Response calculations
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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 3910 days ago - 0 Replies
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Last post by pouillon
Fri Aug 09, 2013 12:56 pm
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Wrong Berry phase with LOBPCG
by antonio » Mon Mar 25, 2019 5:53 pmThis topic was posted 1856 days ago - 3 Replies
- 3334 Views
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Last post by antonio
Tue May 28, 2019 3:21 pm
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Temperature-dependent band structure + density of states
by ashipley » Tue May 28, 2019 12:32 pmThis topic was posted 1792 days ago - 0 Replies
- 2487 Views
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Last post by ashipley
Tue May 28, 2019 12:32 pm
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electrical conductivity in different crystalline planes
by mdsimulationgroup » Thu May 23, 2019 2:44 pmThis topic was posted 1797 days ago - 0 Replies
- 2357 Views
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Last post by mdsimulationgroup
Thu May 23, 2019 2:44 pm
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- 7 Replies
- 6531 Views
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Last post by ebousquet
Fri May 10, 2019 10:26 pm
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Lattice Wannier functions from the previous versions
by cwmyung » Fri Apr 19, 2019 4:31 pmThis topic was posted 1831 days ago - 1 Replies
- 1880 Views
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Last post by ebousquet
Fri Apr 26, 2019 7:55 am
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- 4 Replies
- 5679 Views
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Last post by wlsong
Wed Apr 03, 2019 10:38 am
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IFC and unit of freq in PHDOS
by ganck » Wed Feb 13, 2019 11:41 amThis topic was posted 1896 days ago - 3 Replies
- 3365 Views
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Last post by mverstra
Mon Apr 01, 2019 1:54 pm
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ANADDB calculation of silicon
by Aiswarya Samal » Tue Mar 26, 2019 11:08 amThis topic was posted 1855 days ago - 3 Replies
- 2829 Views
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Last post by mverstra
Wed Mar 27, 2019 3:09 pm
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parallel berryopt -1 crashing with more than one node
by antonio » Wed Dec 05, 2018 5:02 pmThis topic was posted 1966 days ago - 17 Replies
- 12785 Views
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Last post by ebousquet
Fri Mar 22, 2019 4:58 pm
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Sudden break of running task with error not source code file [SOLVED]
by letuan » Fri Mar 15, 2019 5:40 amThis topic was posted 1867 days ago - 1 Replies
- 3024 Views
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Last post by letuan
Fri Mar 15, 2019 7:22 am
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Kxc not implemented for GGA!
by woffermans » Tue Nov 27, 2018 4:34 pmThis topic was posted 1974 days ago - 10 Replies
- 7138 Views
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Last post by woffermans
Thu Jan 31, 2019 10:07 am
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ARPES spectra from electron-phonon calculation
by chrisewolf » Sun Jan 06, 2019 4:05 amThis topic was posted 1935 days ago - 0 Replies
- 2517 Views
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Last post by chrisewolf
Sun Jan 06, 2019 4:05 am
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Structure optimization [SOLVED]
by kiran » Sat Apr 15, 2017 10:24 amThis topic was posted 2566 days ago - 3 Replies
- 4650 Views
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Last post by kiran
Thu Dec 20, 2018 9:01 am
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RF calculation (iscf=-3) is very slow...
by Hiroki » Sun Dec 09, 2018 8:55 amThis topic was posted 1963 days ago - 1 Replies
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Last post by ebousquet
Fri Dec 14, 2018 4:25 pm
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DDB file does not contain GS etotal
by gswylq » Sat Dec 01, 2018 10:28 amThis topic was posted 1970 days ago - 1 Replies
- 2128 Views
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Last post by ebousquet
Wed Dec 05, 2018 10:08 am
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symmetry and phonon response function calculation
by woffermans » Wed Nov 28, 2018 11:51 amThis topic was posted 1973 days ago - 0 Replies
- 2433 Views
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Last post by woffermans
Wed Nov 28, 2018 11:51 am
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- 4 Replies
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Last post by aria
Wed Oct 17, 2018 7:05 pm
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Segmentation fault (core dumped) problem in NLO calculation [SOLVED]
by Zhang Xiaole » Wed Nov 02, 2011 7:26 amThis topic was posted 4557 days ago - 5 Replies
- 8517 Views
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Last post by mverstra
Fri Oct 05, 2018 10:01 am
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Nonlinear tensors of LiTaO3 and LiNbO3 [SOLVED]
by MarkusKonrad » Sun Aug 12, 2018 5:54 pmThis topic was posted 2081 days ago - 4 Replies
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Last post by MarkusKonrad
Fri Sep 07, 2018 11:29 am
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Schottky barrier height in Metal/semiconductor junction
by manik16 » Thu Sep 06, 2018 12:26 pmThis topic was posted 2056 days ago - 3 Replies
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Last post by mverstra
Thu Sep 06, 2018 11:26 pm
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Nonlinear response calculations with PBE functional
by ahoffman » Thu Mar 01, 2018 12:31 pmThis topic was posted 2245 days ago - 2 Replies
- 3244 Views
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Last post by mverstra
Thu Sep 06, 2018 1:44 pm
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Phonon DOS problem [SOLVED]
by CHILL » Wed Oct 11, 2017 11:14 pmThis topic was posted 2386 days ago - 17 Replies
- 18837 Views
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Last post by mverstra
Thu Sep 06, 2018 1:40 pm
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crazy results with vDW df2 [SOLVED]
by recohen » Sun Dec 24, 2017 12:32 amThis topic was posted 2313 days ago - 2 Replies
- 4686 Views
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Last post by mverstra
Thu Sep 06, 2018 1:36 pm
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- 2 Replies
- 3296 Views
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Last post by gmatteo
Tue Jul 17, 2018 10:08 pm
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Temperature dependent electronic structure
by arjunvarmar » Sat Jun 16, 2018 10:02 amThis topic was posted 2139 days ago - 7 Replies
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Last post by mverstra
Tue Jun 26, 2018 5:15 pm
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