CIF2Cell Discussion

Generating cells for electronic structure calculations from CIF files

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Issues installing cif2cell By Jehyeok Ryu on Sun Feb 19, 2023 08:36 AM	1	629	By Jehyeok Ryu on Sun Feb 19, 2023 08:36 AM
Issue with Windows download/cif2cell command not working By Ben Rhodes on Wed Jan 26, 2022 05:36 PM	1	513	By Ben Rhodes on Wed Jan 26, 2022 05:36 PM
Can we create an orthogonal cell in cif2cell By Anju Chandran on Wed Sep 22, 2021 12:51 PM	1	249	By Anju Chandran on Wed Sep 22, 2021 12:51 PM
Help with generating translated xyz file By Erdong Lu on Thu Feb 25, 2021 05:09 AM	5	651	By Erdong Lu on Fri Feb 26, 2021 10:44 PM
Error generating pwscf input file with cif2cell program By Tee on Wed Aug 05, 2020 08:54 PM	1	358	By Tee on Wed Aug 05, 2020 08:54 PM
Generating input files from the cif file downloaded from material pro... By Rabeet on Tue Mar 10, 2020 06:03 PM	5	905	By Amir Behbahanian on Thu Jul 02, 2020 09:33 PM
An problem record when run cif2cell to generate CASTEP .cell file fro... By Bingbing Zhang on Tue Nov 05, 2019 03:58 AM	1	610	By Bingbing Zhang on Tue Nov 05, 2019 03:58 AM
release on pypi By Leopold Talirz on Wed Dec 12, 2018 04:27 PM	1	338	By Leopold Talirz on Wed Dec 12, 2018 04:27 PM
calculated densities are not correct By Dr. R. Rajaraman on Fri Nov 16, 2018 08:48 AM	1	214	By Dr. R. Rajaraman on Fri Nov 16, 2018 08:48 AM
Help with the orientation (rotation) for creating a specific surface By Christoph Wolf on Thu Aug 02, 2018 03:50 AM	5	1208	By Christoph Wolf on Tue Aug 07, 2018 01:33 AM
***Error: cell setup: CIF file contains neither space group symbols n... By SHIVAM on Thu Apr 26, 2018 02:33 PM	4	1510	By Dawei Guo on Fri May 11, 2018 05:25 PM
getting started By Geoffrey Wood on Thu Jul 13, 2017 12:46 PM	4	1829	By Torbjörn Björkman on Mon Apr 16, 2018 08:21 PM
ERROR WHEN USING CIF2CELL By Jack shi on Sun Apr 15, 2018 10:19 PM	3	664	By Jack shi on Mon Apr 16, 2018 11:23 AM
CIF2CELL error By Jack shi on Sun Apr 15, 2018 09:59 PM	1	357	By Jack shi on Sun Apr 15, 2018 09:59 PM
Unable to run cif2cell By Piyush Kumar on Wed Aug 05, 2015 02:01 PM	7	3123	By Albert Bartok-Partay on Thu Feb 01, 2018 04:11 PM
Error: Anatase strucutre cif2 FHI-aims By GXZ on Wed Apr 05, 2017 07:40 AM	5	581	By GXZ on Thu Apr 06, 2017 05:37 AM
linear scaling of structures (i.e., scaling lattice params in cif files) By Abrar Quadery on Tue Feb 14, 2017 07:05 PM	1	285	By Abrar Quadery on Tue Feb 14, 2017 07:05 PM
titanite P2(1)/A - prblems with the CRYSTAL input By Dmitry Krylov on Fri Jan 06, 2017 10:47 AM	2	333	By Torbjörn Björkman on Mon Jan 30, 2017 10:18 AM
<< ImportError: No module named site >> By hatuey on Tue Dec 06, 2016 12:22 PM	1	822	By hatuey on Tue Dec 06, 2016 12:22 PM
Rotation of cell By Abrar Quadery on Fri Nov 04, 2016 09:48 AM	4	1038	By Abrar Quadery on Fri Nov 04, 2016 08:18 PM
orientation of a, b, c wrt cartesian axes By Abrar Quadery on Wed Nov 02, 2016 09:43 PM	1	294	By Abrar Quadery on Wed Nov 02, 2016 09:43 PM
incorrect coesite structure By Abrar Quadery on Wed Nov 02, 2016 08:50 PM	3	322	By Abrar Quadery on Wed Nov 02, 2016 09:37 PM
system alloy By Dmitry Krylov on Sat Jul 02, 2016 12:57 PM	4	947	By Dmitry Krylov on Tue Jul 12, 2016 06:39 PM
attribute error for any cif file By Lee Burton on Thu Jun 16, 2016 05:06 AM	6	1158	By Lee Burton on Fri Jun 24, 2016 04:28 AM
Create a pwscf input from cif By Lorenzo Dona on Sat Jun 04, 2016 12:28 PM	2	1396	By Torbjörn Björkman on Sat Jun 04, 2016 04:07 PM

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