<div dir="ltr"><div><div><div><div><div><br clear="all"></div>hello QE and xcrysden user<br></div>i am opening my input file with xcrysden but xcrysden not open my input file . but output file is open with it. when i open my input file this error information occur<br>
<br></div>at line 327 of file pwi2xsf.f<br></div>fortran run time error: End of file<br><br></div>i installed XCrySDen-1.5.24-bin-semishared in my laptop. my input file is this<br><br><div><div>&control<br> calculation = 'relax'<br>
restart_mode='from_scratch',<br> prefix='mg2si',<br> tstress= .true.,<br> tprnfor = .true.<br> pseudo_dir = '.'<br> outdir='temp'<br> /<br>&system<br> ibrav= 2, <br>
celldm(1) =11.9996976,<br> nat= 3, <br> ntyp= 2,<br> ecutwfc =45.D0, <br> ecutrho=250.D0,<br> /<br>&electrons<br> conv_thr = 1.D-8<br> mixing_mode = 'plain',<br> mixing_beta = 0.5D0<br> diagonalization= 'cg'<br>
/<br>&IONS<br> ion_dynamics= 'bfgs'<br> <br>/<br>ATOMIC_SPECIES<br>Mg 24.30 Mg.pbe-mt_fhi.UPF<br>Si 28.08 Si.pbe-mt_fhi.UPF<br>K_POINTS (automatic)<br> 4 4 4 1 1 1<br><br>ATOMIC_POSITIONS (alat)<br>
Si 0.000000 0.000000 0.00000000 0 0 0<br>Mg 0.250000 0.250000 0.25000000 1 1 1<br>Mg 0.250000 0.250000 0.7500000 1 1 1 <br><br></div><div>plz tell me where is problem in my input file?<br>
</div><div><div><div><div>-- <br><div dir="ltr"><div>Regards<br></div>kulwinder kaur<br></div>
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