<div id=":9k" class="ii gt"><div id=":9l"><div><div style="color:#000;background-color:#fff;font-family:times new roman, new york, times, serif;font-size:12pt"><div><span lang="en"><span><br>subject:<var></var>Conversion pseudopotential file with fhi or hgh format to upf format for using in quantum espresso package in suse 11 linux.<br>
Hi.<br></span></span></div>
<div><span lang="en"><span>I am performing t<span lang="en"><span>he following steps:</span></span></span></span></div>
<div><span lang="en"><span><span lang="en"><span>1.open terminal</span></span></span></span></div>
<div><span lang="en"><span><span lang="en"><span>2.run executable file such as fhi2upf.x</span></span></span></span></div>
<div><span lang="en"><span><span lang="en"><span><span lang="en"><span>3.input file:</span></span></span></span></span></span></div>
<div><span lang="en"><span><span lang="en"><span><span lang="en"><span>4.type name of input file such as 80.Hg.LDA.fhi</span></span></span></span></span></span></div>
<div><span lang="en"><span><span lang="en"><span><span lang="en"><span>5.error:</span></span></span></span></span></span></div>
<div><span lang="en"><span><span lang="en"><span><span lang="en"><span>read-fhi: assuming abinit format</span></span></span></span></span></span></div>
<div><span lang="en"><span><span lang="en"><span><span lang="en"><span>at line 100 of file fhi2upf.f90(unit=1, file=&#39;80.Hg.LDA.fhi&#39;)</span></span></span></span></span></span></div>
<div><span lang="en"><span><span lang="en"><span><span lang="en"><span>Fortran runtime error:Bad real number in item 1 of list input</span></span></span></span></span></span></div>
<div> </div>
<div>please help me for error reason.</div>
<div>thanks
</div></div></div></div></div>