ttadano/alamode issues and pull requests

#149 - Anharmonic IFCs

Issue - State: open - Opened by chunweizhu about 1 year ago

#136 - structural optimization based on SCPH and QHA.

Pull Request - State: closed - Opened by r-masuki over 1 year ago

#130 - SPGLIB Root Question

Issue - State: closed - Opened by ejmeitz over 1 year ago - 3 comments

#125 - Tested

Pull Request - State: closed - Opened by ttadano over 1 year ago

#124 - element.xu mode is added and displacement is forced to [-0.5,0.5] assuming…

Pull Request - State: open - Opened by nim-hrkn over 1 year ago

#115 - fatal error: niggli_wrapper.h: No such file or directory

Issue - State: closed - Opened by nim-hrkn almost 2 years ago - 2 comments

#112 - HDF5 integration

Issue - State: open - Opened by ttadano almost 2 years ago
Labels: enhancement

#111 - BTE: iterative solution

Issue - State: open - Opened by ttadano almost 2 years ago
Labels: enhancement

#110 - Make supercell internally

Issue - State: open - Opened by ttadano almost 2 years ago
Labels: enhancement

#109 - Niggli reduction

Issue - State: open - Opened by ttadano almost 2 years ago - 1 comment
Labels: enhancement

#108 - segmentation fault with LAMMPS

Issue - State: closed - Opened by marcelclaro almost 2 years ago - 5 comments

#91 - force constants in ShengBTE format

Issue - State: closed - Opened by ybC007 about 2 years ago

#87 - supply arguments which are used as global variables in functions in t…

Pull Request - State: closed - Opened by nim-hrkn about 2 years ago

#84 - accept element xu yu yz for aiida-lammps

Pull Request - State: closed - Opened by nim-hrkn about 2 years ago

#77 - Irreducible representation

Issue - State: closed - Opened by ybC007 about 2 years ago - 1 comment

#75 - Eigenvector of PbTiO3 cubic phase calculation with LO-TO splitting

Issue - State: closed - Opened by Herb022 over 2 years ago - 2 comments

#74 - calculate phonon lifetime by analyze_phonons.cpp

Issue - State: closed - Opened by ybC007 over 2 years ago

#73 - Si_LAMMPS example not working

Issue - State: closed - Opened by moritzgubler over 2 years ago - 1 comment

#72 - MPI+OpenMP hybrid parallelization

Issue - State: closed - Opened by ybC007 over 2 years ago - 2 comments

#62 - ALAMODE aiida implrementation

Issue - State: open - Opened by nim-hrkn over 2 years ago

#61 - Error and warning messages without a new line

Issue - State: closed - Opened by nim-hrkn over 2 years ago

#59 - cartesian coordiates in the imput format

Issue - State: open - Opened by nim-hrkn over 2 years ago - 1 comment

#58 - tools/makedisp_qe.py

Issue - State: closed - Opened by nim-hrkn almost 3 years ago - 2 comments

#57 - Si Tutorial typo

Issue - State: closed - Opened by nim-hrkn almost 3 years ago - 1 comment

#55 - states length of Dos

Issue - State: closed - Opened by bbuenim almost 3 years ago - 1 comment

#50 - 'std::bad_alloc' Error

Issue - State: closed - Opened by abhirup86 almost 3 years ago - 11 comments

#49 - Features/permutation symmetry

Pull Request - State: closed - Opened by r-masuki almost 3 years ago - 1 comment

#48 - ERROR in get_var_dict. MESSAGE: Unacceptable format

Issue - State: closed - Opened by tawe141 almost 3 years ago - 2 comments

#46 - update for transport branch

Pull Request - State: closed - Opened by whzhangg almost 3 years ago - 2 comments

#45 - ERROR in findsym_spglib

Issue - State: closed - Opened by yxf0125 about 3 years ago - 4 comments

#44 - Setting OMP_NUM_THREADS greater than 1 causes SCPH to stop converging for low compiler optimisation levels

Issue - State: closed - Opened by jonathanhunt-uoe about 3 years ago - 1 comment

#43 - Missing parameters in tutorial for displace.py

Issue - State: closed - Opened by tawe141 about 3 years ago - 1 comment

#42 - Displacing specific atoms

Issue - State: closed - Opened by tawe141 about 3 years ago - 2 comments

#39 - Displace.py error: list assignment index out of range

Issue - State: closed - Opened by shamanX86 about 3 years ago - 2 comments

#35 - Symmetry in bubble correction

Issue - State: closed - Opened by utf about 3 years ago - 4 comments

#18 - Issue creating renormalized HA FCs

Issue - State: closed - Opened by fatimah-ma over 3 years ago - 1 comment

#17 - fc in phono3py format

Issue - State: open - Opened by alinelena over 3 years ago - 2 comments

#13 - How to generate displaced configurations for charge style in LAMMPS?

Issue - State: closed - Opened by JWCheys over 4 years ago

#12 - solve BTE on top of scph solution

Issue - State: closed - Opened by zhibingao almost 5 years ago - 1 comment

#11 - symmetry prefactor 0 and wrong symmetry

Issue - State: closed - Opened by whzhangg almost 5 years ago - 8 comments

#10 - ALAMODE for low dimensional materials

Issue - State: closed - Opened by zhibingao about 5 years ago - 2 comments

#9 - loading force from DFPT

Issue - State: closed - Opened by whzhangg about 5 years ago - 2 comments

#8 - problem compiling with Intel compiler

Issue - State: closed - Opened by asubedi over 5 years ago - 3 comments

#7 - Interface to OpenMX

Pull Request - State: closed - Opened by TnakaTnakaTnaka over 6 years ago - 1 comment

#6 - Symmetry search has problems on 3x3x3 supercell

Issue - State: closed - Opened by jochym almost 7 years ago - 6 comments

#5 - Acoustic sum rule broken when NONANALYTIC=3

Issue - State: closed - Opened by ttadano almost 7 years ago - 1 comment
Labels: bug

GitHub / ttadano/alamode issues and pull requests