ABINIT Discussion Forums
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51 topics • Page 1 of 3 • 1, 2, 3
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- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 39878 Views
- Last post by pouillon
Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- input variables
by saikrishna » Fri Jun 21, 2019 12:19 pm - 3 Replies
- 80 Views
- Last post by ebousquet
Fri Jul 12, 2019 4:30 pm
- input variables
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- surface energy
by saikrishna » Thu Jul 11, 2019 10:28 am - 0 Replies
- 18 Views
- Last post by saikrishna
Thu Jul 11, 2019 10:28 am
- surface energy
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- Relate to the PhonTS: second and third force in DFPT?
by onion2440 » Sat Dec 01, 2018 3:28 am - 0 Replies
- 465 Views
- Last post by onion2440
Sat Dec 01, 2018 3:28 am
- Relate to the PhonTS: second and third force in DFPT?
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- [SOLVED 6.0.4] how to link abinit to Vsim?
by hhwj340 » Mon Jan 04, 2010 11:50 am - 16 Replies
- 11748 Views
- Last post by jean-luc
Thu Mar 09, 2017 5:24 pm
- [SOLVED 6.0.4] how to link abinit to Vsim?
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- how can I generate the pwfn.data in parallel mode?
by fanCy » Tue Sep 20, 2016 1:51 pm - 0 Replies
- 3587 Views
- Last post by fanCy
Tue Sep 20, 2016 1:51 pm
- how can I generate the pwfn.data in parallel mode?
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- Boltztrap-STOP error in factorization
by Janpreet Sidhu » Mon Aug 29, 2016 11:34 am
- 0 Replies
- 1903 Views
- Last post by Janpreet Sidhu
Mon Aug 29, 2016 11:34 am
- Boltztrap-STOP error in factorization
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- How to use ABIPY?
by schopra1980 » Wed Feb 26, 2014 6:04 am - 1 Replies
- 2447 Views
- Last post by marco.digennaro
Mon Aug 15, 2016 12:04 pm
- How to use ABIPY?
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- Where can I get ” wannier90-2.0.1.1.tar.gz “ manually ? [SOLVED]
by xueshanxihua » Mon Jun 20, 2016 5:34 am - 2 Replies
- 3078 Views
- Last post by pouillon
Thu Jun 23, 2016 12:23 pm
- Where can I get ” wannier90-2.0.1.1.tar.gz “ manually ? [SOLVED]
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- interface to W90 always failed with SOC ?
by pipidog » Sun Jun 05, 2016 12:42 am - 1 Replies
- 3232 Views
- Last post by gmatteo
Sun Jun 05, 2016 12:48 pm
- interface to W90 always failed with SOC ?
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- Can not link abinit to ELPA libraries.
by kinsang » Sat Apr 16, 2016 11:51 am - 1 Replies
- 2214 Views
- Last post by pouillon
Mon Apr 18, 2016 10:27 pm
- Can not link abinit to ELPA libraries.
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- Can I disable netcdf output by adding options in.files? [SOLVED]
by kinsang » Fri Apr 15, 2016 4:17 pm - 1 Replies
- 1741 Views
- Last post by Jordan
Mon Apr 18, 2016 10:11 am
- Can I disable netcdf output by adding options in.files? [SOLVED]
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- Error occurs in 7.10.5, when using fftw3.3.4 and cuda 7.5 [SOLVED]
by kinsang » Wed Mar 23, 2016 3:36 pm
- 3 Replies
- 2720 Views
- Last post by Jordan
Tue Apr 05, 2016 11:07 am
- Error occurs in 7.10.5, when using fftw3.3.4 and cuda 7.5 [SOLVED]
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- Is wannier90 v2.0 interfaced?
by pipidog » Thu Feb 18, 2016 12:46 am - 1 Replies
- 1614 Views
- Last post by pouillon
Fri Feb 19, 2016 1:24 pm
- Is wannier90 v2.0 interfaced?
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- Can Abinit perform electron transport calculations [SOLVED]
by Seba Darshan » Tue Nov 10, 2015 12:28 pm - 3 Replies
- 5057 Views
- Last post by rangel
Fri Dec 25, 2015 1:40 am
- Can Abinit perform electron transport calculations [SOLVED]
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- How to interface Abinit with current version of WanT code [SOLVED]
by Seba Darshan » Thu Aug 27, 2015 11:08 am - 1 Replies
- 2764 Views
- Last post by rangel
Tue Dec 01, 2015 7:09 pm
- How to interface Abinit with current version of WanT code [SOLVED]
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- Question about atompaw tutorial 2.
by wmaddox » Fri Nov 27, 2015 7:06 am - 0 Replies
- 1603 Views
- Last post by wmaddox
Fri Nov 27, 2015 7:06 am
- Question about atompaw tutorial 2.
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- Segfault when linking with Wannier90
by esr3d » Tue Dec 02, 2014 5:10 am
- 8 Replies
- 4856 Views
- Last post by pouillon
Tue Jun 09, 2015 1:20 pm
- Segfault when linking with Wannier90
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- abipy test error
by sheng » Mon May 18, 2015 2:26 pm - 0 Replies
- 1717 Views
- Last post by sheng
Mon May 18, 2015 2:26 pm
- abipy test error
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- Reading WFK with external program (fold2Bloch) [SOLVED]
by abokhanc » Tue Jul 29, 2014 4:37 pm - 3 Replies
- 3715 Views
- Last post by delaveau
Thu Jul 31, 2014 1:02 pm
- Reading WFK with external program (fold2Bloch) [SOLVED]
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- Abinit vs SIESTA vs QuantumEspresso [SOLVED]
by hatuey » Thu Sep 08, 2011 1:22 pm - 4 Replies
- 8005 Views
- Last post by hatuey
Tue May 27, 2014 2:48 pm
- Abinit vs SIESTA vs QuantumEspresso [SOLVED]
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- Small bug in the atompaw configure script
by raul_l » Sun Apr 20, 2014 9:24 pm - 6 Replies
- 3485 Views
- Last post by pouillon
Fri Apr 25, 2014 11:29 am
- Small bug in the atompaw configure script
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- Error while enabling BIGDFT..linXC...linalg [SOLVED]
by schopra1980 » Wed Feb 05, 2014 12:08 pm
- 1 Replies
- 2614 Views
- Last post by pouillon
Thu Feb 06, 2014 5:17 pm
- Error while enabling BIGDFT..linXC...linalg [SOLVED]
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- BUG :Bloch phases to Wannier90
by Chem » Wed Jul 24, 2013 3:47 pm - 1 Replies
- 2280 Views
- Last post by rangel
Fri Nov 01, 2013 10:07 pm
- BUG :Bloch phases to Wannier90
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- etsf_io runtime error in 7.4.2 [SOLVED]
by carsten.fortmann » Fri Oct 18, 2013 2:48 pm
- 1 Replies
- 2389 Views
- Last post by carsten.fortmann
Wed Oct 23, 2013 10:53 am
- etsf_io runtime error in 7.4.2 [SOLVED]
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- Issues with etsf-io and POT files
by carsten.fortmann » Thu Dec 20, 2012 3:03 pm - 4 Replies
- 5026 Views
- Last post by carsten.fortmann
Mon Oct 14, 2013 10:59 am
- Issues with etsf-io and POT files
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