Ground state

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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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xred coordinates: can i do simple math eg 0.44 + 1/3?

Last post by brehmj « Wed Oct 23, 2013 2:53 pm

by brehmj » Wed Oct 23, 2013 2:53 pm
This topic was posted 3986 days ago

0 Replies

1529 Views

Last post by brehmj
Wed Oct 23, 2013 2:53 pm
Atomization energy of O2 [SOLVED]

Last post by marcindulak « Fri Oct 11, 2013 12:47 pm
Replies: 8
by marcindulak » Fri Oct 07, 2011 3:45 pm
This topic was posted 4733 days ago

8 Replies

12284 Views

Last post by marcindulak
Fri Oct 11, 2013 12:47 pm
[SOLVED] large dilatmx makes code stop with sphereboundary

Last post by hisap-nano « Sat Oct 05, 2013 5:15 am
Replies: 4
by mverstra » Tue Jan 26, 2010 7:37 pm
This topic was posted 5351 days ago

4 Replies

4310 Views

Last post by hisap-nano
Sat Oct 05, 2013 5:15 am
GW correction

Last post by sunnyone « Fri Oct 04, 2013 7:49 pm
Replies: 2
by sunnyone » Wed Sep 25, 2013 10:05 am
This topic was posted 4014 days ago

2 Replies

2681 Views

Last post by sunnyone
Fri Oct 04, 2013 7:49 pm
calculation with moving atom

Last post by arsyik « Tue Sep 24, 2013 2:57 pm
Replies: 6
by arsyik » Wed Sep 18, 2013 1:31 pm
This topic was posted 4021 days ago

6 Replies

4458 Views

Last post by arsyik
Tue Sep 24, 2013 2:57 pm
Error in spin calculation.

Last post by ahmed « Fri Sep 06, 2013 10:44 pm

by ahmed » Fri Sep 06, 2013 10:44 pm
This topic was posted 4032 days ago

0 Replies

1506 Views

Last post by ahmed
Fri Sep 06, 2013 10:44 pm
Strange behavior in band parallelization by abinit-7.0.5

Last post by Boris « Fri Aug 30, 2013 9:25 pm
Replies: 3
by goodwill » Fri Mar 01, 2013 8:11 am
This topic was posted 4222 days ago

3 Replies

4354 Views

Last post by Boris
Fri Aug 30, 2013 9:25 pm
Ground State Calculation Down even Density is OUTPUT already

Last post by ljludwig « Fri Aug 30, 2013 12:53 am

by ljludwig » Fri Aug 30, 2013 12:53 am
This topic was posted 4040 days ago

0 Replies

2438 Views

Last post by ljludwig
Fri Aug 30, 2013 12:53 am
Geometry Builder

Last post by ljludwig « Tue Aug 27, 2013 6:02 pm

by ljludwig » Tue Aug 27, 2013 6:02 pm
This topic was posted 4042 days ago

0 Replies

1506 Views

Last post by ljludwig
Tue Aug 27, 2013 6:02 pm
getng.F90:431:BUG contact ABINIT group

Last post by Boris « Tue Aug 27, 2013 3:36 pm
Replies: 3
by tam » Fri Aug 23, 2013 7:24 pm
This topic was posted 4046 days ago

3 Replies

3397 Views

Last post by Boris
Tue Aug 27, 2013 3:36 pm
how to get bulk modulus by Birch-Murnaghan equation?

Last post by jzwanzig « Mon Aug 26, 2013 9:44 pm
Replies: 5
by lzl8181 » Sat Feb 12, 2011 3:13 am
This topic was posted 4970 days ago

5 Replies

6623 Views

Last post by jzwanzig
Mon Aug 26, 2013 9:44 pm
spin-orbit fails with PBE0

Last post by raul_l « Mon Aug 26, 2013 12:27 am

by raul_l » Mon Aug 26, 2013 12:27 am
This topic was posted 4044 days ago

0 Replies

1694 Views

Last post by raul_l
Mon Aug 26, 2013 12:27 am
Can Abinit handle SOC+magnetic system？

