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<DIV><FONT face=Arial size=2>Dear all,</FONT></DIV>
<DIV><FONT face=Arial size=2>I want to calculate electronic structure of Nd(OH)3
and already experienced problems in generating the structure file. I used struct
gen in w2web interface, giving the structural data in appropriate boxes.
However, when I click set authomatic rmt radii, the response of the programme
for Nd atom is 0.00. The structural data are as follows:</FONT></DIV>
<DIV><FONT face=Arial size=2>s.g. 176, a= 6.418 A, c=3.743 A, gamma=120 deg,
Z=2</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Nd (0.333 0.667 0.25) at 2c</FONT></DIV>
<DIV><FONT face=Arial size=2>O (<FONT size=2>0.3923 0.3108 0.25) at
6h.</FONT></FONT></DIV>
<DIV><FONT face=Arial size=2>Moreover, the multiplicity generated by the
programme for Nd site equals to 6 instead of 2.</FONT></DIV>
<DIV><FONT face=Arial size=2>Any help is appreciated.</FONT></DIV>
<DIV><FONT face=Arial size=2>Regards,</FONT></DIV>
<DIV><FONT face=Arial size=2>Igor</FONT> </DIV>
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