, the scf cycle finishes without any error when executed without
parallel tag please help me, Regards,M. Arshad Farhan
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in the src_templates. Please help me to find.
?
Thanks in advance
Jameson Maibam
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Here is the modified opticpara_lapw
Am 05.06.2012 19:36, schrieb soumyajyoti haldar:
Dear Prof. Blaha,
How we can get the modified file? Will you update the file after modification
in the download section of the site ?
On Tue, Jun 5, 2012 at 3:56 PM, Peter Blaha pblaha at
Dear All,
I have been attempting to use lapwdm to obtain the expectation value of the
radial distribution of orbitals i.e. r.
I have attempted the simplest case that I could think of, the hydrogen atom
in a large cell. I used an RMT of 4.5 au so that a fraction 0.99 of the
charge lies inside the
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