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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 3905 days ago - 0 Replies
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Last post by pouillon
Fri Aug 09, 2013 12:56 pm
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- 2 Replies
- 3168 Views
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Last post by ebousquet
Tue Mar 06, 2018 10:07 am
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Calculation of energy of diatomic molecules
by oav7459 » Tue Jan 16, 2018 10:52 amThis topic was posted 2284 days ago - 0 Replies
- 2261 Views
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Last post by oav7459
Tue Jan 16, 2018 10:52 am
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Partial waves and projectors in AtomPAW [SOLVED]
by elchatz » Wed Oct 25, 2017 11:06 amThis topic was posted 2367 days ago - 2 Replies
- 4133 Views
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Last post by elchatz
Fri Nov 03, 2017 5:29 pm
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pspheads.F90 error on PAW dataset (xml files) [SOLVED]
by AlexandrePy » Tue Oct 03, 2017 9:03 pmThis topic was posted 2389 days ago - 1 Replies
- 3137 Views
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Last post by AlexandrePy
Wed Oct 04, 2017 6:24 pm
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How can I get virtual crystal approximation
by Mutta » Sun Oct 31, 2010 5:10 amThis topic was posted 4918 days ago - 4 Replies
- 7028 Views
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Last post by mverstra
Tue Oct 03, 2017 3:03 pm
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Can I mix different PAW atomic data from GPAW code
by andreichibisov » Fri Jun 07, 2013 12:20 pmThis topic was posted 3968 days ago - 5 Replies
- 5819 Views
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Last post by harada57
Wed Aug 09, 2017 10:33 am
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FAT-band and orientation
by zintlphase » Mon Jul 31, 2017 10:02 pmThis topic was posted 2453 days ago - 0 Replies
- 2101 Views
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Last post by zintlphase
Mon Jul 31, 2017 10:02 pm
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How to use GLLBSC function in ABINIT
by jinling » Mon Jul 03, 2017 3:38 pmThis topic was posted 2481 days ago - 0 Replies
- 2302 Views
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Last post by jinling
Mon Jul 03, 2017 3:38 pm
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how to generate local pseudopotentials?
by jiayudai » Thu Jun 15, 2017 5:09 pmThis topic was posted 2499 days ago - 0 Replies
- 2259 Views
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Last post by jiayudai
Thu Jun 15, 2017 5:09 pm
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- 0 Replies
- 2365 Views
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Last post by elchatz
Mon May 22, 2017 2:49 pm
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question about extension_switch in ONCVPSP pseudos
by gregory » Thu Mar 09, 2017 4:50 pmThis topic was posted 2597 days ago - 1 Replies
- 2987 Views
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Last post by setten
Thu May 11, 2017 12:02 pm
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different PPs for same atom type [SOLVED]
by kdd » Tue May 02, 2017 1:15 pmThis topic was posted 2543 days ago - 1 Replies
- 3738 Views
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Last post by mverstra
Tue May 09, 2017 10:59 pm
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- 21 Replies
- 22730 Views
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Last post by ilukacevic
Fri Mar 17, 2017 8:25 am
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Compensation charge over fine fft grid in nscf run with PAW
by thanusit » Thu Mar 16, 2017 5:27 amThis topic was posted 2590 days ago - 0 Replies
- 2215 Views
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Last post by thanusit
Thu Mar 16, 2017 5:27 am
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[SOLVED 6.0.4] how to link abinit to Vsim?
by hhwj340 » Mon Jan 04, 2010 10:50 amThis topic was posted 5218 days ago - 16 Replies
- 20061 Views
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Last post by jean-luc
Thu Mar 09, 2017 4:24 pm
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- 18 Replies
- 21982 Views
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Last post by shalom
Wed Mar 01, 2017 5:11 pm
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- 1 Replies
- 2642 Views
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Last post by ebousquet
Thu Feb 09, 2017 10:14 am
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WARNING info of the output file using PAW + LDA
by yzk » Wed Dec 21, 2016 8:51 amThis topic was posted 2675 days ago - 2 Replies
- 2905 Views
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Last post by yzk
Mon Dec 26, 2016 8:09 am
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SCF convergence problem with one anion in a box
by dyu » Wed Nov 16, 2016 2:53 pmThis topic was posted 2710 days ago - 1 Replies
- 2528 Views
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Last post by gmatteo
Mon Dec 19, 2016 10:09 pm
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Silicon PAW GGS PBE pawio_print_ij: WARNINGs
by jennydaman » Tue Dec 13, 2016 10:16 pmThis topic was posted 2683 days ago - 1 Replies
- 3248 Views
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Last post by ebousquet
Thu Dec 15, 2016 7:47 pm
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JTH PAW Atomic Data file for N [SOLVED]
by dyu » Fri Nov 11, 2016 4:32 pmThis topic was posted 2715 days ago - 2 Replies
- 4319 Views
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Last post by guolingju
Wed Nov 16, 2016 4:57 am
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decrease cutoff radius of PAW dataset [SOLVED]
by dyu » Mon Nov 14, 2016 11:04 pmThis topic was posted 2712 days ago - 1 Replies
- 4120 Views
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Last post by ebousquet
Tue Nov 15, 2016 11:33 am
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pawpsp_calc Max. radius for Vloc is too large
by nancynaguib » Thu Sep 08, 2016 10:36 amThis topic was posted 2779 days ago - 1 Replies
- 2971 Views
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Last post by ucsdmavrl
Sun Nov 13, 2016 1:50 am
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- 1 Replies
- 4029 Views
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Last post by gmatteo
Sat Oct 22, 2016 10:19 am
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How to change nuclear size in pseudopotential?
by fanCy » Mon Oct 10, 2016 2:19 pmThis topic was posted 2747 days ago - 0 Replies
- 2333 Views
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Last post by fanCy
Mon Oct 10, 2016 2:19 pm
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