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Dear QE users,</div>
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I am using pp.x in QE6.4 to calculate the DCD by DCD = C(ldh-gp) - C (ldh) -C (gp) . However the pp.x will stop without any error as follows:</div>
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<div> Program POST-PROC v.6.3 starts on 22Sep2019 at 14:54:26 <br>
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<div><br>
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<div> This program is part of the open-source Quantum ESPRESSO suite<br>
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<div> for quantum simulation of materials; please cite<br>
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<div> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br>
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<div> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);<br>
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<div> URL http://www.quantum-espresso.org", <br>
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<div> in publications or presentations arising from this work. More details at<br>
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<div> http://www.quantum-espresso.org/quote<br>
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<div><br>
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<div> Parallel version (MPI), running on 1 processors<br>
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<div><br>
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<div> MPI processes distributed on 1 nodes<br>
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<div> Reading header from file ldh-gp<br>
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<div> Reading data from file ldh-gp<br>
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<span> Reading data from file ldh</span>
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<div>The input file are </div>
<div><br>
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<div><span>&INPUTPP<br>
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<div>/<br>
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<div>&PLOT<br>
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<div> nfile = 3 ,<br>
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<div> filepp(1) ='ldh-gp',<br>
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<div> filepp(2) ='ldh',<br>
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<div> filepp(3) ='np-gp',<br>
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<div> weight(1) = 1.0,<br>
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<div> weight(2) = -1.0,<br>
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<div> weight(3) = -1.0,<br>
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<div> iflag = 3 ,<br>
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<div> output_format = 5 ,<br>
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<div> fileout='ldh-gp-dcd.xsf' ,<br>
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<div>/<br>
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<div><br>
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<div>1:</div>
<span></span></div>
<span></span><span>&INPUTPP<br>
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<div> outdir='',<br>
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<div> prefix='ldh-gp',<br>
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<div> filplot = 'ldh-gp'<br>
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<div> plot_num= 0<br>
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<div> spin_component=0<br>
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<div>/<br>
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<div>&PLOT<br>
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<div> nfile = 1 ,<br>
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<div> filepp(1) = 'ldh-gp' ,<br>
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<div> weight(1) = 1.0,<br>
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<div> iflag = 3 ,<br>
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<div> output_format = 5 ,<br>
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<div> fileout='ldh-gp.xsf' ,<br>
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<div>/<br>
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<div><br>
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<div>2:</div>
<div><span>&INPUTPP<br>
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<div> prefix= 'ldh'<br>
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<div> outdir= ''<br>
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<div> filplot = 'ldh'<br>
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<div> plot_num= 0<br>
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<div> spin_component=0<br>
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<div>/<br>
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<div>&PLOT<br>
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<div> nfile = 1 ,<br>
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<div> filepp(1) = 'ldh' ,<br>
</div>
<div> weight(1) = 1.0,<br>
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<div> iflag = 3 ,<br>
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<div> output_format = 5 ,<br>
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<div> fileout='ldh.xsf' ,<br>
</div>
<div>/<br>
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<span></span><br>
</div>
<div>3</div>
<div><span>&INPUTPP<br>
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<div> outdir='',<br>
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<div> prefix='gp',<br>
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<div> filplot = 'np-gp'<br>
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<div> plot_num= 0<br>
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<div> spin_component=0<br>
</div>
<div>/<br>
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<div>&PLOT<br>
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<div> nfile = 1 ,<br>
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<div> filepp(1) ='np-gp',<br>
</div>
<div> weight(1) = 1.0,<br>
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<div> iflag = 3 ,<br>
</div>
<div> output_format = 5 ,<br>
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<div> fileout='np-gp.xsf' ,</div>
<span>/</span><br>
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<span></span><br>
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Thanks</div>
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Clarence </div>
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City University of Hong Kong</div>
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