Ground state

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Marking answers for solved issues

Last post by pouillon « Fri Aug 09, 2013 12:56 pm
Posted in Platform specific questions

by pouillon » Fri Aug 09, 2013 12:56 pm » in Platform specific questions
This topic was posted 2315 days ago

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Last post by pouillon
Fri Aug 09, 2013 12:56 pm

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Non-collinear magnetism

Last post by mverstra « Thu May 11, 2017 2:55 pm
Replies: 1
by nancynaguib » Thu Mar 23, 2017 7:00 am
This topic was posted 993 days ago

1 Replies

1036 Views

Last post by mverstra
Thu May 11, 2017 2:55 pm
charge density in k-space ?

Last post by mverstra « Tue May 09, 2017 11:29 pm
Replies: 1
by pipidog » Tue May 02, 2017 3:33 am
This topic was posted 954 days ago

1 Replies

862 Views

Last post by mverstra
Tue May 09, 2017 11:29 pm
Spectral function obtained within the DMFT

Last post by Steve « Fri Apr 28, 2017 5:37 pm
Replies: 2
by Steve » Thu Apr 27, 2017 5:00 pm
This topic was posted 958 days ago

2 Replies

899 Views

Last post by Steve
Fri Apr 28, 2017 5:37 pm
How to run ABINIT on multiple GPU cards

Last post by marco.digennaro « Wed Apr 26, 2017 1:56 pm
Replies: 4
by roshan » Wed Jan 07, 2015 8:54 am
This topic was posted 1799 days ago

4 Replies

2806 Views

Last post by marco.digennaro
Wed Apr 26, 2017 1:56 pm
Cu Ground State - far from datas. Error in input file ? [SOLVED]

Last post by jean-luc « Tue Apr 25, 2017 9:27 am
Replies: 3
by jean-luc » Wed Apr 19, 2017 6:33 pm
This topic was posted 966 days ago

3 Replies

1676 Views

Last post by jean-luc
Tue Apr 25, 2017 9:27 am
Planar averaged Hartree potential [SOLVED]

Last post by wxiaom86 « Wed Mar 15, 2017 8:38 pm
Replies: 4
by wxiaom86 » Tue Mar 07, 2017 3:00 am
This topic was posted 1010 days ago

4 Replies

1651 Views

Last post by wxiaom86
Wed Mar 15, 2017 8:38 pm
SCF cycle deteriorates during relaxation [SOLVED]

Last post by gabriel.antonius « Tue Feb 14, 2017 1:07 am
Replies: 4
by gabriel.antonius » Sun Feb 05, 2017 9:44 pm
This topic was posted 1039 days ago

4 Replies

2152 Views

Last post by gabriel.antonius
Tue Feb 14, 2017 1:07 am
Checking input parameters for consistency [SOLVED]

Last post by Holmes2499 « Mon Feb 06, 2017 7:19 am
Replies: 5
by umanzorme » Mon Nov 21, 2016 4:46 pm
This topic was posted 1115 days ago

5 Replies

4855 Views

Last post by Holmes2499
Mon Feb 06, 2017 7:19 am
meta-GGA via libxc in abinit

Last post by EBIsaacs « Fri Jan 27, 2017 5:09 pm
Replies: 12
by EBIsaacs » Wed Dec 07, 2016 9:44 pm
This topic was posted 1099 days ago

12 Replies

3847 Views

Last post by EBIsaacs
Fri Jan 27, 2017 5:09 pm
bug of state.F90 ? [SOLVED]

Last post by Jordan « Mon Jan 23, 2017 8:34 am
Replies: 1
by wxiaom86 » Sat Jan 14, 2017 4:17 pm
This topic was posted 1061 days ago

1 Replies

858 Views

Last post by Jordan
Mon Jan 23, 2017 8:34 am
values more than 264 columns

Last post by ebousquet « Sun Jan 22, 2017 3:54 pm
Replies: 1
by ucsdmavrl » Sun Jan 15, 2017 5:54 am
This topic was posted 1060 days ago

1 Replies

758 Views

Last post by ebousquet
Sun Jan 22, 2017 3:54 pm
confused about the parameter of "getden" [SOLVED]

Last post by ucsdmavrl « Fri Jan 13, 2017 5:46 pm
Replies: 2
by ucsdmavrl » Fri Jan 13, 2017 1:14 am
This topic was posted 1063 days ago

