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- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 39878 Views
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Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- band structure for conventional cell
by shima123 » Tue Jul 09, 2019 10:37 am - 2 Replies
- 35 Views
- Last post by shima123
Mon Jul 15, 2019 2:07 pm
- band structure for conventional cell
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- Convergence problem
by jlwindy » Sat Apr 13, 2019 7:08 pm - 13 Replies
- 543 Views
- Last post by jlwindy
Mon Jun 17, 2019 2:15 pm
- Convergence problem
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- How to generate a GSR file
by tohoyn » Sat Jun 01, 2019 2:00 pm - 1 Replies
- 89 Views
- Last post by gmatteo
Tue Jun 04, 2019 12:27 pm
- How to generate a GSR file
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- [anaddb] lowest mode true negative
by kduffelmann » Wed May 22, 2019 5:29 pm
- 1 Replies
- 83 Views
- Last post by ebousquet
Tue Jun 04, 2019 11:04 am
- [anaddb] lowest mode true negative
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- NETCDF4 and Abipy
by Gustavo Moneqz » Fri May 24, 2019 8:51 pm - 1 Replies
- 100 Views
- Last post by Gustavo Moneqz
Fri May 24, 2019 8:54 pm
- NETCDF4 and Abipy
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- Clamped ion and relaxed ion [SOLVED]
by jlwindy » Mon Apr 15, 2019 7:44 pm - 2 Replies
- 238 Views
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Sun Apr 28, 2019 10:20 am
- Clamped ion and relaxed ion [SOLVED]
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- Some wanings and comments to get elastic [SOLVED]
by jlwindy » Mon Mar 18, 2019 5:17 am - 2 Replies
- 242 Views
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Wed Apr 10, 2019 9:29 am
- Some wanings and comments to get elastic [SOLVED]
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- warning in the process to get DDB file [SOLVED]
by jlwindy » Tue Jan 22, 2019 5:21 pm - 2 Replies
- 360 Views
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Sat Jan 26, 2019 10:47 am
- warning in the process to get DDB file [SOLVED]
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- Non-collinear vectors in fold2bloch [SOLVED]
by CHILL » Tue Oct 02, 2018 10:28 am - 2 Replies
- 624 Views
- Last post by mverstra
Wed Jan 23, 2019 11:23 am
- Non-collinear vectors in fold2bloch [SOLVED]
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- Conversion of default unit of DOS to states/eV [SOLVED]
by Seba Darshan » Wed Jun 03, 2015 6:55 pm - 4 Replies
- 2375 Views
- Last post by mverstra
Wed Jan 23, 2019 11:22 am
- Conversion of default unit of DOS to states/eV [SOLVED]
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- electronic contributions to energy
by ziggery » Tue Oct 16, 2018 11:01 am - 0 Replies
- 301 Views
- Last post by ziggery
Tue Oct 16, 2018 11:01 am
- electronic contributions to energy
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- The Unit for isovalue in cut3d [SOLVED]
by wangyongphysik » Mon Dec 24, 2012 11:58 am - 3 Replies
- 2918 Views
- Last post by ckunka
Wed May 16, 2018 5:52 pm
- The Unit for isovalue in cut3d [SOLVED]
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- Units for _DEN and .xsf from cut3d [SOLVED]
by ckunka » Tue May 15, 2018 11:15 pm - 1 Replies
- 934 Views
- Last post by ckunka
Wed May 16, 2018 5:51 pm
- Units for _DEN and .xsf from cut3d [SOLVED]
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- Missing output file with anaddb
by Jordan » Wed Aug 13, 2014 8:43 pm - 2 Replies
- 2991 Views
- Last post by micukix
Fri Apr 20, 2018 12:34 pm
- Missing output file with anaddb
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- Total energy of BiFeO3 for two space groups
by SAIDI » Thu Jan 09, 2014 5:24 pm
- 10 Replies
- 5581 Views
- Last post by ebousquet
Tue Mar 13, 2018 9:35 am
- Total energy of BiFeO3 for two space groups
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- Error running temperature_final.py
by ynwu » Fri Apr 28, 2017 6:07 pm - 2 Replies
- 1337 Views
- Last post by Markk786
Fri Mar 09, 2018 11:44 pm
- Error running temperature_final.py
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- not obtaining WFK file in .nc format
by westworld » Sun Jan 21, 2018 8:12 am
- 0 Replies
- 667 Views
- Last post by westworld
Sun Jan 21, 2018 8:12 am
- not obtaining WFK file in .nc format
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- XANES and Optic
by kaneod » Tue Mar 27, 2012 11:34 am - 2 Replies
- 2138 Views
- Last post by tan0814
Sun Oct 29, 2017 4:39 am
- XANES and Optic
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- Units of Interpolated Dynamical matrices from ifc_fourq.F90
by shane-m-omahony » Fri Oct 06, 2017 6:02 pm - 0 Replies
- 726 Views
- Last post by shane-m-omahony
Fri Oct 06, 2017 6:02 pm
- Units of Interpolated Dynamical matrices from ifc_fourq.F90
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- [anaddb] 77_ddb/sortph.F90 fails to connect branches
by t-nissie » Sat Jul 10, 2010 5:00 am - 4 Replies
- 3522 Views
- Last post by harada57
Wed Aug 09, 2017 10:29 am
- [anaddb] 77_ddb/sortph.F90 fails to connect branches
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- Problem with Wannier90 interface
by elchatz » Thu May 25, 2017 11:39 am - 1 Replies
- 978 Views
- Last post by elchatz
Tue May 30, 2017 6:50 pm
- Problem with Wannier90 interface
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- cut3d error when extracting wave functions from _WFK file
by boubacar » Sun May 07, 2017 5:49 pm - 6 Replies
- 1957 Views
- Last post by boubacar
Tue May 23, 2017 4:06 pm
- cut3d error when extracting wave functions from _WFK file
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- Bug fix of AbinitBandStructureMaker.py
by qnclqq » Sat Mar 18, 2017 6:02 pm
- 1 Replies
- 788 Views
- Last post by mverstra
Fri May 12, 2017 12:20 am
- Bug fix of AbinitBandStructureMaker.py
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- Running Python script APPA using locally installed Python2.7 [SOLVED]
by thanusit » Mon Sep 23, 2013 12:01 pm - 3 Replies
- 2711 Views
- Last post by gmatteo
Wed Mar 22, 2017 11:30 pm
- Running Python script APPA using locally installed Python2.7 [SOLVED]
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- Please tell me the file extension of Molekel format of cut3d
by anemonekgo » Sat Mar 11, 2017 8:18 pm - 1 Replies
- 874 Views
- Last post by anemonekgo
Tue Mar 21, 2017 7:47 am
- Please tell me the file extension of Molekel format of cut3d
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