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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 4060 days ago

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Last post by pouillon
Fri Aug 09, 2013 12:56 pm

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DFT+U

Last post by ebousquet « Tue Mar 06, 2018 10:07 am
Replies: 2
by lakhal » Mon Oct 02, 2017 12:42 pm
This topic was posted 2545 days ago

2 Replies

3470 Views

Last post by ebousquet
Tue Mar 06, 2018 10:07 am
Calculation of energy of diatomic molecules

Last post by oav7459 « Tue Jan 16, 2018 10:52 am

by oav7459 » Tue Jan 16, 2018 10:52 am
This topic was posted 2439 days ago

0 Replies

2467 Views

Last post by oav7459
Tue Jan 16, 2018 10:52 am
Partial waves and projectors in AtomPAW [SOLVED]

Last post by elchatz « Fri Nov 03, 2017 5:29 pm
Replies: 2
by elchatz » Wed Oct 25, 2017 11:06 am
This topic was posted 2522 days ago

2 Replies

4604 Views

Last post by elchatz
Fri Nov 03, 2017 5:29 pm
pspheads.F90 error on PAW dataset (xml files) [SOLVED]

Last post by AlexandrePy « Wed Oct 04, 2017 6:24 pm
Replies: 1
by AlexandrePy » Tue Oct 03, 2017 9:03 pm
This topic was posted 2544 days ago

1 Replies

3472 Views

Last post by AlexandrePy
Wed Oct 04, 2017 6:24 pm
How can I get virtual crystal approximation

Last post by mverstra « Tue Oct 03, 2017 3:03 pm
Replies: 4
by Mutta » Sun Oct 31, 2010 5:10 am
This topic was posted 5073 days ago

4 Replies

7499 Views

Last post by mverstra
Tue Oct 03, 2017 3:03 pm
Can I mix different PAW atomic data from GPAW code

Last post by harada57 « Wed Aug 09, 2017 10:33 am
Replies: 5
by andreichibisov » Fri Jun 07, 2013 12:20 pm
This topic was posted 4123 days ago

5 Replies

6427 Views

Last post by harada57
Wed Aug 09, 2017 10:33 am
FAT-band and orientation

Last post by zintlphase « Mon Jul 31, 2017 10:02 pm

by zintlphase » Mon Jul 31, 2017 10:02 pm
This topic was posted 2608 days ago

0 Replies

2257 Views

Last post by zintlphase
Mon Jul 31, 2017 10:02 pm
How to use GLLBSC function in ABINIT

Last post by jinling « Mon Jul 03, 2017 3:38 pm

by jinling » Mon Jul 03, 2017 3:38 pm
This topic was posted 2636 days ago

0 Replies

2462 Views

Last post by jinling
Mon Jul 03, 2017 3:38 pm
how to generate local pseudopotentials?

Last post by jiayudai « Thu Jun 15, 2017 5:09 pm

by jiayudai » Thu Jun 15, 2017 5:09 pm
This topic was posted 2654 days ago

0 Replies

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Last post by jiayudai
Thu Jun 15, 2017 5:09 pm
Core level in the valence

Last post by elchatz « Mon May 22, 2017 2:49 pm

by elchatz » Mon May 22, 2017 2:49 pm
This topic was posted 2678 days ago

0 Replies

2560 Views

Last post by elchatz
Mon May 22, 2017 2:49 pm
question about extension_switch in ONCVPSP pseudos

Last post by setten « Thu May 11, 2017 12:02 pm
Replies: 1
by gregory » Thu Mar 09, 2017 4:50 pm
This topic was posted 2752 days ago

1 Replies

3197 Views

Last post by setten
Thu May 11, 2017 12:02 pm
different PPs for same atom type [SOLVED]

Last post by mverstra « Tue May 09, 2017 10:59 pm
Replies: 1
by kdd » Tue May 02, 2017 1:15 pm
This topic was posted 2698 days ago

1 Replies

4197 Views

Last post by mverstra
Tue May 09, 2017 10:59 pm
GaAs wurtzite

Last post by ilukacevic « Fri Mar 17, 2017 8:25 am
Replies: 21
by aaaa202 » Tue Nov 03, 2015 11:53 am
This topic was posted 3244 days ago

21 Replies

27952 Views

Last post by ilukacevic
Fri Mar 17, 2017 8:25 am
Compensation charge over fine fft grid in nscf run with PAW

Last post by thanusit « Thu Mar 16, 2017 5:27 am

by thanusit » Thu Mar 16, 2017 5:27 am
This topic was posted 2745 days ago

0 Replies

2427 Views

Last post by thanusit
Thu Mar 16, 2017 5:27 am
[SOLVED 6.0.4] how to link abinit to Vsim?

