Accuracy ######## EPW accuracy on various quantities ================================== Some physical quantities are more sensitive to numerical instabilities than other. Below is a list of quantities tested by the EPW Test Farm and their related accuracies. Note that this is an upper bounds and show the maximum variation on a quantity due to different compiler, hardware, libraries, level of optimization and parallelism. ================================= ============== ===================== ====================== =========================== ====== Physical quantity Absolute error Relative error [in %] Benchmark value Slave Note ================================= ============== ===================== ====================== =========================== ====== DOS 0.00001 0.001 stable Eigenenergy (eV) 0.001 0.5 -0.0219 (epw_soc) EPW-farmer_gcc485 stable Re[Sigma] (meV) 0.02 2.0 -982.600493 (epw_soc) EPW-farmer_gcc485 stable Im[Sigma] (meV) 0.04 0.04 1858.014377 (epw_soc) EPW-farmer_gcc485 stable Z 0.08 0.08 -11.665563 (epw_soc) EPW-farmer_gcc485 stable PH lamda (lambda) 0.00001 0.001 stable PH lamda (lambda_tr) 0.00001 0.01 stable El lamda (lam) 0.00001 3.0 -0.00015 (epw_base) EPW-farm2_pgi15 stable Integrated lamda 0.0001 0.02 0.6690848 (epw_soc) EPW-farm2_pgi15 stable Integrated lamda TR 3 100.0 2.7783115 (epw_soc) EPW-farm2_intel13 bug Ph gamma (meV) 0.008 900 -0.001178 (epw_soc) EPW-farm2_intel13 stable Ph freq (meV) 0.005 0.05 104.4255 (epw_trev) desktop stable logavg for Tc 0.00001 0.2 0.005807 (epw_trev) EPW-farmer4_gcc485_openblas stable l_a2F for Tc 0.001 0.2 0.0838588 (epw_trev) EPW-farm2_intel13 stable Fermi level (eV) 0.00001 0.001 stable lambda_max 0.0005 0.01 5.164161 (epw_super) desktop stable lambda_k_max 0.0001 0.01 1.510491 (epw_super) desktop stable Electron-phonon coupling strength 0.0005 0.05 0.939445 (epw_super) desktop stable Allen-Dynes Tc (K) 0.02 0.05 31.8408371 (epw_super) EPW-farm2_intel13 stable BCS superconducting gap 0.0001 0.05 0.0048291 (epw_super) EPW-farm2_intel13 stable ================================= ============== ===================== ====================== =========================== ====== The Benchmark value is the value from the tests that lead to the largest error. In parenthesis is the name of the test from the test suite. If you want to run the test yourself, you can do so by going to ``cd espresso/test-suite/`` Then type ``make prolog`` to generate the userconfig file. You can then run an epw test in sequential by doing ``make run-custom-test testdir=epw_base`` and in parallel by doing ``make run-custom-test-parallel testdir=epw_base``