[Pw_forum] Input file shows diffrent structure in xcrysden.

[Mohammed Ghadiyali]

Hi everybody,
I have created a input file for pw.x (posted below)
&control    calculation = 'scf',    restart_mode='from_scratch',    pseudo_dir = '/home/material/Desktop/espresso-5.1/pseudo/',    outdir='/home/material/Desktop/espresso-5.1/',    prefix = 'he',    verbosity = 'high' / &system    ibrav =  2,     celldm(1) = 8.0162,    nat =  14,     ntyp = 1,    ecutwfc = 153, / &electrons    conv_thr = 1.0e-8    mixing_beta = 0.7 /
ATOMIC_SPECIES He 3  He.blyp-hgh.UPF
ATOMIC_POSITIONSHe    0.000000    0.000000    0.000000He    0.000000    0.000000    4.242000He    0.000000    4.242000    0.000000He    0.000000    4.242000    4.242000He    4.242000    0.000000    0.000000He    4.242000    0.000000    4.242000He    4.242000    4.242000    0.000000He    4.242000    4.242000    4.242000He    0.000000    2.121000    2.121000He    4.242000    2.121000    2.121000He    2.121000    0.000000    2.121000He    2.121000    4.242000    2.121000He    2.121000    2.121000    0.000000He    2.121000    2.121000    4.242000
K_POINTS (automatic)  4 4 4 1 1 1

the problem is that the atomic representation in programs like VESTA and Avogadro is same  but the representation in the xcrysden is completely different. Can any one help me out.
Ghadiyali Mohammed Kader,University of Mumbai 		 	   		  
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