date:20120314

[Wien] [SPAM?] unit in output spectra of TELNES3

2012-03-14 Thread ZhenChen

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[Wien] the effec of the volume optimization on the magnetic configuration

2012-03-14 Thread sufyan

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[Wien] Telnes3 compilation

2012-03-14 Thread Peter Blaha

Please check previous posting on TELNES3. It was discussed and solved before. gfortran supports only lines with some limited length. This leads to those errors. You have to break these lines into two with a continuation character. The new release should have fixed this. Am 13.03.2012 10:07,

[Wien] the effec of the volume optimization on the magnetic configuration

2012-03-14 Thread Fecher, Gerhard

yes, indeed and the experiment tells that this is right, pressure may change the magnetic state, of course in many cases it needs to be high to change the Volume considerably. Check the literature what happens with the magnetic states under pressure. Ciao Gerhard DEEP THOUGHT in D. Adams;

[Wien] Telnes3 compilation

2012-03-14 Thread aeljar...@el.ub.edu

Dear Drs Blaha and Abo, thank you both for your help and explanations, the fix Dr. Abo proposed fixed my compilation. Greetings, Alberto Eljarrat. If adding the following line to your Compiler options removes any of the error messages, please let me know: -ffree-line-length-none On

[Wien] TELNES3 with spin

2012-03-14 Thread Peter Blaha

Checkout the w2web interface: You should use x qtl -telnes -up/dn Am 14.03.2012 14:58, schrieb Che Seabourne: Dear all, I would just like to confirm methodology (and indeed feasibility) of doing TELNES3 calculations after running runsp_lapw type calculations. x lapw1 -dn; x lapw1 -up; x

[Wien] external potential inside the muffin-tin sphere

2012-03-14 Thread Yundi Quan

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