<div dir="ltr">Dear Wasim,<div style> Thanks a lot!</div><div style><br></div></div><div class="gmail_extra"><br><br><div class="gmail_quote">2013/5/25 wasim raja Mondal <span dir="ltr"><<a href="mailto:wasimr.mondal@gmail.com" target="_blank">wasimr.mondal@gmail.com</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div><div>Hi aarinas<br> <br></div> I donot know about rawdf file. But in the case.almblm file I cal help you. After general run of scf , in your working directory just type this command:<br>
<br></div> x lapw2 -almd.<br><br></div>Regards<br></div>wasim<br></div><div class="gmail_extra"><br><br><div class="gmail_quote"><div><div class="h5">On Sat, May 25, 2013 at 10:13 AM, Íò²© <span dir="ltr"><<a href="mailto:arrinas@gmail.com" target="_blank">arrinas@gmail.com</a>></span> wrote:<br>
</div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="h5"><div dir="ltr"><div><div><div><div><div><div><div><div>Dear Prof. Peter Blaha and wien2k users,<br>
</div> I am trying to generate the case.radwf and case.almblm files with Wien2k.<br>
</div> According to th UG, the radial wave function and the coefficients can be generated by the switch ALM in case.in2.<br>
</div> As a test, I use the fcc-Al structure.After SCF , I change the TOT in Al.in2 to ALM, and run: x lapw2. Finally, Al.radwf and Al.almblm are generated.<br></div> However,the almblm file is empty, I am wondering maybe there is step been missed.Any suggestion will be appreciated.<br>
</div> The radwf is not empty with the lines look like:<br> 1 781 0.0001000000 0.0129828604 2.5000000000<br> 0<br> 0.8560851077E-03 -0.5577129375E-02 0.2349626386E-03 -0.1530708830E-02 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00<br>
0.8672212243E-03 -0.5649677726E-02 0.2380190769E-03 -0.1550620579E-02 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00<br> 0.8785022017E-03 -0.5723169800E-02 0.2411152740E-03 -0.1570791345E-02 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00<br>
0.8899239232E-03 -0.5797907191E-02 0.2442500999E-03 -0.1591304126E-02 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00<br></div> Could anyone tell me the meaning of this file?<br>
<br><br></div> Best Regards,<br></div> Bo Wan<br></div>
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