[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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