Dear sir ,<br>Thanks , I successfully made a UPF format,  Please have a look on the wave functions i include. Is these correct ????<br><br>[dev@dev try1]$ /home/dev/espresso-4.0.2/upftools/fhi2upf.x  39-Y.LDA.fhi<br>read_fhi: assuming abinit format<br>
Pseudopotential without NLCC successfully read<br>Wavefunction # 1: label, occupancy > 5S. 2<br>Wavefunction # 2: label, occupancy > 5p, 0<br>Wavefunction # 3: label, occupancy > 4d, 1<br>Wavefunction # 4: label, occupancy > 4f, 0<br>
Pseudopotential successfully converted<br>Output PP file in UPF format :  39-Y.LDA.fhi.UPF<br><br>Please have a look. Thanks<br>Yours sincerely,<br>Dev ,<br>University of Delhi,<br>India<br><br><div class="gmail_quote">On Sun, Oct 11, 2009 at 12:34 AM, Lorenzo Paulatto <span dir="ltr"><<a href="mailto:paulatto@sissa.it">paulatto@sissa.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="im"><br>
On Sat, October 10, 2009 20:58, dev sharma wrote:<br>
>  /home/dev/espresso-4.0.2/upftools/fhi2upf.x  <39-Y.LDA.fhi> 39-Y.LDA.UPF<br>
<br>
</div>Dear Dev,<br>
fhi2upf does not work like that. The correct syntax is:<br>
 /whatever/fhi2upf.x 39-Y.LDA.fhi<br>
which would create 39-Y.LDA.fhi.UPF<br>
<br>
regards<br>
<br>
--<br>
Lorenzo Paulatto<br>
SISSA  &  DEMOCRITOS (Trieste)<br>
phone: +39 040 3787 511<br>
skype: paulatz<br>
www:   <a href="http://people.sissa.it/%7Epaulatto/" target="_blank">http://people.sissa.it/~paulatto/</a><br>
<br>
<br>
<br>
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</blockquote></div><br>