Hello, I would like to run a charge difference calculation but the calculation fails. I am using the input file as given below:
&inputpp / &plot nfile=3, filepp(1)="charge.whole", filepp(2)="charge.surf", filepp(3)="charge.mol", weight(1)=1, weight(2)=-1, weight(3)=-1, iflag=3, output_format=5, fileout="eth_bind_au_ni.xsf" / It gives an error file as: Image PC Routine Line Source pp.x 00000000009685B7 Unknown Unknown Unknown pp.x 00000000009661D7 Unknown Unknown Unknown pp.x 000000000088316E read_io_header_ 119 plot_io.f90 pp.x 000000000040C584 chdens_ 236 chdens.f90 pp.x 0000000000406463 MAIN__ 44 postproc.f90 pp.x 0000000000405CB6 Unknown Unknown Unknown libc.so.6 00000039D281D994 Unknown Unknown Unknown pp.x 0000000000405BB9 Unknown Unknown Unknown I have checked the charge files and did not recognize any problem. I have tried Quantum Espresso version 5.1 and 5.3.0. Both produce the same error file. How can i get rid of this problem ? Regards, Ozan Dernek, Msc. Student Middle East Technical Univesity, Turkey
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