<div dir="ltr"><p class="MsoNormal"><span lang="EN-US">Again when I re-install espresso-5.0.2 and
test again, some weird questions came again.</span></p>

<p class="" style="margin-left:18pt"><span lang="EN-US">1.<span style="font-size:7pt;font-family:'Times New Roman'">      
</span></span><span lang="EN-US">it is extremely strange that
the process always say cannot open middle-produced files (e.g. .wfc .bar etc.)
how does such things happened?</span></p>

<p class="" style="margin-left:18pt"><span lang="EN-US">2.<span style="font-size:7pt;font-family:'Times New Roman'">      
</span></span><span lang="EN-US">For PP/examples, still the same
error: gamma_only case not implemented</span></p>

<p class="" style="margin-left:18pt;text-indent:0cm"><span lang="EN-US">I don’t know its specific reasons.</span></p>

<p class="" style="margin-left:18pt"><span lang="EN-US">3.<span style="font-size:7pt;font-family:'Times New Roman'">      
</span></span><span lang="EN-US">For testfiles under PWCOND,
there is one common error:</span></p>

<p class="" style="margin-left:18pt"><span lang="EN-US">task
#         3</span></p>

<p class="" style="margin-left:18pt"><span lang="EN-US">from
gep_x : error #        82</span></p>

<p class="" style="margin-left:18pt"><span lang="EN-US">error on zggev</span></p>

<p class="MsoNormal"><span lang="EN-US">really need your help</span></p>

<p class="MsoNormal"><span lang="EN-US">thanks</span></p>

<p class="MsoNormal"><span lang="EN-US">below are my files.</span></p></div><div class="gmail_extra"><br><br><div class="gmail_quote">2014-04-14 19:08 GMT+08:00 薛诗川 <span dir="ltr"><<a href="mailto:nudt.xueshichuan@gmail.com" target="_blank">nudt.xueshichuan@gmail.com</a>></span>:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><p class="MsoNormal"><span lang="EN-US">Hi,all,</span></p>

<p class="MsoNormal"><span lang="EN-US">I am testing espresso-5.0.2. When I test
some of its modules(e.g. CPV, PWCOND , PP……),I encountered some questions.</span></p>

<p style="margin-left:18pt"><span lang="EN-US">1.<span style="font-size:7pt;font-family:'Times New Roman'">      
</span></span><span lang="EN-US">when testing
CPV/examples/example09, for input <i>mgo.cp.damp.efield,</i>there
is an error:</span></p>

<p style="margin-left:18pt;text-indent:0cm"><span lang="EN-US">Error in routine ortho (31):</span></p>

<p style="margin-left:18pt;text-indent:0cm"><span lang="EN-US">max number of iterations exceeded</span></p>

<p style="margin-left:18pt"><span lang="EN-US">2.<span style="font-size:7pt;font-family:'Times New Roman'">      
</span></span><span lang="EN-US">when testing
CPV/examples/example05, there is an error:</span></p>

<p style="margin-left:18pt;text-indent:0cm"><span lang="EN-US">Error in routine cp_read_cell (5):</span></p>

<p style="margin-left:18pt;text-indent:0cm"><span lang="EN-US">cannot open restart file for reading: /root/tmp//h2o_mol_50.save/data-file.xml</span></p>

<p style="margin-left:18pt;text-indent:0cm"><span lang="EN-US">however, these files should be produced during the process
under out_dir, why is it wrong with such an error : cannot  find file?</span></p>

<p style="margin-left:18pt"><span lang="EN-US">3.<span style="font-size:7pt;font-family:'Times New Roman'">      
</span></span><span lang="EN-US">Phonon/examples/example01</span></p>

<p style="margin-left:18pt;text-indent:0cm"><span lang="EN-US">The same with 2 that files under out_dir are not found.</span></p>

<p style="margin-left:18pt"><span lang="EN-US">4.<span style="font-size:7pt;font-family:'Times New Roman'">      
</span></span><span lang="EN-US">When testing PP/examples/example01,
error:</span></p>

<p class="MsoNormal" style="text-indent:18pt"><span lang="EN-US">from bands :
error #         1</span></p>

<p style="margin-left:18pt;text-indent:0cm"><span lang="EN-US">gamma_only case not implemented</span></p>

<p class="MsoNormal"><span lang="EN-US"> </span></p>

<p class="MsoNormal"><span lang="EN-US">thanks a lot</span></p></div>
</blockquote></div><br></div>