Pseudopotentials and PAW datasets
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Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm » in Platform specific questionsThis topic was posted 2758 days ago - 0 Replies
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Last post by pouillon
Fri Aug 09, 2013 12:56 pm
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Reading psml pseudodojo potentials with spin-orbit
by tsirkin » Wed Jan 29, 2020 5:44 pmThis topic was posted 394 days ago - 5 Replies
- 2325 Views
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Last post by dbennett1994
Fri Nov 20, 2020 11:35 am
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JTH PAW atomic datasets for Cr and Cu
by ryne60 » Wed Nov 11, 2020 2:55 pmThis topic was posted 107 days ago - 0 Replies
- 971 Views
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Last post by ryne60
Wed Nov 11, 2020 2:55 pm
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LDA+DMFT(Spectral function for 5d +matsubara self-energies)
by fngassam » Tue Sep 22, 2020 2:38 pmThis topic was posted 157 days ago - 1 Replies
- 1016 Views
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Last post by ebousquet
Tue Oct 06, 2020 3:26 pm
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H2 example with PAW pseudopotential and spinorbital effects
by miro_ilias » Sun Jul 12, 2020 9:22 pmThis topic was posted 229 days ago - 2 Replies
- 816 Views
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Last post by gmatteo
Fri Sep 25, 2020 6:20 pm
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l-projected spectral function in LDA+DMFT (CTQMC)
by ramsamojkewat » Sat Nov 16, 2019 7:45 amThis topic was posted 468 days ago - 1 Replies
- 764 Views
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Last post by fngassam
Tue Sep 22, 2020 2:36 pm
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The eigenvector with band 1 has zero norm
by miro_ilias » Sat Jul 11, 2020 2:32 pmThis topic was posted 230 days ago - 5 Replies
- 1136 Views
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Last post by jbeuken
Fri Jul 17, 2020 3:05 pm
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convert VASP POTCAR for Abinit
by miro_ilias » Tue Jul 07, 2020 9:46 pmThis topic was posted 234 days ago - 5 Replies
- 887 Views
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Last post by ebousquet
Thu Jul 16, 2020 4:07 pm
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Help with various Pseudopotential files read in
by Csun » Fri Jun 05, 2020 10:08 pmThis topic was posted 266 days ago - 1 Replies
- 384 Views
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Last post by gmatteo
Thu Jul 02, 2020 2:43 am
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how to define symrel values for LDA+U calculations.
by abgs01 » Thu Dec 12, 2019 12:35 pmThis topic was posted 442 days ago - 4 Replies
- 969 Views
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Last post by abgs01
Mon Jun 29, 2020 12:21 pm
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DOJO Report and Hint explNtion
by erichmond » Sat Jun 06, 2020 11:22 amThis topic was posted 265 days ago - 2 Replies
- 456 Views
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Last post by erichmond
Tue Jun 09, 2020 8:32 am
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Potential problem with Lu JTH v1.1
by andrewshyichuk » Wed May 06, 2020 7:53 pmThis topic was posted 296 days ago - 1 Replies
- 404 Views
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Last post by ebousquet
Thu Jun 04, 2020 4:07 pm
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Where to find LDA and hybrid pseudopotentials
by erichmond » Thu Mar 26, 2020 4:26 amThis topic was posted 337 days ago - 8 Replies
- 1952 Views
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Last post by erichmond
Wed May 27, 2020 6:15 am
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Pseudopotential file pspxc not equal to input ixc [SOLVED]
by andyamygto » Wed Mar 25, 2020 1:48 pmThis topic was posted 338 days ago - 2 Replies
- 758 Views
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Last post by andyamygto
Mon Mar 30, 2020 2:19 pm
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Where to find LDA and hybrid pseudopotentials
by erichmond » Thu Mar 26, 2020 4:25 amThis topic was posted 337 days ago - 0 Replies
- 959 Views
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Last post by erichmond
Thu Mar 26, 2020 4:25 am
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problem with paw input files
by abgs01 » Tue Dec 10, 2019 1:41 pmThis topic was posted 444 days ago - 4 Replies
- 1071 Views
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Last post by ebousquet
Tue Mar 03, 2020 4:53 pm
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DFPT phonon with soc problem:rhoijim must be allocated!
by onion2440 » Tue Jul 30, 2019 10:33 amThis topic was posted 577 days ago - 30 Replies
- 4222 Views
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Last post by andyamygto
Wed Feb 26, 2020 3:20 am
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Big difference for Fermi energy between Abinit and VASP
by onion2440 » Fri Aug 09, 2019 4:11 pmThis topic was posted 567 days ago - 2 Replies
- 1047 Views
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Last post by NPike
Sun Oct 27, 2019 9:25 pm
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Pseudopotential for Pr element with f orbital forzen at core
by sbphys » Tue Sep 17, 2019 10:44 pmThis topic was posted 528 days ago - 1 Replies
- 556 Views
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Last post by ebousquet
Sat Oct 26, 2019 9:39 pm
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Pr pseudopotential with f state forzen in core
by sbphys » Fri Sep 13, 2019 5:47 pmThis topic was posted 532 days ago - 0 Replies
- 809 Views
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Last post by sbphys
Fri Sep 13, 2019 5:47 pm
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- 2 Replies
- 739 Views
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Last post by hameed1987
Tue Jul 23, 2019 12:44 pm
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How to get the Hartwigsen-Goedecker-Hutter pseudopotentials [SOLVED]
by jlwindy » Thu Apr 18, 2019 7:01 amThis topic was posted 680 days ago - 1 Replies
- 1040 Views
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Last post by ebousquet
Fri Apr 26, 2019 7:59 am
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Problem running PAW with HF exchange / hybrid functional
by cgs12 » Fri Aug 11, 2017 8:19 pmThis topic was posted 1295 days ago - 2 Replies
- 2618 Views
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Last post by clickerheroesgame
Fri Apr 19, 2019 6:31 am
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- 1 Replies
- 851 Views
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Last post by ebousquet
Thu Apr 04, 2019 6:09 pm
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low ecut for Cu, H, C, N, O
by mdsimulationgroup » Fri Mar 01, 2019 2:59 pmThis topic was posted 728 days ago - 1 Replies
- 864 Views
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Last post by ebousquet
Fri Mar 01, 2019 4:59 pm
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- 0 Replies
- 1266 Views
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Last post by ryne60
Fri Dec 21, 2018 9:16 am