2 Replies

968 Views

Last post by ucsdmavrl
Fri Jan 13, 2017 5:46 pm
SCF convergence problem in vacancy defect modelling

Last post by ebousquet « Fri Jan 13, 2017 11:45 am
Replies: 4
by mmaeda » Thu Dec 08, 2016 12:26 pm
This topic was posted 1098 days ago

4 Replies

1274 Views

Last post by ebousquet
Fri Jan 13, 2017 11:45 am
sphereboundary.f90 error [SOLVED]

Last post by amirnasser « Fri Jan 13, 2017 8:29 am
Replies: 2
by amirnasser » Fri Dec 09, 2016 8:44 pm
This topic was posted 1097 days ago

2 Replies

883 Views

Last post by amirnasser
Fri Jan 13, 2017 8:29 am
ERROR message: | abi_xpotrf, info=7 [SOLVED]

Last post by Jordan « Fri Jan 06, 2017 9:51 am
Replies: 1
by ucsdmavrl » Sat Nov 26, 2016 3:05 am
This topic was posted 1111 days ago

1 Replies

1544 Views

Last post by Jordan
Fri Jan 06, 2017 9:51 am
HYbrid functional

Last post by marsusi « Thu Jan 05, 2017 10:46 am

by marsusi » Thu Jan 05, 2017 10:46 am
This topic was posted 1070 days ago

0 Replies

747 Views

Last post by marsusi
Thu Jan 05, 2017 10:46 am
SCF run in CDFT convergence

Last post by ebousquet « Thu Dec 15, 2016 7:39 pm
Replies: 1
by ramanujan » Mon Dec 12, 2016 3:32 am
This topic was posted 1095 days ago

1 Replies

671 Views

Last post by ebousquet
Thu Dec 15, 2016 7:39 pm
how to constrain magnetization in ABINIT? [SOLVED]

Last post by ebousquet « Wed Dec 14, 2016 11:11 pm
Replies: 2
by ucsdmavrl » Tue Dec 13, 2016 8:58 am
This topic was posted 1093 days ago

2 Replies

944 Views

Last post by ebousquet
Wed Dec 14, 2016 11:11 pm
Applying strain on a 2 D material [SOLVED]

Last post by manik « Thu Dec 01, 2016 12:27 pm
Replies: 2
by manik » Wed Nov 30, 2016 5:16 pm
This topic was posted 1106 days ago

2 Replies

985 Views

Last post by manik
Thu Dec 01, 2016 12:27 pm
parallel problem for AFM calculations

Last post by ebousquet « Wed Nov 16, 2016 12:02 pm
Replies: 1
by jed » Mon Nov 14, 2016 4:37 am
This topic was posted 1122 days ago

1 Replies

857 Views

Last post by ebousquet
Wed Nov 16, 2016 12:02 pm
How do calc magnetization of each orbital for atoms? [SOLVED]

Last post by ucsdmavrl « Tue Nov 15, 2016 7:54 pm
Replies: 2
by ucsdmavrl » Tue Nov 15, 2016 6:55 am
This topic was posted 1121 days ago

2 Replies

1068 Views

Last post by ucsdmavrl
Tue Nov 15, 2016 7:54 pm
Error: overflow of mcg integer for size of the full wf

Last post by delaveau « Mon Nov 14, 2016 12:46 pm
Replies: 1
by marchal » Thu Nov 10, 2016 5:28 pm
This topic was posted 1126 days ago

1 Replies

1065 Views

Last post by delaveau
Mon Nov 14, 2016 12:46 pm
DOS AND PDOS for PbTiO3

Last post by Jordan « Thu Oct 13, 2016 8:50 am
Replies: 1
by MANISH ANAND » Wed Oct 12, 2016 9:23 am
This topic was posted 1155 days ago

1 Replies

2522 Views

Last post by Jordan
Thu Oct 13, 2016 8:50 am
Problem with t41.file test

Last post by Naina « Tue Sep 27, 2016 1:29 pm
Replies: 4
by sdwang » Fri Sep 24, 2010 9:56 am
This topic was posted 3365 days ago

4 Replies

3357 Views

Last post by Naina
Tue Sep 27, 2016 1:29 pm
Problem with ScaLAPACK

Last post by sheng « Thu Sep 15, 2016 5:48 am

by sheng » Thu Sep 15, 2016 5:48 am
This topic was posted 1182 days ago

0 Replies

1090 Views

Last post by sheng
Thu Sep 15, 2016 5:48 am

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