[QE-users] Calculate the phonon with breakdown with "from read_scf : error # 1 Reading PAW becsum"

zhenqing li liangzisuanfu at gmail.com
Wed Aug 4 10:16:47 CEST 2021


Dear all,
I want to calculate the phonon with different pseudo potential,
and the pseudo potential C_3.98148.UPF is ok
but the  pseudo potential C.pbesol-n-kjpaw_psl.1.0.0.UPF is breakdown with
the information
"
     from read_scf : error #         1
     Reading PAW becsum
"
all the input information is the same for scf.in and ph.in, except the
pseudo potential.

QE version
Program PHONON v.6.7MaX
Compilation information
1) MKL/17.0.4                  2) Intel_compiler/17.0.4       3)
MPI/Intel/IMPI/2017.3.196

the input and output file
https://expirebox.com/ELXf3

zhenqing Li
Tsinghua university
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