<html><body><div style="color:; background-color:; font-family:MS PGothic, sans-serif;font-size:12pt"><div id="yiv4961303241"><div><div style="font-family:MS PGothic, sans-serif;font-size:12pt;" class="yui_3_2_0_3_154240515172850"><div>Dear Developer group of Quantum Espresso,<span><br></span></div><div> C.C.: Dr. Paolo Giannozzi</div><div><br></div><div>Thank you for your quick reply.</div></div><div style="font-family:MS PGothic, sans-serif;font-size:12pt;" class="yui_3_2_0_3_154240515172850">However, I think my inquiry does not send you correctly.</div><div style="font-family:MS PGothic, sans-serif;font-size:12pt;" class="yui_3_2_0_3_154240515172850"><br></div><div style="font-family:MS PGothic, sans-serif;font-size:12pt;" class="yui_3_2_0_3_154240515172850">I send you this time input and output files for my phonon calculation together with the input file for SCF calculation.</div><div style="font-family:MS PGothic, sans-serif;font-size:12pt;" class="yui_3_2_0_3_154240515172850">Number of different types of atoms is TWO, and number of atoms is 45.</div><div style="font-family:MS PGothic, sans-serif;font-size:12pt;" class="yui_3_2_0_3_154240515172850">The error occurs at namelist in subroutine inputph. <br></div><div style="font-family:MS PGothic, sans-serif;font-size:12pt;" class="yui_3_2_0_3_154240515172850">I guess that codes relating to parallel computing have problems, but I can not cope this.</div><div style="font-family:MS PGothic, sans-serif;font-size:12pt;" class="yui_3_2_0_3_154240515172850">Please tell me the way to cope this situation.</div><div style="font-family:MS PGothic, sans-serif;font-size:12pt;" class="yui_3_2_0_3_154240515172850"><br></div><div style="font-family:MS PGothic, sans-serif;font-size:12pt;">Sincerely yours,<div>Hisayoshi Kobayashi<br></div><div><span></span>Emeritus Professor of Kyoto Institute of Technology. <br></div><div> </div><div>******************Previous answer from Dr. Paolo**********************<br></div><div><div>Dear Professor Kobayashi, 10 is the maximum number of different
types of atoms. The atomic mass should be specified for all types of
atoms, not for all atoms. In the old message you found, it looks like
there is a single type of atoms, so it is sufficient to specify
amass(1)=12.0107. IIN the unlikely case you have more than 10 different
types of atoms, change the parameter "ntypx" in
q-e/Modules/parameters.f90, recompile</div><div><br></div>Paolo</div><div><br></div><div><br></div>
</div></div></div></div></body></html>