<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Dear Ari Paavo Seitsonen, <br><br> I have attached the input file for the PWSC. All the pseudo potentials I used are downloaded in the quantum-espresso website http://www.quantum-espresso.org/pseudo.php.<br> Thank you for your help in advance.<br><br>Best<br>Bingwen<br><br><br>--- On <b>Mon, 3/1/10, Ari P Seitsonen <i><Ari.P.Seitsonen@iki.fi></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: Ari P Seitsonen <Ari.P.Seitsonen@iki.fi><br>Subject: Re: [Pw_forum] File Error of GIPAW module<br>To: "PWSCF Forum" <pw_forum@pwscf.org><br>Date: Monday, March 1, 2010, 10:48 PM<br><br><div class="plainMail"><br>Dear Bingwen,<br><br> Could you please also send the input for the self-consistent job, and explain to us which pseudo potentials you
used?<br><br> Greetings,<br><br> apsi<br><br>-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-<br> Ari P Seitsonen / <a ymailto="mailto:Ari.P.Seitsonen@iki.fi" href="/mc/compose?to=Ari.P.Seitsonen@iki.fi">Ari.P.Seitsonen@iki.fi</a> / <a href="http://www.iki.fi/%7Eapsi/" target="_blank">http://www.iki.fi/~apsi/</a><br> Physikalisch-Chemisches Institut der Universitaet Zuerich<br> Tel: +41 44 63 54 497 / Mobile: +41 79 71 90 935<br><br><br>On Mon, 1 Mar 2010, Bingwen Hu wrote:<br><br>> Dear All,<br>> I used gipaw to calculate the NMR information and I got an error:<br>> ---------------------------------------------------------------------------<br>> -------------------<br>> At line 174 of file paw_gipaw.f90 (unit = 14, file = '')<br>> Fortran runtime error: File '' does not exist<br>>
---------------------------------------------------------------------------<br>> -------------------<br>> I have succeeded in running the pw.x.<br>> <br>> The input file for GIPAW is shown below:<br>> ---------------------------------------------------------------------------<br>> -------------------<br>> &inputgipaw<br>> job = 'nmr'<br>> prefix = 'pwscf'<br>> tmp_dir = '/home/bingwen/espresso-4.1.2/PWgui-4.1.1/TMP/'<br>> iverbosity = 1<br>> q_gipaw = 0.01<br>> spline_ps = .true.<br>> use_nmr_macroscopic_shape = .true.<br>> /<br>> ---------------------------------------------------------------------------<br>> -------------------<br>> <br>> Thank you in advance for your help.<br>> <br>> Best<br>> Bingwen<br>> <br>> <br>> �</div><br>-----Inline
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