[Wien] Lattice Thermal Conductivity and Phonon dispersion

2017-05-01 Thread yasir javed
thermal conductivity from that ?? Kindly guide me. Thanks Regards Yasir Javed (Doctorate student, PIEAS Pakistan) ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST

[Wien] Phonon Density of States

2017-01-12 Thread yasir javed
the phonon density of states using WIEN2k? 3- Is there any other package need to be installed? If so kindly guide me to the installation and usage of that. Thanking you in anticipation. Waiting for your helpful comments. (Yasir Javed) Doctoral student Pakistan Institute of Engineering and Applied Sciences

[Wien] Elastic Constants of Trigonal Systems

2016-09-21 Thread yasir javed
systems. I have used the hexagonal package but I have obtained quite large values for one constant and very large negative values for another. One of the plot also shows oscillations and it is not correct. Kindly guide me. Regards Yasir Javed Department of Metallurgy and Materials Engineering