Dear Prof. Peter Blaha and wien2k users,
I am trying to generate the case.radwf and case.almblm files with
Wien2k.
According to th UG, the radial wave function and the coefficients
can be generated by the switch ALM in case.in2.
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.
However,the almblm file is empty, I am wondering maybe there is
step been missed.Any suggestion will be appreciated.
The radwf is not empty with the lines look like:
1 781 0.0001000000 0.0129828604 2.5000000000
0
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
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
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
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
Could anyone tell me the meaning of this file?
Best Regards,
Bo Wan
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