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units of total charge in OUTCAR

Last post by nwan « Wed Nov 12, 2014 1:18 pm
Replies: 1
by freshwind » Thu Oct 30, 2014 9:22 pm

1 Replies

4351 Views

Last post by nwan
Wed Nov 12, 2014 1:18 pm
Two subroutines to calculate Born Effective Charges

Last post by whzhang « Sat Oct 25, 2014 3:51 pm
Replies: 1
by whzhang » Sat Oct 18, 2014 5:13 pm

1 Replies

2394 Views

Last post by whzhang
Sat Oct 25, 2014 3:51 pm
"very serious problems the old and the new charge density d

Last post by admin « Thu Oct 09, 2014 12:18 pm
Replies: 1
by zahra » Wed Oct 08, 2014 5:28 pm

1 Replies

12088 Views

Last post by admin
Thu Oct 09, 2014 12:18 pm
Error in Medea Vasp

Last post by admin « Wed Oct 01, 2014 2:19 pm
Replies: 1
by metasoum » Mon Sep 22, 2014 3:42 pm

1 Replies

2753 Views

Last post by admin
Wed Oct 01, 2014 2:19 pm
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

3453 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

3101 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

2948 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

4380 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

3541 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

3632 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

4102 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

3151 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

2045 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

2707 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

3399 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

3010 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

3935 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

3530 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

6708 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

6569 Views

Last post by rpf
Fri May 23, 2014 10:59 am

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