<div dir="ltr">You can find the necessary details in the following links:<br><a href="http://www.quantum-espresso.org/wiki/index.php/Frequently_Asked_Questions#How_is_the_charge_density_.28the_potential.2C_etc..29_stored.3F_What_position_in_real_space_corresponds_to_an_array_value.3F">http://www.quantum-espresso.org/wiki/index.php/Frequently_Asked_Questions#How_is_the_charge_density_.28the_potential.2C_etc..29_stored.3F_What_position_in_real_space_corresponds_to_an_array_value.3F</a><br>
<a href="http://www.quantum-espresso.org/wiki/index.php/Developer_Manual#File_Formats">http://www.quantum-espresso.org/wiki/index.php/Developer_Manual#File_Formats</a><br><br>Prasenjit.<br><br><div class="gmail_quote">2008/10/7 yumin qian <span dir="ltr"><<a href="mailto:yuminqian@gmail.com">yuminqian@gmail.com</a>></span><br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div dir="ltr"><div> I need to write a small program to do some post -process calcualtion , and I need to read in the wave function and charge density , But I don't know the data structure of the wave function evc(npwx,nbnd) or evc(npwx*npol,nbnd) in noncolinear case ,In LSDA case what about the spin part of wavefunction ?and what is the mean of npol (<span style="color: rgb(0, 0, 255); font-style: italic;">number of coordinates of wfc</span>) ?</div>
<div> thank you </div>
<p style="font-size: 10pt; font-family: courier;"><br> <br clear="all"><br>-- <br>Sincerely Y. M. Qian <br>Lab.of Condensed Matter Theory and Materials Computation <br>Institute of Physics <br>Chinese Academy of Sciences<br>
Tel: + 8610 8264 9147<br><a href="mailto:E-Mail%3Ayuminqian@gmail.com" target="_blank">E-Mail:yuminqian@gmail.com</a> <br>P.O.Box 603 Beijing 100190<br>China <br><br></p></div>
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