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Marking answers for solved issues

Last post by pouillon « Fri Aug 09, 2013 12:56 pm
Posted in Configuring and compiling ABINIT

by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINIT
This topic was posted 4061 days ago

0 Replies

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

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Relaxation of atomic positions

Last post by Mukul.pu02 « Sat Nov 12, 2011 8:25 am
Replies: 2
by Mukul.pu02 » Thu Nov 10, 2011 2:31 pm
This topic was posted 4699 days ago

2 Replies

3270 Views

Last post by Mukul.pu02
Sat Nov 12, 2011 8:25 am
Integrated Dos

Last post by bahaar « Wed Nov 02, 2011 4:07 am
Replies: 7
by bahaar » Thu Oct 20, 2011 8:34 pm
This topic was posted 4719 days ago

7 Replies

5801 Views

Last post by bahaar
Wed Nov 02, 2011 4:07 am
DOS calculation of NiO using LDA (without PAW)

Last post by lamsalc « Tue Nov 01, 2011 10:32 pm
Replies: 2
by lamsalc » Fri Oct 21, 2011 5:21 pm
This topic was posted 4719 days ago

2 Replies

2695 Views

Last post by lamsalc
Tue Nov 01, 2011 10:32 pm
electric conductivity?

Last post by mina « Mon Oct 31, 2011 3:04 pm

by mina » Mon Oct 31, 2011 3:04 pm
This topic was posted 4709 days ago

0 Replies

1679 Views

Last post by mina
Mon Oct 31, 2011 3:04 pm
Face centered orthorhombic how to make input?

Last post by roginovicci « Mon Oct 31, 2011 11:22 am
Replies: 10
by roginovicci » Wed Oct 26, 2011 11:11 am
This topic was posted 4714 days ago

10 Replies

7310 Views

Last post by roginovicci
Mon Oct 31, 2011 11:22 am
otimization with symmetry constraint

Last post by zjuer « Sat Oct 29, 2011 4:13 am

by zjuer » Sat Oct 29, 2011 4:13 am
This topic was posted 4711 days ago

0 Replies

1593 Views

Last post by zjuer
Sat Oct 29, 2011 4:13 am
error: increase the input variable dilatmx

Last post by blackburn « Fri Oct 28, 2011 3:27 pm
Replies: 1
by Paul » Fri Oct 28, 2011 1:05 pm
This topic was posted 4712 days ago

1 Replies

1955 Views

Last post by blackburn
Fri Oct 28, 2011 3:27 pm
Which version of BigDFT for Abinit 6.8.2 ? [solved]

Last post by nandaloo « Thu Oct 27, 2011 4:00 am
Replies: 2
by nandaloo » Mon Oct 17, 2011 7:53 am
This topic was posted 4723 days ago

2 Replies

2280 Views

Last post by nandaloo
Thu Oct 27, 2011 4:00 am
Maintaining a designated space group for a relaxation

Last post by brehmj « Wed Oct 26, 2011 6:43 pm
Replies: 2
by brehmj » Wed Oct 26, 2011 5:21 pm
This topic was posted 4714 days ago

2 Replies

2386 Views

Last post by brehmj
Wed Oct 26, 2011 6:43 pm
ERROR:check the correspondence b/w natom+vacnum on one side

Last post by jolafc « Sun Oct 16, 2011 10:03 pm
Replies: 1
by Mukul.pu02 » Mon Sep 26, 2011 10:59 am
This topic was posted 4744 days ago

1 Replies

2616 Views

Last post by jolafc
Sun Oct 16, 2011 10:03 pm
tsmear question - convergence

Last post by kello « Sat Oct 15, 2011 11:02 pm
Replies: 2
by kello » Fri Oct 14, 2011 10:53 pm
This topic was posted 4725 days ago

2 Replies

3268 Views

Last post by kello
Sat Oct 15, 2011 11:02 pm
[abinit-forum] band structure calculation for graphene

Last post by khaled06 « Fri Oct 14, 2011 12:37 pm
Replies: 2
by jiangx3 » Thu May 27, 2010 8:03 pm
This topic was posted 5230 days ago

2 Replies

3789 Views

Last post by khaled06
Fri Oct 14, 2011 12:37 pm
band structure of Graphene nanoribbon