Last post by jean-luc « Thu Mar 09, 2017 4:24 pm
Replies: 16
by hhwj340 » Mon Jan 04, 2010 10:50 am
This topic was posted 5373 days ago

16 Replies

23084 Views

Last post by jean-luc
Thu Mar 09, 2017 4:24 pm
InAs band structure

Last post by shalom « Wed Mar 01, 2017 5:11 pm
Replies: 18
by aaaa202 » Tue Oct 27, 2015 2:13 pm
This topic was posted 3251 days ago

18 Replies

25108 Views

Last post by shalom
Wed Mar 01, 2017 5:11 pm
Projectors in psp8

Last post by ebousquet « Thu Feb 09, 2017 10:14 am
Replies: 1
by feraguig » Thu Feb 02, 2017 6:20 pm
This topic was posted 2787 days ago

1 Replies

2872 Views

Last post by ebousquet
Thu Feb 09, 2017 10:14 am
WARNING info of the output file using PAW + LDA

Last post by yzk « Mon Dec 26, 2016 8:09 am
Replies: 2
by yzk » Wed Dec 21, 2016 8:51 am
This topic was posted 2830 days ago

2 Replies

3140 Views

Last post by yzk
Mon Dec 26, 2016 8:09 am
SCF convergence problem with one anion in a box

Last post by gmatteo « Mon Dec 19, 2016 10:09 pm
Replies: 1
by dyu » Wed Nov 16, 2016 2:53 pm
This topic was posted 2865 days ago

1 Replies

2786 Views

Last post by gmatteo
Mon Dec 19, 2016 10:09 pm
Silicon PAW GGS PBE pawio_print_ij: WARNINGs

Last post by ebousquet « Thu Dec 15, 2016 7:47 pm
Replies: 1
by jennydaman » Tue Dec 13, 2016 10:16 pm
This topic was posted 2838 days ago

1 Replies

3435 Views

Last post by ebousquet
Thu Dec 15, 2016 7:47 pm
JTH PAW Atomic Data file for N [SOLVED]

Last post by guolingju « Wed Nov 16, 2016 4:57 am
Replies: 2
by dyu » Fri Nov 11, 2016 4:32 pm
This topic was posted 2870 days ago

2 Replies

4754 Views

Last post by guolingju
Wed Nov 16, 2016 4:57 am
decrease cutoff radius of PAW dataset [SOLVED]

Last post by ebousquet « Tue Nov 15, 2016 11:33 am
Replies: 1
by dyu » Mon Nov 14, 2016 11:04 pm
This topic was posted 2867 days ago

1 Replies

4495 Views

Last post by ebousquet
Tue Nov 15, 2016 11:33 am
pawpsp_calc Max. radius for Vloc is too large

Last post by ucsdmavrl « Sun Nov 13, 2016 1:50 am
Replies: 1
by nancynaguib » Thu Sep 08, 2016 10:36 am
This topic was posted 2934 days ago

1 Replies

3154 Views

Last post by ucsdmavrl
Sun Nov 13, 2016 1:50 am
problem with ONCV PS for H

Last post by gmatteo « Sat Oct 22, 2016 10:19 am
Replies: 1
by Artem » Fri Oct 14, 2016 1:39 pm
This topic was posted 2898 days ago

1 Replies

4253 Views

Last post by gmatteo
Sat Oct 22, 2016 10:19 am
How to change nuclear size in pseudopotential?

Last post by fanCy « Mon Oct 10, 2016 2:19 pm

by fanCy » Mon Oct 10, 2016 2:19 pm
This topic was posted 2902 days ago

0 Replies

2477 Views

Last post by fanCy
Mon Oct 10, 2016 2:19 pm

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