Ground state
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Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINITThis topic was posted 3911 days ago - 0 Replies
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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]
by new_986 » Tue Feb 18, 2020 9:17 amThis topic was posted 1527 days ago - 8 Replies
- 6646 Views
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Last post by new_986
Tue Feb 25, 2020 9:19 am
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Input file for optimization
by hameed1987 » Tue Jan 28, 2020 7:15 amThis topic was posted 1548 days ago - 1 Replies
- 2212 Views
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Last post by ebousquet
Sun Feb 09, 2020 12:18 am
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- 1 Replies
- 2046 Views
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Last post by NPike
Fri Feb 07, 2020 6:38 pm
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input variable for Spin
by hameed1987 » Thu Jan 30, 2020 7:53 pmThis topic was posted 1546 days ago - 1 Replies
- 2105 Views
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Last post by andyamygto
Fri Jan 31, 2020 4:00 pm
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structural optimization for monolayer In2Se3
by suman » Thu Jan 30, 2020 4:25 pmThis topic was posted 1546 days ago - 0 Replies
- 2299 Views
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Last post by suman
Thu Jan 30, 2020 4:25 pm
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Input file to compute band structures of ternary compound
by hameed1987 » Sat Jan 25, 2020 7:31 amThis topic was posted 1551 days ago - 2 Replies
- 2508 Views
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Last post by hameed1987
Mon Jan 27, 2020 6:36 pm
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Structural optimization for monolayer In2Se3
by suman » Fri Jan 24, 2020 6:11 pmThis topic was posted 1552 days ago - 0 Replies
- 2371 Views
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Last post by suman
Fri Jan 24, 2020 6:11 pm
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elastic constant (HELP) ZnO B3
by houssem » Thu Jan 02, 2020 10:02 amThis topic was posted 1574 days ago - 1 Replies
- 2221 Views
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Last post by NPike
Fri Jan 10, 2020 6:06 pm
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INput file for perovskite solar cells
by hameed1987 » Wed Oct 30, 2019 7:14 pmThis topic was posted 1638 days ago - 3 Replies
- 2891 Views
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Last post by Olivier.5590
Wed Dec 25, 2019 1:31 pm
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Relaxation, letting space group change [SOLVED]
by jerkov » Tue Nov 26, 2019 6:17 pmThis topic was posted 1611 days ago - 2 Replies
- 3305 Views
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Last post by jerkov
Thu Dec 19, 2019 8:57 pm
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smearing for projected dos on angular momentum channels
by bmatt » Sat Nov 15, 2014 11:28 pmThis topic was posted 3448 days ago - 4 Replies
- 4771 Views
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Last post by Bibek Samal
Thu Nov 28, 2019 6:07 pm
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Chksymbreak problem although cubic structure is symmetric
by sbphys » Tue Sep 17, 2019 11:10 pmThis topic was posted 1681 days ago - 1 Replies
- 2066 Views
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Last post by NPike
Wed Oct 16, 2019 5:19 pm
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- 1 Replies
- 1866 Views
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Last post by NPike
Mon Oct 07, 2019 6:29 pm
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Band Structure for Cds
by hameed1987 » Thu Aug 29, 2019 11:43 amThis topic was posted 1700 days ago - 1 Replies
- 2016 Views
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Last post by NPike
Mon Oct 07, 2019 6:27 pm
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Chksymbreak=1 error though structure is symmetric
by sbphys » Fri Sep 13, 2019 7:21 pmThis topic was posted 1685 days ago - 1 Replies
- 2023 Views
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Last post by NPike
Mon Oct 07, 2019 6:21 pm
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relaxation of supercell different from primitive cell
by fhssn1 » Sun Sep 15, 2019 6:55 amThis topic was posted 1683 days ago - 0 Replies
- 2864 Views
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Last post by fhssn1
Sun Sep 15, 2019 6:55 am
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Changing the orientation of the unit cell
by Hola » Mon Jul 22, 2019 8:20 pmThis topic was posted 1738 days ago - 2 Replies
- 2389 Views
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Last post by Hola
Thu Aug 29, 2019 12:56 am
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The understanding of `occ` variable
by skyair » Sun Aug 11, 2019 11:19 amThis topic was posted 1718 days ago - 1 Replies
- 2597 Views
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Last post by gonze
Wed Aug 21, 2019 2:51 pm
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Initialization of molecular dynamics run
by natalie » Sat Jul 27, 2019 11:31 pmThis topic was posted 1733 days ago - 1 Replies
- 2175 Views
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Last post by gregory
Tue Aug 20, 2019 3:28 pm
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- 0 Replies
- 2447 Views
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Last post by sbphys
Mon Aug 19, 2019 8:57 pm
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Band gap of FeO using DFT+U calculations [SOLVED]
by ketong » Thu Aug 01, 2019 9:36 amThis topic was posted 1728 days ago - 4 Replies
- 5231 Views
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Last post by ketong
Sun Aug 18, 2019 2:21 pm
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Structure optimisation stops [SOLVED]
by wojtek » Sun Jul 07, 2019 11:45 amThis topic was posted 1753 days ago - 3 Replies
- 3599 Views
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Last post by wojtek
Wed Aug 14, 2019 8:19 am
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Work function of TiN(111)
by N.Suzuki » Fri Aug 09, 2019 9:11 amThis topic was posted 1720 days ago - 0 Replies
- 2659 Views
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Last post by N.Suzuki
Fri Aug 09, 2019 9:11 am
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input file foroptimization
by hameed1987 » Mon Jul 29, 2019 1:34 pmThis topic was posted 1731 days ago - 5 Replies
- 4165 Views
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Last post by ebousquet
Wed Aug 07, 2019 9:03 pm
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How is the Fermi level defined in ABINIT
by CHILL » Wed Aug 07, 2019 1:33 pmThis topic was posted 1722 days ago - 0 Replies
- 2623 Views
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Last post by CHILL
Wed Aug 07, 2019 1:33 pm
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