Dear QEusers, I am using QE 6.5 and got dispersion curve but it gives error in calculating phonon dos pls check input, if there is any error
&input asr = 'simple', dos = '.true.', amass(1) = 51.99, amass(2) = 28.08, amass(3) = 58.69, flfrc = 'NiCrSi.fc', fldos = 'NiCrSi.phdos', nk1 = 8, nk2 = 8, nk3 = 8, / --------------------------------------------------------------------- Dr. Sohail Ahmad Department of Physics Faculty of Science, P. O. Box - 9004 King Khalid University Abha, Saudi Arabia -------------------------------------------------------------------- _______________________________________________ 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
