[QE-users] error from fqha.x

sha.liu sha.liu at imdea.org
Sun Jan 26 22:23:37 CET 2020


Dear developers and users,

I am using QE to calculate the thermodynamic properties. I already 
calculated the phonon dos. Now I want to used the dos to calculated the 
vibrational entropy. The program seems to be fqha.x. While, I don't know 
what is the input file of fqha.x. The dos file only containing frequency 
and total dos? I use this as the input data, and write the input file 
like:


fqha.phdos # this is dos file
0          # these are temperature
250
500
750
1000



and run like: fqha.x -in *in > qha.out. It stopped and the screen output 
is:

At line 22 of file fqha.f90 (unit = 5, file = 'stdin')
Fortran runtime error: End of file

Error termination. Backtrace:
At line 22 of file fqha.f90 (unit = 5, file = 'stdin')
Fortran runtime error: End of file

Error termination. Backtrace:
At line 22 of file fqha.f90 (unit = 5, file = 'stdin')
Fortran runtime error: End of file

Error termination. Backtrace:
#0  0x7f23872652da in ???
#1  0x7f2387265ec5 in ???
#2  0x7f238726668d in ???
#3  0x7f23873dca33 in ???
#4  0x7f23873dd01a in ???
#5  0x7f23873d9bff in ???
#6  0x7f23873de52c in ???
#7  0x7f23873df4bc in ???
#8  0x55f8ebd6ad95 in fqha
	at /home/liusha/Downloads/q-e-qe-6.3/PHonon/PH/fqha.f90:22
#9  0x55f8ebd6ab6e in main
	at /home/liusha/Downloads/q-e-qe-6.3/PHonon/PH/fqha.f90:85
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
At line 22 of file fqha.f90 (unit = 5, file = 'stdin')
Fortran runtime error: End of file

Error termination. Backtrace:
#0  0x7efff13c82da in ???
#1  0x7efff13c8ec5 in ???
#2  0x7efff13c968d in ???
#3  0x7efff153fa33 in ???
#4  0x7efff154001a in ???
#5  0x7efff153cbff in ???
#6  0x7efff154152c in ???
#7  0x7efff15424bc in ???
#8  0x55b18ff93d95 in fqha
	at /home/liusha/Downloads/q-e-qe-6.3/PHonon/PH/fqha.f90:22
#9  0x55b18ff93b6e in main
	at /home/liusha/Downloads/q-e-qe-6.3/PHonon/PH/fqha.f90:85


The qha.out is :

File containing the dos >>> File containing the dos >>> File containing 
the dos >>> File containing the dos >>>


Could help me?

Best regards,
Sha


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