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<div dir="ltr">Dear Prof. Giannozzi,<br>Thanks for your helpful reply. Now I have got through it. <br>Have a nice day!<br>Best wishes,<br><br>Franklin <br><br><div>> From: paolo.giannozzi@uniud.it<br>> To: pw_forum@pwscf.org<br>> Date: Wed, 3 Jul 2013 15:24:36 +0200<br>> Subject: Re: [Pw_forum] Problem with using pp.x<br>> <br>> On Wed, 2013-07-03 at 04:22 +0000, Franklin Zhan wrote:<br>> <br>> > &plot<br>> > nfile = 3<br>> > filepp(1) = 'SWNT-Au.rho.dat'<br>> > weight(1) = 1.0<br>> > filepp(2)= 'SWNT.rho.dat'<br>> > weight(2)= -1<br>> > filepp(3)= 'Au.rho.dat'<br>> > weight(3)= -1<br>> > iflag = 3<br>> > output_format = 5<br>> > fileout = 'SWNT-Au.rho_diff.dat'<br>> > /<br>> > <br>> > All step 1 and step 2 calculations are successful, but I can not<br>> > obtain the SWNT-Au.rho_diff.dat file in step 3. The information in<br>> > SWNT-Au.rho_diff.out is: Reading header from file SWNT-Au.rho.dat<br>> > only.<br>> <br>> filepp(1), filepp(2), filepp(3) should be the same as filepp(1) in <br>> steps 1,2,3, IIRC<br>> <br>> Paolo<br>> <br>> <br>> -- <br>> Paolo Giannozzi <paolo.giannozzi@uniud.it><br>> DCFA, Univ. Udine<br>> <br>> _______________________________________________<br>> Pw_forum mailing list<br>> Pw_forum@pwscf.org<br>> http://pwscf.org/mailman/listinfo/pw_forum<br></div></div>
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