Phonopy4.8.3: actualSi16 VASP6.6.1DFPT numeric force constants, native mass/symmetry/irreps/modulation/XYZ/tensor/CIF/moment/quantum-classical examples.
In a new ordinary-user directory with Phonopy4.8.3 available: bash run.sh
15nativecalls plus independent numerical checks and3scientificfigures. No newDFT launched, noPOTCAR/binary/completeengineoutput.
Source actual450eV,EDIFF1e-6,IBRION8,electron2x2x2. Rawforceconstants, noASR/sym/clipping.
Ordered2site masses are not randomisotope disorder; animation amplitudes are chosen visualization, notthermal; nativeXYZ4.8.3 headerf useslambda instead ofsqrtlambda and is not thephysicalfrequency. Actual Gammafrequency fromirreps15.3899537372THz. XYZ standardcellrotationpreserved.
Thermalmatrices cartesian versusnonorthogonalCIF differ; YAML5decimaldisplay, analysisCSV/NPZfullprecision. fmin0.1THz excludes3Gammaacoustic on8^3mesh, so classicalCv49.8381172 slightlybelow6R. Cvper molSi2.
