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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 4060 days ago

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

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MIXing coefficients for ALCHemical potentials [SOLVED]

Last post by new_986 « Tue Feb 25, 2020 9:19 am
Replies: 8
by new_986 » Tue Feb 18, 2020 9:17 am
This topic was posted 1676 days ago

8 Replies

7733 Views

Last post by new_986
Tue Feb 25, 2020 9:19 am
Input file for optimization

Last post by ebousquet « Sun Feb 09, 2020 12:18 am
Replies: 1
by hameed1987 » Tue Jan 28, 2020 7:15 am
This topic was posted 1697 days ago

1 Replies

2458 Views

Last post by ebousquet
Sun Feb 09, 2020 12:18 am
WARNING and COMMENT

Last post by NPike « Fri Feb 07, 2020 6:38 pm
Replies: 1
by hameed1987 » Tue Feb 04, 2020 9:54 pm
This topic was posted 1690 days ago

1 Replies

2365 Views

Last post by NPike
Fri Feb 07, 2020 6:38 pm
input variable for Spin

Last post by andyamygto « Fri Jan 31, 2020 4:00 pm
Replies: 1
by hameed1987 » Thu Jan 30, 2020 7:53 pm
This topic was posted 1695 days ago

1 Replies

2369 Views

Last post by andyamygto
Fri Jan 31, 2020 4:00 pm
structural optimization for monolayer In2Se3

Last post by suman « Thu Jan 30, 2020 4:25 pm

by suman » Thu Jan 30, 2020 4:25 pm
This topic was posted 1695 days ago

0 Replies

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Last post by suman
Thu Jan 30, 2020 4:25 pm
Input file to compute band structures of ternary compound

Last post by hameed1987 « Mon Jan 27, 2020 6:36 pm
Replies: 2
by hameed1987 » Sat Jan 25, 2020 7:31 am
This topic was posted 1700 days ago

2 Replies

2855 Views

Last post by hameed1987
Mon Jan 27, 2020 6:36 pm
Structural optimization for monolayer In2Se3

Last post by suman « Fri Jan 24, 2020 6:11 pm

by suman » Fri Jan 24, 2020 6:11 pm
This topic was posted 1701 days ago

0 Replies

2686 Views

Last post by suman
Fri Jan 24, 2020 6:11 pm
elastic constant (HELP) ZnO B3

Last post by NPike « Fri Jan 10, 2020 6:06 pm
Replies: 1
by houssem » Thu Jan 02, 2020 10:02 am
This topic was posted 1723 days ago

1 Replies

2450 Views

Last post by NPike
Fri Jan 10, 2020 6:06 pm
INput file for perovskite solar cells

Last post by Olivier.5590 « Wed Dec 25, 2019 1:31 pm
Replies: 3
by hameed1987 » Wed Oct 30, 2019 7:14 pm
This topic was posted 1787 days ago

3 Replies

3233 Views

Last post by Olivier.5590
Wed Dec 25, 2019 1:31 pm
Relaxation, letting space group change [SOLVED]

Last post by jerkov « Thu Dec 19, 2019 8:57 pm
Replies: 2
by jerkov » Tue Nov 26, 2019 6:17 pm
This topic was posted 1760 days ago

2 Replies

3690 Views

Last post by jerkov
Thu Dec 19, 2019 8:57 pm
smearing for projected dos on angular momentum channels

Last post by Bibek Samal « Thu Nov 28, 2019 6:07 pm
Replies: 4
by bmatt » Sat Nov 15, 2014 11:28 pm
This topic was posted 3597 days ago

4 Replies

5152 Views

Last post by Bibek Samal
Thu Nov 28, 2019 6:07 pm
Chksymbreak problem although cubic structure is symmetric

Last post by NPike « Wed Oct 16, 2019 5:19 pm
Replies: 1
by sbphys » Tue Sep 17, 2019 11:10 pm
This topic was posted 1830 days ago

1 Replies

2297 Views

Last post by NPike
Wed Oct 16, 2019 5:19 pm
Heusler compounds

Last post by NPike « Mon Oct 07, 2019 6:29 pm
Replies: 1
by hameed1987 » Sun Aug 25, 2019 3:37 pm
This topic was posted 1853 days ago

