[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

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