 4:47 am

2 Replies

5097 Views

Last post by zjuiseexy
Mon Sep 29, 2014 10:02 am
Energy drift in MD with vdW functional

Last post by eariel99 « Wed Sep 24, 2014 12:58 pm
Replies: 1
by eariel99 » Tue Sep 23, 2014 11:09 pm

1 Replies

4512 Views

Last post by eariel99
Wed Sep 24, 2014 12:58 pm
Convergence error in graphene+hydrogen system

Last post by jestr « Tue Sep 16, 2014 4:11 pm
Replies: 1
by jestr » Thu Sep 11, 2014 6:01 pm

1 Replies

4334 Views

Last post by jestr
Tue Sep 16, 2014 4:11 pm
ZGHEV errors vs number of cores

Last post by admin « Tue Sep 09, 2014 11:48 am
Replies: 4
by t.ossowski » Fri Jun 20, 2014 9:57 pm

4 Replies

6708 Views

Last post by admin
Tue Sep 09, 2014 11:48 am
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

5470 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

5132 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

5745 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

4829 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

3454 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

4009 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

4974 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

4515 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

5365 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

5279 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

8065 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

9090 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

10012 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

3808 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

11648 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

5855 Views

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

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