1 Replies

2088 Views

Last post by NPike
Mon Oct 07, 2019 6:29 pm
Band Structure for Cds

Last post by NPike « Mon Oct 07, 2019 6:27 pm
Replies: 1
by hameed1987 » Thu Aug 29, 2019 11:43 am
This topic was posted 1849 days ago

1 Replies

2245 Views

Last post by NPike
Mon Oct 07, 2019 6:27 pm
Chksymbreak=1 error though structure is symmetric

Last post by NPike « Mon Oct 07, 2019 6:21 pm
Replies: 1
by sbphys » Fri Sep 13, 2019 7:21 pm
This topic was posted 1834 days ago

1 Replies

2271 Views

Last post by NPike
Mon Oct 07, 2019 6:21 pm
relaxation of supercell different from primitive cell

Last post by fhssn1 « Sun Sep 15, 2019 6:55 am

by fhssn1 » Sun Sep 15, 2019 6:55 am
This topic was posted 1832 days ago

0 Replies

3142 Views

Last post by fhssn1
Sun Sep 15, 2019 6:55 am
Changing the orientation of the unit cell

Last post by Hola « Thu Aug 29, 2019 12:56 am
Replies: 2
by Hola » Mon Jul 22, 2019 8:20 pm
This topic was posted 1887 days ago

2 Replies

2674 Views

Last post by Hola
Thu Aug 29, 2019 12:56 am
The understanding of `occ` variable

Last post by gonze « Wed Aug 21, 2019 2:51 pm
Replies: 1
by skyair » Sun Aug 11, 2019 11:19 am
This topic was posted 1867 days ago

1 Replies

2909 Views

Last post by gonze
Wed Aug 21, 2019 2:51 pm
Initialization of molecular dynamics run

Last post by gregory « Tue Aug 20, 2019 3:28 pm
Replies: 1
by natalie » Sat Jul 27, 2019 11:31 pm
This topic was posted 1882 days ago

1 Replies

2410 Views

Last post by gregory
Tue Aug 20, 2019 3:28 pm
Zeemanfield+spin-orbit

Last post by sbphys « Mon Aug 19, 2019 8:57 pm

by sbphys » Mon Aug 19, 2019 8:57 pm
This topic was posted 1859 days ago

0 Replies

2713 Views

Last post by sbphys
Mon Aug 19, 2019 8:57 pm
Band gap of FeO using DFT+U calculations [SOLVED]

Last post by ketong « Sun Aug 18, 2019 2:21 pm
Replies: 4
by ketong » Thu Aug 01, 2019 9:36 am
This topic was posted 1877 days ago

4 Replies

6127 Views

Last post by ketong
Sun Aug 18, 2019 2:21 pm
Structure optimisation stops [SOLVED]

Last post by wojtek « Wed Aug 14, 2019 8:19 am
Replies: 3
by wojtek » Sun Jul 07, 2019 11:45 am
This topic was posted 1902 days ago

3 Replies

4009 Views

Last post by wojtek
Wed Aug 14, 2019 8:19 am
Work function of TiN(111)

Last post by N.Suzuki « Fri Aug 09, 2019 9:11 am

by N.Suzuki » Fri Aug 09, 2019 9:11 am
This topic was posted 1869 days ago

0 Replies

2907 Views

Last post by N.Suzuki
Fri Aug 09, 2019 9:11 am
input file foroptimization

Last post by ebousquet « Wed Aug 07, 2019 9:03 pm
Replies: 5
by hameed1987 » Mon Jul 29, 2019 1:34 pm
This topic was posted 1880 days ago

5 Replies

4582 Views

Last post by ebousquet
Wed Aug 07, 2019 9:03 pm
How is the Fermi level defined in ABINIT

Last post by CHILL « Wed Aug 07, 2019 1:33 pm

by CHILL » Wed Aug 07, 2019 1:33 pm
This topic was posted 1871 days ago

0 Replies

2955 Views

Last post by CHILL
Wed Aug 07, 2019 1:33 pm

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