[Wien] AFM

dear users I'm trying to run a calculation antiferromagnetic and the following error appears. Some could help me. Commandline: X AFMINPUT -UP Program input is: 1.0 0.0 0.0 0.5 0.0 1.0 0.0 0.5 0.0 0.0 1.0 0.5 At line 227 of file afminput.f (unit = 5, file = 'stdin') Fortran runtime error:

[Wien] someric shift

dear users I would like to know how to calculate the isomeric shift Dr Antonio ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at:

[Wien] FeO

dear users I'm working with the oxide FeO. Could someone tell me the unitary cell of this compound. Dr Antonio ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at:

[Wien] phonons

dear users I have many difficulties to use the program frozen phonons, appears several errors like Error in LAPW1 'INILPW' - can't open unit: 18 'INILPW' - filename: multicamadasfeo0_1.vsp 'INILPW' - status: old form: formatted 'LAPW1' - INILPW aborted unsuccessfully. Please

[Wien] password

Dear Users. I would update the wien2k, but I lost login and password, how do I get another. regard vando -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130307/a6e55b06/attachment.htm

[Wien] fortran

Dear Users Which Fortran compiler for Wien2K has the following configuration: Description: Ubuntu 10.04.3 LTS Release: 10.04 Codename: lucid help me ? -- next part -- An HTML attachment was scrubbed... URL:

[Wien] coefficient of heat expecifico

Dear I am studying the coefficient of heat expecifico. I do not understand how the wien performs the calculation, starting from the density of state. someone could help me. -- next part -- An HTML attachment was scrubbed... URL:

[Wien] version prior to wien2k

Dear users. I am needing to get a version prior to wien2k. how can I get -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120503/5822cc18/attachment.htm

[Wien] error LAPW1

Dear Users After use the VISTA program to fix the structure, find the error Error in LAPW1 'SELECT' - no energy limits found for L= 0 'SELECT' - E-bottom -200.0 E-top -3.89200 structure used sb2te3 R LATTICE,NONEQUIV.ATOMS: 3160_R3m MODE OF CALC=RELA unit=ang 7.558908

[Wien] lstart

Dear Users I'm not getting run WARNING: Because I can not run scf-cycle with core density superposition. Someone could help. I can not with lower E-core separation energy for less than -9 Someone could help. Commandline: X LSTART -UP -C Program input is: 13 -9.0 Invalid null command.

[Wien] LAPW1 in cycle 2

Dear users I have serious problems in the calculation of alloy 2Sb3Te. Aguns problem seems resolved and the problem arose, in cycle 2 stop error lapw1 08048161 Unknown Unknown Unknown lapw1 085AAAD0 Unknown Unknown Unknown lapw1 080482A1 Unknown Unknown Unknown lapw1 08066FDF MAIN__ 42

[Wien] Error LAPW0

Dear Users When the squeegee sequinte structure. sb2te3 R LATTICE,NONEQUIV.ATOMS: 3166_R-3m MODE OF CALC=RELA unit=ang 28.345903 28.345903205.980229 90.00 90.00120.00 ATOM -1: X=0.9998 Y=0. Z=0.3988 MULT= 6 ISPLIT= 8 -1: X=0.0002 Y=0.

[Wien] Error LAPW0

Dear users I modifications and decreases the structure, but now the seurge sequinte error. Error in LAPW1 'SELECT' - no energy limits found for L= 1 'SELECT' - E-bottom -17.57300 E-top -200.0 -- next part -- An HTML attachment was scrubbed... URL:

[Wien] Error LAPW0

Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu [3] 1-847-491-3996 Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi On Apr 2, 2012 1:19 PM, Antonio Vanderlei dos Santos - Fisica vandao