Next: 19 How do I
Up: Tutorial for the Thermo_pw
Previous: 17 How do I
Contents
Use what='mur_lc_t'. See example09. Note that
for this option you need to give also the ph.x input.
For anisotropic solids you need to specify lmurn=.FALSE.,
otherwise you calculate only the volume as a function of temperature
varying celldm(1) but keeping all the other crystal parameters
constant. The crystal parameters are plotted as a function of temperature
in the standard temperature range if not given in input, in the file
output_anharm.ps for cubic solids and
output_anharm.ps_celldm for anisotropic
solids if the name of the postscript file is not given in input.
2018-04-03