[Wien] problem in running lapwdm -so -up -p in WIEN2k_05

Guang-Yu Guo gyguo at phys.ntu.edu.tw
Mon Feb 21 16:08:20 CET 2005


Dear Dr. Blaha and WIEN2k users,

We recently switch from WIEN2k_01 to WIEN2k_05.
However, we encounter problems when we tried
to calculate the orbital magnetic moment
by using LAPWDM in parallel. Specifically,
1) After a suscessful run of
runsp_lapw -so -ec 0.0001 -p, we run
x lapwdm -so -up -p in order to get the
orbital magnetic moment. However, we get
the error message that the commond 
lapwdmcpara is not found. By comparison
with WIEN2k_01 package, we notice that
lapwdmcpara is indeed missing.
2) We then soft-link lapwdmcpara to
lapwdmpara, as is in WIEN2k_01. Unfortunately,
we get another error message:
The READ statement on the file bccfe.weighup_1(2,3,etc)
cannot be completed because the end of the file
was reached. 
Checking the bccfe.weighup_1 file show that
it is indeed empty.

Has anyone come across the same problem?
And how to solve this problem?

Many thanks in advance.

Best regards,
Guang-Yu Guo

p.s.: The same problem happens in WIEN2k_04 package.




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