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Forum moved to https://discuss.matsci.org/c/pymatgen

Hello, We’ve decided to consolidate several discussion forums into a common shared space to be used by several research groups and materials science codes. Please find the new pymatgen discussion forum at: https://disc…

3 November 8, 2019
Releases & Announcements

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11 October 2, 2019
Welcome to Pymatgen 1 February 12, 2019
Newbie here, problems with Structure class methods (‘Structure’ object has no attribute ‘find_primitive_structure’) 2 November 6, 2019
Get unique bonds / bond lengths 4 October 29, 2019
Output SymmetrizedStructure Data 2 October 10, 2019
SymmetrizedStructure cannot be copied 2 October 7, 2019
MP-Advanced Correction value for Fe oxides 1 October 4, 2019
Custodian via Conda 4 September 24, 2019
MP Advanced correction 4 September 18, 2019
Error when execute pmg analyze 2 September 18, 2019
How to cut surfaces with different atoms termination? 5 September 11, 2019
How to get vasp INCAR 1 September 9, 2019
How to get total dos 3 September 6, 2019
Use of get_element_profile with CompoundPhaseDiagram 5 August 28, 2019
Atomic-site potential 3 August 21, 2019
Elastic Tensor - diff_fit 4 August 6, 2019
How to build an interface between two solid by using pymatgen 2 August 6, 2019
numpy.ufunc has the wrong size, try recompiling. Expected 192, got 216 4 July 18, 2019
How to plot hybrid functional band structure 2 July 16, 2019
Elastic constants 2 June 25, 2019
Get_fermi Function 1 April 10, 2019
Enumeration error 4 May 16, 2019
can we get voltage profile from interface reaction? 1 May 12, 2019
How to check for melting in AIMD calculation 3 May 3, 2019
Coordination environments 5 April 29, 2019
How to get the coordination number 4 April 28, 2019
Run type method error 7 April 21, 2019
Wulff construction write to xyz file 8 April 19, 2019
How to get an orthogonal basis after applying Slabgenerator to an hex. basis structure ? 9 April 15, 2019