[Pw_forum] error with GIPAW calculation, stops reading at Computing the magnetic susceptibility , k-point # 1 of 1 pool # 1

Yong Xue yongx837 at gmail.com
Fri May 17 02:58:24 CEST 2013


Dear all:
I am doing GIPAW
After the scf calculation. then GIPAW calculation stops reading at at
Computing the magnetic susceptibility ,  k-point #    1 of     1      pool
#  1

Here is my input

 &inputgipaw
        job = 'nmr'
        tmp_dir = './scratch/'
        prefix = 'CO2-H2'
        q_gipaw = 0.01
        isolve=1
        spline_ps = .true.
        use_nmr_macroscopic_shape = .true.
/
~
~
~
thanks
Xue
Ms. Xue  Yong(雍雪)
Department of Physics and Engineering Physics
University of Saskatchewan
116 Science Place
Saskatoon, SK S7N 5E2
Canada
Tel: +1 306 261 2369
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