<P>
<BR>
<BR>
Dear all<BR>
<BR>
i want to convert the pseudopotential from abinit form to pwscf form. i used the executable fhi2upf.x. it asked (wavefunction 1,2,3 and 4) label and occupancy <BR>
<BR>
print '(&quot;Wavefunction # &quot;,i1,&quot;: label, occupancy &gt; &quot;,$)', i<BR>
&nbsp; &nbsp;  read (5,*) els(i), oc(i)<BR>
&nbsp; &nbsp;  nns (i)&nbsp; = 0<BR>
&nbsp; &nbsp;  lchi(i)&nbsp; = i-1<BR>
&nbsp; &nbsp;  rcut(i)&nbsp; = 0.0d0<BR>
&nbsp; &nbsp;  rcutus(i)= 0.0d0<BR>
&nbsp; &nbsp;  epseu(i) = 0.0d0<BR>
<BR>
i compared with the available UPF format and it should be nl and occupancy but how to feed it???????<BR>
<BR>
with regards<BR>
K. Ramesh Kumar<BR>
Research scholar <BR>
Department of physics<BR>
IIT Madras<BR>
Chennai-600036
</P>
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