Hi community, I am using version 7.1 for my thermal conductivity calculations, and I came across this document where it says that the output files from this calculation should also have file with _P_sma and _C that contains phonon contribution and coherent contributions, but I do not see those files in my output. Do you have any suggestions on what am I missing on my input file to get these outputs printed?
Sincerely, Roshan Sameer Annam Co-Chair - GSC@GCOE Graduate Teaching and Research Assistant - Micro/Nano Heat Transfer Lab School of Aerospace and Mechanical Engineering University of Oklahoma
&tkinput calculation = 'sma' prefix="ReAlSi" file_mat2 = './ReAlSi.ifc2' file_mat3 = './mat3R.asr' outdir= './' asr2 = 'simple' store_lw=.true. nconf = 11 nk= 20,20,8 nk_in = 20,20,8 casimir_scattering=.false. niter_max = 6 thr_tk = 1.d-4 sample_length_mu = 1.5 sample_dir=0 / CONFIGS 5.0 50 100 200 300 400 500 600 700 800 900 1000
_______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users