Dear QE users and experts,
I am doing SOC calcualtion with relativistic
pseudopotentials using quantum espresso 5.4.0. But the projwfc.x for Pdos
is exiting without any crash file. the output for pdos is shown below. Any
idea about this problem will be very helpful.
file Mo.rel-pbe-spn-kjpaw_psl.0.2.UPF: wavefunction(s) 4D 4D
renormalized
file S.rel-pbe-n-kjpaw_psl.0.1.UPF: wavefunction(s) 3P 3P
renormalized
file Si.rel-pbe-n-kjpaw_psl.0.1.UPF: wavefunction(s) 3S
renormalized
file C.rel-pbe-n-kjpaw_psl.0.1.UPF: wavefunction(s) 2P 2P
renormalized
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 47 47 15 6153 6153 1063
Max 48 48 16 6190 6190 1090
Sum 379 379 121 49325 49325 8601
Check: negative/imaginary core charge= -0.000016 0.000000
negative rho (up, down): 7.062E-03 0.000E+00
Gaussian broadening (read from input): ngauss,degauss= 1 0.009000
Calling projwave_nc ....
Thank You,
A.Khan
M.phil Research Student
Hazara University
Pakistan
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