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Error on DFT+U for LiCoO2 system

Last post by ashkan_mc « Sat Jan 17, 2015 11:45 am
Replies: 2
by ashkan_mc » Thu Jan 15, 2015 12:44 pm

2 Replies

6454 Views

Last post by ashkan_mc
Sat Jan 17, 2015 11:45 am
PBE + U

Last post by admin « Thu Dec 18, 2014 1:04 pm
Replies: 1
by MCV » Wed Dec 17, 2014 7:54 pm

1 Replies

5844 Views

Last post by admin
Thu Dec 18, 2014 1:04 pm
writing selfenergy in SCGW

Last post by admin « Mon Dec 15, 2014 3:09 pm
Replies: 1
by feihoon » Sun Dec 14, 2014 4:35 pm

1 Replies

4704 Views

Last post by admin
Mon Dec 15, 2014 3:09 pm
RAMAN spectroscopy in VASP

Last post by alex « Mon Dec 15, 2014 12:21 pm
Replies: 2
by sislam » Mon Nov 10, 2014 1:15 am

2 Replies

12531 Views

Last post by alex
Mon Dec 15, 2014 12:21 pm
Problems with localized f-electrons

Last post by admin « Tue Dec 02, 2014 4:36 pm
Replies: 4
by marsoner » Fri May 30, 2014 3:18 am

4 Replies

7276 Views

Last post by admin
Tue Dec 02, 2014 4:36 pm
Is there a limit for the number of cores which can run with NPAR = No. cores?

Last post by zzhlax « Tue Dec 02, 2014 5:28 am
Replies: 3
by hipertrofia » Mon Apr 28, 2014 7:25 pm

3 Replies

6153 Views

Last post by zzhlax
Tue Dec 02, 2014 5:28 am
internal ERROR: LINEAR_RESPONSE_DIIS matrix is zero, try to

Last post by maartendft « Sat Nov 29, 2014 8:04 pm
Replies: 2
by maartendft » Thu Nov 27, 2014 1:20 am

2 Replies

6941 Views

Last post by maartendft
Sat Nov 29, 2014 8:04 pm
convergence of chemical shift calculus

Last post by admin « Wed Nov 26, 2014 2:45 pm
Replies: 1
by Francois Vivet » Wed Nov 12, 2014 7:38 pm

1 Replies

4989 Views

Last post by admin
Wed Nov 26, 2014 2:45 pm
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

7787 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

4155 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

13805 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

4766 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

5683 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

5006 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

4876 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

7385 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

6049 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

5667 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

6430 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

5443 Views

Last post by huberl
Tue Aug 05, 2014 9:28 pm

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