Last post by jolafc « Thu Oct 13, 2011 6:52 pm
Replies: 1
by cherrywbtc » Tue Sep 27, 2011 9:54 pm
This topic was posted 4742 days ago

1 Replies

2249 Views

Last post by jolafc
Thu Oct 13, 2011 6:52 pm
a general question a bout relation between pseudopotential a

Last post by bahaar « Wed Oct 12, 2011 4:33 pm
Replies: 8
by bahaar » Mon Apr 25, 2011 10:57 pm
This topic was posted 4897 days ago

8 Replies

6339 Views

Last post by bahaar
Wed Oct 12, 2011 4:33 pm
Some basic questions about the input variblle Xred

Last post by david.waroquiers « Mon Oct 10, 2011 12:46 pm
Replies: 4
by Zhang Xiaole » Fri Sep 23, 2011 9:50 am
This topic was posted 4747 days ago

4 Replies

3919 Views

Last post by david.waroquiers
Mon Oct 10, 2011 12:46 pm
berryphase_new:BUG?

Last post by mina « Sun Oct 09, 2011 8:24 am

by mina » Sun Oct 09, 2011 8:24 am
This topic was posted 4731 days ago

0 Replies

1369 Views

Last post by mina
Sun Oct 09, 2011 8:24 am
Determination of U in DFT+U: possible bug?

Last post by maurosgroi « Fri Oct 07, 2011 11:46 pm
Replies: 2
by maurosgroi » Fri Oct 07, 2011 11:18 pm
This topic was posted 4732 days ago

2 Replies

2719 Views

Last post by maurosgroi
Fri Oct 07, 2011 11:46 pm
Erro in finite electric calculation?

Last post by jzwanzig « Fri Oct 07, 2011 3:45 pm
Replies: 1
by mina » Thu Oct 06, 2011 10:11 pm
This topic was posted 4733 days ago

1 Replies

1543 Views

Last post by jzwanzig
Fri Oct 07, 2011 3:45 pm
Abinit 6.8.2 elphon5 case fails

Last post by nandaloo « Fri Oct 07, 2011 8:37 am

by nandaloo » Fri Oct 07, 2011 8:37 am
This topic was posted 4733 days ago

0 Replies

1438 Views

Last post by nandaloo
Fri Oct 07, 2011 8:37 am
The total energy

Last post by ilukacevic « Fri Oct 07, 2011 7:36 am
Replies: 1
by raff » Thu Oct 06, 2011 4:00 pm
This topic was posted 4734 days ago

1 Replies

2314 Views

Last post by ilukacevic
Fri Oct 07, 2011 7:36 am
Positron calculation - negative density?

Last post by mleitner « Thu Oct 06, 2011 5:14 pm

by mleitner » Thu Oct 06, 2011 5:14 pm
This topic was posted 4734 days ago

0 Replies

1773 Views

Last post by mleitner
Thu Oct 06, 2011 5:14 pm
Born effective charge?

Last post by Anwar « Tue Oct 04, 2011 8:41 pm
Replies: 1
by mina » Sat Sep 24, 2011 1:58 pm
This topic was posted 4746 days ago

1 Replies

2107 Views

Last post by Anwar
Tue Oct 04, 2011 8:41 pm
DOS calculation in PAW+U antiferromanetic case

Last post by hanju « Sat Oct 01, 2011 2:09 pm

by hanju » Sat Oct 01, 2011 2:09 pm
This topic was posted 4739 days ago

0 Replies

2032 Views

Last post by hanju
Sat Oct 01, 2011 2:09 pm
some problems about tutorial #4

Last post by Paul « Tue Sep 27, 2011 10:39 am
Replies: 2
by Paul » Wed Sep 21, 2011 2:22 pm
This topic was posted 4749 days ago

2 Replies

2113 Views

Last post by Paul
Tue Sep 27, 2011 10:39 am
ERROR:fillcell: the number of atoms

Last post by mina « Tue Sep 27, 2011 7:14 am

by mina » Tue Sep 27, 2011 7:14 am
This topic was posted 4743 days ago

0 Replies

1414 Views

Last post by mina
Tue Sep 27, 2011 7:14 am

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