[Thermo_pw-forum] (no subject)

Barnali Bhattacharya barnalidgbhatt at gmail.com
Wed Jan 6 07:35:20 CET 2016


Dear sir/madam,
 I want to calculate elastic properties of graphene using thermo_pw.  For
this I have made input file 'thermo_control' and 'gra.elastic.in'.  I have
submitted the job by using the command-
"mpirun -np 2 /home/Utpal/apps/espresso/espresso-5.2.1/bin/thermo_pw.x

but the job running for three days and yet not completed. Here  I have
attached the input file. Could anyone please tell me is this input file is
correct?

Thanking you

Barnali Bhattacharya
Ph.D student, Department of Physics
Assam University
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