[Pw_forum] third order anharmonic coefficients
Jonathan Breeze
breezejd at sbu.ac.uk
Fri May 16 15:44:22 CEST 2003
Dear PWScf users,
Does anyone have experience of calculating the third order anharmonic
coefficients? I have been trying in vain to calculate these for MgO
using the instructions in the user guide, but have not been able to
generate the files required (drho etc.). I posted two messages a while
ago, but have received no response. If anyone could be of assistance it
would be greatly appreciated. Even just to hear that success in this
endeavour is within reach!
Kind regards,
Jonathan Breeze
Centre for Physical Electronics and Materials
Faculty of Engineering, Science and Technology
South Bank University
103 Borough Road
London
SE1 0AA
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