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interface with wannier90 + spin-orbit coupling

Last post by admin « Mon Jun 22, 2015 2:37 pm
Replies: 6
by cantele » Wed Apr 29, 2015 10:12 am

6 Replies

12843 Views

Last post by admin
Mon Jun 22, 2015 2:37 pm
ISTART=2 plane wave coefficients changed error

Last post by avdw « Fri Jun 19, 2015 3:22 pm
Replies: 7
by bernstei » Mon Oct 18, 2010 6:35 pm

7 Replies

11624 Views

Last post by avdw
Fri Jun 19, 2015 3:22 pm
D3 correction: VDW-parameter VDW_S8=0 not accepted

Last post by kelum « Tue Jun 16, 2015 6:53 pm
Replies: 1
by beck » Mon Jun 15, 2015 1:26 pm

1 Replies

4007 Views

Last post by kelum
Tue Jun 16, 2015 6:53 pm
forrtl: error (78): process killed (SIGTERM)

Last post by compu_nano « Tue May 19, 2015 8:14 am
Replies: 1
by compu_nano » Fri May 15, 2015 1:49 pm

1 Replies

8565 Views

Last post by compu_nano
Tue May 19, 2015 8:14 am
Running stops at "entering the main loop"

Last post by admin « Fri Apr 10, 2015 11:28 am
Replies: 1
by Mohsen » Fri Mar 20, 2015 9:40 pm

1 Replies

2935 Views

Last post by admin
Fri Apr 10, 2015 11:28 am
Ce diffusing in Na MD calculation, hard to converge

Last post by Neutrino « Fri Apr 03, 2015 4:18 pm
Replies: 1
by XiangLi » Fri Mar 27, 2015 3:07 am

1 Replies

2738 Views

Last post by Neutrino
Fri Apr 03, 2015 4:18 pm
B3LYP and parallelization problem/potential bug

Last post by admin « Wed Apr 01, 2015 10:10 am
Replies: 15
by andydihao » Tue Mar 24, 2015 1:45 pm
1

2
15 Replies

9581 Views

Last post by admin
Wed Apr 01, 2015 10:10 am
Exit Code 9

Last post by ajeyvenkat091 « Mon Mar 23, 2015 5:54 pm
Replies: 4
by ajeyvenkat091 » Thu Mar 12, 2015 1:01 am

4 Replies

7246 Views

Last post by ajeyvenkat091
Mon Mar 23, 2015 5:54 pm
compileation error of version 5.3.5

Last post by walker11 « Fri Mar 20, 2015 10:51 am
Replies: 1
by jjhskang » Fri Jul 04, 2014 4:34 am

1 Replies

3128 Views

Last post by walker11
Fri Mar 20, 2015 10:51 am
Bugreport: Output format field widths are not set properly

Last post by admin « Thu Mar 19, 2015 12:05 pm
Replies: 1
by tomic » Wed Mar 18, 2015 4:45 pm

1 Replies

2431 Views

Last post by admin
Thu Mar 19, 2015 12:05 pm
How do you write TMPCAR?

Last post by admin « Tue Feb 24, 2015 1:28 pm
Replies: 1
by aethomps » Mon Feb 23, 2015 11:36 pm

1 Replies

2459 Views

Last post by admin
Tue Feb 24, 2015 1:28 pm
very strange behavior in Tkatchenko and Scheffler VDW

Last post by admin « Thu Feb 19, 2015 11:51 am
Replies: 4
by vbellini » Fri Feb 13, 2015 10:22 am

4 Replies

3979 Views

Last post by admin
Thu Feb 19, 2015 11:51 am
LWANNIER90 issue with KPOINTS file

Last post by cantele « Wed Feb 18, 2015 10:27 am
Replies: 5
by cantele » Tue Feb 10, 2015 9:42 am

5 Replies

8018 Views

Last post by cantele
Wed Feb 18, 2015 10:27 am
Calculations do not start when defining TS VDW parameters

Last post by admin « Mon Feb 16, 2015 8:40 am
Replies: 1
by karthipitt » Wed Feb 11, 2015 8:39 pm

1 Replies

2765 Views

Last post by admin
Mon Feb 16, 2015 8:40 am
Problem in HSE run

Last post by psriv « Wed Jan 28, 2015 10:23 am
Replies: 2
by psriv » Tue Sep 02, 2014 5:25 am

2 Replies

3269 Views

Last post by psriv
Wed Jan 28, 2015 10:23 am
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

3816 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

3889 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

2621 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

9147 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

4003 Views

Last post by admin
Tue Dec 02, 2014 4:36 pm

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