<DIV><FONT face=Arial color=#000000 size=2>Dear WIEN users,</FONT></DIV> <DIV><FONT face=Arial size=2></FONT> </DIV> <DIV><FONT face=Arial size=2>Complex calculations are performed for systems without inversion symmetry. </FONT></DIV> <DIV><FONT face=Arial size=2></FONT> </DIV> <DIV><FONT face=Arial size=2>QUESTION: I have a system without inversion symmetry (with input files case.in1c, case.in2c, etc.) </FONT><FONT face=Arial size=2>and I want to perform a spin polarized calculation using charge </FONT></DIV> <DIV><FONT face=Arial size=2>convergence. </FONT></DIV> <DIV><FONT face=Arial size=2></FONT> </DIV> <DIV><FONT face=Arial size=2>Do I use </FONT></DIV> <DIV><FONT face=Arial size=2></FONT> </DIV> <DIV><FONT face=Arial size=2>runsp_lapw -i 20 -cc 0.00001</FONT></DIV> <DIV><FONT face=Arial size=2></FONT> </DIV> <DIV><FONT face=Arial size=2>OR</FONT></DIV> <DIV><FONT face=Arial size=2></FONT> </DIV> <DIV><FONT face=Ari!
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size=2>runsp_c_lapw -i 20 -cc 0.00001 ?</FONT></DIV> <DIV><FONT face=Arial size=2></FONT> </DIV> <DIV><FONT face=Arial size=2>I am asking because the user guide does not explicitly state the difference </FONT></DIV> <DIV><FONT face=Arial size=2>between runsp_lapw and runsp_c_lapw.</FONT></DIV> <DIV><FONT face=Arial size=2></FONT> </DIV> <DIV><FONT face=Arial size=2>Thank you.</FONT></DIV> <DIV><FONT face=Arial size=2></FONT> </DIV> <DIV><FONT face=Arial size=2>J. Appleton</FONT></DIV>