[Pw_forum] Help, about the phonon calculation of GaN.

于海林 yuhailin_79 at 126.com
Mon Mar 16 06:43:39 CET 2015


Dear Jin Zelin,
Thank you very much! Now, I have some troubles when run dynmat.x. The error message is shown below.
 
     Program DYNMAT v.5.1 starts on 16Mar2015 at 13:25:57
     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote
     Parallel version (MPI), running on     1 processors
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine dynmat (1):
     reading input namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...
~

The input file of dynmat.x is shown here. Can you tell me the input file format of dynmat.x? Thanks in advance!
 
fildyn = 'GaN.dynG',
amass(1)= 14.0037,
amass(2)= 69.723,
asr = 'crystal',
 

Best Regards!
 
Yu Hailin
 


College of Physics & Electronic Enginerring,
Changshu Institute of Technology
China






 
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