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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

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

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input file

Last post by mina « Sun Dec 09, 2012 2:32 pm

by mina » Sun Dec 09, 2012 2:32 pm
This topic was posted 4304 days ago

0 Replies

1327 Views

Last post by mina
Sun Dec 09, 2012 2:32 pm
Band structure of magnetic metal systems

Last post by blackburn « Fri Dec 07, 2012 2:18 pm
Replies: 1
by azriel » Wed Dec 05, 2012 10:13 am
This topic was posted 4308 days ago

1 Replies

2508 Views

Last post by blackburn
Fri Dec 07, 2012 2:18 pm
Random atomic positions in crystal lattice

Last post by Yesheng « Thu Dec 06, 2012 12:05 am
Replies: 2
by Yesheng » Thu Nov 29, 2012 11:40 pm
This topic was posted 4313 days ago

2 Replies

3127 Views

Last post by Yesheng
Thu Dec 06, 2012 12:05 am
finit electric field calculation, polarization

Last post by maomao « Tue Dec 04, 2012 6:08 pm

by maomao » Tue Dec 04, 2012 6:08 pm
This topic was posted 4308 days ago

0 Replies

1660 Views

Last post by maomao
Tue Dec 04, 2012 6:08 pm
help to define polarization direction

Last post by sittichain « Tue Nov 27, 2012 1:26 pm

by sittichain » Tue Nov 27, 2012 1:26 pm
This topic was posted 4316 days ago

0 Replies

1368 Views

Last post by sittichain
Tue Nov 27, 2012 1:26 pm
need pseudopotentials for Mn Co and Fe

Last post by babalola « Tue Nov 27, 2012 11:42 am

by babalola » Tue Nov 27, 2012 11:42 am
This topic was posted 4316 days ago

0 Replies

1436 Views

Last post by babalola
Tue Nov 27, 2012 11:42 am
Calculation of ground state with GPU

Last post by VasiaS « Sun Nov 25, 2012 5:51 pm
Replies: 3
by OlivierM » Thu Aug 02, 2012 9:11 pm
This topic was posted 4432 days ago

3 Replies

5006 Views

Last post by VasiaS
Sun Nov 25, 2012 5:51 pm
Spin Polarized Calculation

Last post by Yesheng « Sat Nov 24, 2012 1:29 am

by Yesheng » Sat Nov 24, 2012 1:29 am
This topic was posted 4319 days ago

0 Replies

1716 Views

Last post by Yesheng
Sat Nov 24, 2012 1:29 am
BigDFT

Last post by folya « Thu Nov 22, 2012 7:52 am

by folya » Thu Nov 22, 2012 7:52 am
This topic was posted 4321 days ago

0 Replies

1495 Views

Last post by folya
Thu Nov 22, 2012 7:52 am
Spin components in k-space

Last post by herman « Tue Nov 20, 2012 3:20 pm

by herman » Tue Nov 20, 2012 3:20 pm
This topic was posted 4323 days ago

0 Replies

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Last post by herman
Tue Nov 20, 2012 3:20 pm
trouble with openmpi+(icc+ifort) when using paral_kgb

Last post by ppy « Fri Nov 09, 2012 2:54 pm
Replies: 4
by ppy » Fri Oct 26, 2012 2:58 pm
This topic was posted 4348 days ago

4 Replies

4098 Views

Last post by ppy
Fri Nov 09, 2012 2:54 pm
Cartesian forces of TiO2 surface cannot converge

Last post by andreichibisov « Fri Nov 09, 2012 1:49 pm

by andreichibisov » Fri Nov 09, 2012 1:49 pm
This topic was posted 4334 days ago

0 Replies

2004 Views

Last post by andreichibisov
Fri Nov 09, 2012 1:49 pm
bug? ndtset 20 works as it were ndtset 10

Last post by david.waroquiers « Wed Oct 31, 2012 4:12 pm
Replies: 1
by lumbrius » Mon Oct 29, 2012 11:01 am
This topic was posted 4345 days ago

1 Replies

2144 Views

Last post by david.waroquiers
Wed Oct 31, 2012 4:12 pm
Problem with rprim vectors and how they are input

Last post by riemann « Sat Oct 27, 2012 10:31 pm
Replies: 2
by TPFleming » Fri Sep 28, 2012 1:11 am
This topic was posted 4376 days ago

2 Replies

2912 Views

Last post by riemann
Sat Oct 27, 2012 10:31 pm
How calculate spin-orbit coupling parameter ab-initio?