Last post by spin1/2 « Sun Aug 11, 2013 11:57 am
Replies: 1
by zjuer » Wed Aug 07, 2013 1:17 pm
This topic was posted 4063 days ago

1 Replies

2031 Views

Last post by spin1/2
Sun Aug 11, 2013 11:57 am
Problems with convergence of GaAs supercell

Last post by ChrisKue « Thu Aug 08, 2013 1:05 pm
Replies: 1
by ChrisKue » Tue Aug 06, 2013 6:35 pm
This topic was posted 4063 days ago

1 Replies

2631 Views

Last post by ChrisKue
Thu Aug 08, 2013 1:05 pm
total energy versus energy density

Last post by spin1/2 « Sun Aug 04, 2013 8:23 am
Replies: 1
by woates » Thu Aug 01, 2013 3:23 am
This topic was posted 4069 days ago

1 Replies

2218 Views

Last post by spin1/2
Sun Aug 04, 2013 8:23 am
position of doped atoms ,mixalch

Last post by cengiz « Sun Jul 28, 2013 1:00 am

by cengiz » Sun Jul 28, 2013 1:00 am
This topic was posted 4073 days ago

0 Replies

1583 Views

Last post by cengiz
Sun Jul 28, 2013 1:00 am
Energy preservation of molecular dynamics

Last post by tsukagoshi « Thu Jul 25, 2013 1:35 pm

by tsukagoshi » Thu Jul 25, 2013 1:35 pm
This topic was posted 4076 days ago

0 Replies

2956 Views

Last post by tsukagoshi
Thu Jul 25, 2013 1:35 pm
number of atoms in .cif file

Last post by marsusi « Sun Jul 21, 2013 8:32 am
Replies: 2
by marsusi » Sat Jul 13, 2013 10:06 am
This topic was posted 4088 days ago

2 Replies

2888 Views

Last post by marsusi
Sun Jul 21, 2013 8:32 am
explanation on band2eps file

Last post by suvas « Wed Jul 17, 2013 9:19 pm
Replies: 10
by BAMGBOSE, M. K. » Tue Aug 07, 2012 5:58 pm
This topic was posted 4428 days ago

10 Replies

7710 Views

Last post by suvas
Wed Jul 17, 2013 9:19 pm
<< neutral system interacting with an ion >>

Last post by hatuey « Fri Jul 12, 2013 9:45 pm

by hatuey » Fri Jul 12, 2013 9:45 pm
This topic was posted 4088 days ago

0 Replies

1510 Views

Last post by hatuey
Fri Jul 12, 2013 9:45 pm
SCF convergence problem when turning on SO

Last post by Boris « Fri Jul 12, 2013 8:47 am
Replies: 3
by nleconte » Thu Jul 04, 2013 4:15 pm
This topic was posted 4097 days ago

3 Replies

3733 Views

Last post by Boris
Fri Jul 12, 2013 8:47 am
Abinit 7.2.1 MPI Same input file different output file

Last post by torrent « Thu Jul 11, 2013 6:00 pm
Replies: 1
by ChrisKue » Thu Jul 11, 2013 5:13 pm
This topic was posted 4090 days ago

1 Replies

1845 Views

Last post by torrent
Thu Jul 11, 2013 6:00 pm
supercell and doping

Last post by BAMGBOSE, M. K. « Wed Jul 03, 2013 11:11 am
Replies: 39
by BAMGBOSE, M. K. » Tue Sep 11, 2012 9:16 am
1

2
This topic was posted 4393 days ago
39 Replies

35745 Views

Last post by BAMGBOSE, M. K.
Wed Jul 03, 2013 11:11 am
nstep

Last post by ebousquet « Mon Jul 01, 2013 1:01 pm
Replies: 1
by kengel » Thu Jun 27, 2013 9:54 pm
This topic was posted 4103 days ago

1 Replies

2004 Views

Last post by ebousquet
Mon Jul 01, 2013 1:01 pm
Failed runs of "conducti"

Last post by Serge « Wed Jun 19, 2013 10:41 am

by Serge » Wed Jun 19, 2013 10:41 am
This topic was posted 4112 days ago

0 Replies

1720 Views

Last post by Serge
Wed Jun 19, 2013 10:41 am

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