Hi there, I am trying to perform a 'relax' calculation for a supercell containing 16 atoms. I checked it carefully. The error appears in output file :
Program PWSCF v.5.2.0 starts on 30Aug2018 at 22:15:48
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 16 processors
R & G space division: proc/nbgrp/npool/nimage = 16
Waiting for input...
Reading input from standard input
Warning: card &CELL ignored
Warning: card / ignored
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine card_atomic_positions (1):
Error while parsing atomic position card.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
[eval_infix.c] A parsing error occurred
helper string:
0.
error code:
Error: invalid token:
I am attaching the input file. Please help me pointing out the error.
relax.in
Description: Binary data
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