<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:10pt">one more question.....on the example 13 , to calculate non collinearity, we have either total magnetization or the angle fixed.<br>what if i want to do a full noncollinear calculation?<br><br><div> </div><font style="font-family: times new roman,new york,times,serif;" size="2">-- <br></font><font style="font-family: times new roman,new york,times,serif;" size="2"><span style="color: rgb(96, 154, 159); font-style: italic;">Rudra<br></span><span style="color: rgb(127, 63, 0);">JRF; SNBNCBS<br></span></font><font style="font-family: times new roman,new york,times,serif;" size="2"><a rel="nofollow" target="_blank" href="http://www.bose.res.in/%7Erudra%20%20%20%20%20%20%20"><span style="color: rgb(0, 0, 255); font-style: italic;">http://www.bose.res.in/~rudra</span></a><br></font><font
style="font-family: times new roman,new york,times,serif;" size="2"><span style="color: rgb(0, 127, 64); font-style: italic;"><br>A bus station is where a bus stops. A train station is where a train</span><br style="color: rgb(0, 127, 64); font-style: italic;"><span style="color: rgb(0, 127, 64); font-style: italic;">stops. On my desk I have a work station..</span><span style="font-style: italic;"> </span><br style="font-style: italic;"><span style="color: rgb(255, 0, 0); font-style: italic;"><br>Please, if possible, don't send me MS Word or PowerPoint attachments <br>Why?See: </span><span style="font-style: italic;"><a rel="nofollow" target="_blank" href="http://www.gnu.org/philosophy/no-word-attachments.html%20%20%20%20%20%20%20%20%20%20%20">http://www.gnu.org/philosophy/no-word-attachments.html</a><br></span></font><div style="font-family: times new roman,new york,times,serif; font-size: 10pt;"><br><br><div style="font-family: times new
roman,new york,times,serif; font-size: 12pt;">----- Original Message ----<br>From: Rudra Banerjee <bnrj.rudra@yahoo.com><br>To: PWSCF Forum <pw_forum@pwscf.org><br>Sent: Monday, 24 March, 2008 2:50:27 PM<br>Subject: non collinear magnetism<br><br><div style="font-family: times new roman,new york,times,serif; font-size: 10pt;">Dear friends, <br>can anyone give me some theoretical detais about non collinear calculation using pwscf? i have checked example 13 and also a note by Ralph Gebauer but didnt quite understand some points like "penalty functional"; how to set its value..<br>it will be great help for me if anybody can provide me some reference on that<br>thnx<br><div> </div>-- <br><font style="font-family: times new roman,new york,times,serif;" size="2"><span style="color: rgb(96, 154, 159); font-style: italic;">Rudra<br>JRF<br></span></font><font style="font-family: times new roman,new york,times,serif;" size="2"><span
style="color: rgb(0, 127, 64); font-style: italic;">A bus station is where a bus stops. A train station is where a train</span><br style="color: rgb(0, 127, 64); font-style: italic;"><span style="color: rgb(0, 127, 64); font-style: italic;">stops. On my desk I have a work station.</span><span style="font-style: italic;"> </span><br style="font-style: italic;"><a rel="nofollow" target="_blank" href="http://www.bose.res.in/%7Erudra%20%20%20%20%20%20%20"><span style="color: rgb(0, 0, 255); font-style: italic;">http://www.bose.res.in/~rudra </span></a><br style="font-style: italic;"><span style="color: rgb(255, 0, 0); font-style: italic;">Please, if possible, don't send me MS Word or PowerPoint attachments <br>Why?See: </span><span style="font-style: italic;"><a rel="nofollow" target="_blank"
href="http://www.gnu.org/philosophy/no-word-attachments.html%20%20%20%20%20%20%20%20%20%20%20">http://www.gnu.org/philosophy/no-word-attachments.html </a><br></span></font><div style="font-family: times new roman,new york,times,serif; font-size: 10pt;"><br></div></div><br>
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