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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Fri Aug 09, 2013 12:56 pm

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Problem with positronic ground state calculation

Last post by ehecht « Wed Sep 13, 2017 9:51 pm

by ehecht » Wed Sep 13, 2017 9:51 pm
This topic was posted 2564 days ago

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Last post by ehecht
Wed Sep 13, 2017 9:51 pm
Implementing new XC functional

Last post by gyro555in « Wed Aug 16, 2017 1:19 pm

by gyro555in » Wed Aug 16, 2017 1:19 pm
This topic was posted 2593 days ago

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Last post by gyro555in
Wed Aug 16, 2017 1:19 pm
About LDA+DMFT and electron distribution

Last post by xyli « Wed Aug 16, 2017 2:18 am

by xyli » Wed Aug 16, 2017 2:18 am
This topic was posted 2593 days ago

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Last post by xyli
Wed Aug 16, 2017 2:18 am
question about local PBE0 (useexexch) ?

Last post by pipidog « Sat Aug 05, 2017 1:35 am

by pipidog » Sat Aug 05, 2017 1:35 am
This topic was posted 2604 days ago

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Last post by pipidog
Sat Aug 05, 2017 1:35 am
About the DMFT calculations for BiFeO3 using Hubbard I

Last post by Markk786 « Fri Aug 04, 2017 3:53 pm
Replies: 5
by identation » Sat Apr 01, 2017 1:12 pm
This topic was posted 2730 days ago

5 Replies

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Last post by Markk786
Fri Aug 04, 2017 3:53 pm
MEP Using NEB+Improved Tangent

Last post by umanzorme « Tue Aug 01, 2017 3:04 am
Replies: 1
by umanzorme » Wed Jul 19, 2017 8:23 pm
This topic was posted 2620 days ago

1 Replies

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Last post by umanzorme
Tue Aug 01, 2017 3:04 am
BigDFT 10x faster

Last post by andreaeureka « Thu Jul 27, 2017 5:23 pm

by andreaeureka » Thu Jul 27, 2017 5:23 pm
This topic was posted 2612 days ago

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Last post by andreaeureka
Thu Jul 27, 2017 5:23 pm
how to calculate the electronic band structrues with DMFT?

Last post by onion2440 « Wed Jul 26, 2017 11:25 am

by onion2440 » Wed Jul 26, 2017 11:25 am
This topic was posted 2614 days ago

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Last post by onion2440
Wed Jul 26, 2017 11:25 am
U determination for oxygen monoclinic ?

Last post by as01 « Tue Jul 11, 2017 5:17 pm

by as01 » Tue Jul 11, 2017 5:17 pm
This topic was posted 2628 days ago

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Last post by as01
Tue Jul 11, 2017 5:17 pm
ERROR: overflow of mcg integer for size of the full wf

Last post by Visum « Tue Jun 27, 2017 7:38 pm

by Visum » Tue Jun 27, 2017 7:38 pm
This topic was posted 2642 days ago

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Last post by Visum
Tue Jun 27, 2017 7:38 pm
input file of (3,3) CNT

Last post by Seba Darshan « Thu Jun 22, 2017 8:31 am

by Seba Darshan » Thu Jun 22, 2017 8:31 am
This topic was posted 2648 days ago

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Last post by Seba Darshan
Thu Jun 22, 2017 8:31 am
The value of the tsmear in dmft calculation

Last post by onion2440 « Fri Jun 16, 2017 4:13 pm

by onion2440 » Fri Jun 16, 2017 4:13 pm
This topic was posted 2653 days ago

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1671 Views

Last post by onion2440
Fri Jun 16, 2017 4:13 pm
Out of memory problem

Last post by TriSugiono « Tue Jun 13, 2017 5:59 am

by TriSugiono » Tue Jun 13, 2017 5:59 am
This topic was posted 2657 days ago

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Last post by TriSugiono
Tue Jun 13, 2017 5:59 am
Out of Memory

Last post by TriSugiono « Mon Jun 12, 2017 6:33 am

by TriSugiono » Mon Jun 12, 2017 6:33 am
This topic was posted 2658 days ago

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Last post by TriSugiono
Mon Jun 12, 2017 6:33 am
How to calculate optical absorption and conductivity

Last post by TriSugiono « Fri Jun 09, 2017 11:00 am

by TriSugiono » Fri Jun 09, 2017 11:00 am
This topic was posted 2661 days ago

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Last post by TriSugiono
Fri Jun 09, 2017 11:00 am
input file for doped ZrO2 2*2*2 supercell

Last post by amir « Wed Jun 07, 2017 6:05 am
Replies: 5
by amir » Tue Apr 21, 2015 11:30 pm
This topic was posted 3440 days ago

5 Replies

5507 Views

Last post by amir
Wed Jun 07, 2017 6:05 am
Using background charge

Last post by amir « Tue Jun 06, 2017 6:55 pm

by amir » Tue Jun 06, 2017 6:55 pm
This topic was posted 2663 days ago

0 Replies

1571 Views

Last post by amir
Tue Jun 06, 2017 6:55 pm
elastic constants

Last post by M.Hocine TEDJINI « Mon Jun 05, 2017 4:37 pm

by M.Hocine TEDJINI » Mon Jun 05, 2017 4:37 pm
This topic was posted 2664 days ago

0 Replies

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Last post by M.Hocine TEDJINI
Mon Jun 05, 2017 4:37 pm
errors in DMFT CTQMC solver

Last post by amadon « Tue May 30, 2017 6:13 pm
Replies: 1
by pipidog » Thu May 25, 2017 2:37 am
This topic was posted 2676 days ago

1 Replies

2190 Views

Last post by amadon
Tue May 30, 2017 6:13 pm
Geometry optimization

Last post by kirans « Thu May 25, 2017 11:38 am

by kirans » Thu May 25, 2017 11:38 am
This topic was posted 2676 days ago

0 Replies

1592 Views

Last post by kirans
Thu May 25, 2017 11:38 am
Posdoppler Problems [SOLVED]

Last post by Julia « Wed May 24, 2017 8:50 pm
Replies: 1
by ehecht » Fri May 12, 2017 3:52 pm
This topic was posted 2688 days ago

1 Replies

3296 Views

Last post by Julia
Wed May 24, 2017 8:50 pm
SCF convergence is reached?

Last post by proffess « Wed May 24, 2017 8:27 pm

by proffess » Wed May 24, 2017 8:27 pm
This topic was posted 2676 days ago

0 Replies

1767 Views

Last post by proffess
Wed May 24, 2017 8:27 pm
Remove the lowest state during electronic minimization

Last post by elchatz « Tue May 23, 2017 10:00 pm
Replies: 1
by elchatz » Mon May 22, 2017 3:34 pm
This topic was posted 2678 days ago

1 Replies

1855 Views

Last post by elchatz
Tue May 23, 2017 10:00 pm
Optimization of ZBNNR

Last post by kirans « Tue May 23, 2017 12:13 pm

by kirans » Tue May 23, 2017 12:13 pm
This topic was posted 2678 days ago

0 Replies

1688 Views

Last post by kirans
Tue May 23, 2017 12:13 pm
ipcel issue

Last post by mboaks « Sat May 20, 2017 8:25 pm

by mboaks » Sat May 20, 2017 8:25 pm
This topic was posted 2680 days ago

0 Replies

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Last post by mboaks
Sat May 20, 2017 8:25 pm

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