Last post by CarmineAutieri « Sat Oct 27, 2012 1:16 pm

by CarmineAutieri » Sat Oct 27, 2012 1:16 pm
This topic was posted 4347 days ago

0 Replies

2034 Views

Last post by CarmineAutieri
Sat Oct 27, 2012 1:16 pm
what is unit cell parameter for wurtzite ZnO

Last post by cengiz « Fri Oct 26, 2012 11:42 pm
Replies: 2
by cengiz » Thu Oct 25, 2012 1:09 am
This topic was posted 4349 days ago

2 Replies

3062 Views

Last post by cengiz
Fri Oct 26, 2012 11:42 pm
question

Last post by cengiz « Fri Oct 26, 2012 10:45 am
Replies: 2
by ahmad » Mon Aug 06, 2012 10:32 am
This topic was posted 4429 days ago

2 Replies

2555 Views

Last post by cengiz
Fri Oct 26, 2012 10:45 am
Specify range with multiple data sets

Last post by kengel « Tue Oct 23, 2012 10:19 pm

by kengel » Tue Oct 23, 2012 10:19 pm
This topic was posted 4350 days ago

0 Replies

1645 Views

Last post by kengel
Tue Oct 23, 2012 10:19 pm
partial dos print error

Last post by dima « Wed Oct 17, 2012 2:18 pm
Replies: 1
by bjeon » Thu Aug 18, 2011 8:42 pm
This topic was posted 4782 days ago

1 Replies

2713 Views

Last post by dima
Wed Oct 17, 2012 2:18 pm
mpiio segfault band/k-point/FFT parallelization

Last post by delaveau « Fri Oct 05, 2012 2:58 pm
Replies: 10
by anurag » Mon May 31, 2010 6:02 am
This topic was posted 5227 days ago

10 Replies

9037 Views

Last post by delaveau
Fri Oct 05, 2012 2:58 pm
anion displacement

Last post by malika83 « Sun Sep 30, 2012 5:43 pm
Replies: 2
by malika83 » Tue Sep 25, 2012 1:49 pm
This topic was posted 4379 days ago

2 Replies

2531 Views

Last post by malika83
Sun Sep 30, 2012 5:43 pm
how to calculate surface band structure

Last post by kaneod « Fri Sep 28, 2012 7:18 am
Replies: 3
by sevket simsek » Tue Sep 25, 2012 4:36 pm
This topic was posted 4379 days ago

3 Replies

5179 Views

Last post by kaneod
Fri Sep 28, 2012 7:18 am
Relaxation in case of Spin Orbit Coupling

Last post by maryamsajedi « Sun Sep 23, 2012 7:28 am
Replies: 6
by jh502125 » Mon Nov 14, 2011 11:59 pm
This topic was posted 4694 days ago

6 Replies

5523 Views

Last post by maryamsajedi
Sun Sep 23, 2012 7:28 am
magnetization of cobalt

Last post by dr_sferrari « Thu Sep 20, 2012 5:10 pm
Replies: 1
by mina » Sat Nov 27, 2010 2:44 pm
This topic was posted 5047 days ago

1 Replies

2035 Views

Last post by dr_sferrari
Thu Sep 20, 2012 5:10 pm
is there any way to turn off writing of wavefunction file?

Last post by jzwanzig « Thu Sep 20, 2012 2:47 pm
Replies: 1
by brehmj » Wed Sep 19, 2012 7:37 pm
This topic was posted 4384 days ago

1 Replies

2057 Views

Last post by jzwanzig
Thu Sep 20, 2012 2:47 pm

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