[Wien] LAPW Error!

2012-01-06 Thread Antônio Vanbderlei dos Santos
Dear Users I have a problem, if someone can help me. forrtl: severe (24): end-of-file during read, unit 5, file /home/vandao/WIEN2k/filmefeo/filmefeo.in1 Image PCRoutineLineSource lapw1 0859F88D Unknown Unknown Unknown lapw1

[Wien] thin films and multilayers

2012-01-09 Thread Antônio Vanbderlei dos Santos
Dear Users: I'm trying to calculate multilayer thin films. I'm in LAPW1 error problem. It is probably the case.structure, one could help me with some case.structure of thin films and multilayers. thank you Antonio

[Wien] thin films

2012-02-14 Thread Antônio Vanbderlei dos Santos
Dear users I'm calculating thin films with the following structure. I find the following error can anyone help me in calculation of thin films. thank you Title CYZ LATTICE,NONEQUIV.ATOMS: 3 MODE OF CALC=RELA unit=bohr 5.950930 5.950930 19.648072 90.00 90.00 90.00 ATOM -1: X=0

[Wien] thin films

2012-02-14 Thread Antônio Vanbderlei dos Santos
dear users I change the structure of the thin film and use the structure below, I also find the following error. film P LATTICE,NONEQUIV.ATOMS: 7 MODE OF CALC=RELA unit=ang 6.614044 6.614044 39.684265 90.00 90.00 90.00 ATOM -1: X=0. Y=0. Z=0.

[Wien] thin films

2012-02-23 Thread Antônio Vanbderlei dos Santos
dear I have problems in the calculation of thin films. With your help, you could not provide me with a film structure that has run in and converging. Des I thank you for your cooperation Dr Antonio Vanderlei dos Santos

[Wien] error cycle 2

2012-02-27 Thread Antônio Vanbderlei dos Santos
Dear users I am with the following error. Can anyone help me. Calculating fecufe in /home/vandao/WIEN2k/vandao/fecufe on Fisica-Host-Wien2K with PID 1606 using WIEN2k_10.1 (Release 7/6/2010) in /WIENROOT start (Fri Feb 24 15:55:08 BRST 2012) with lapw0 (40/99 to go) cycle 1

[Wien] LAPW2C stop

2012-03-03 Thread Antônio Vanbderlei dos Santos
Dear users I'm having the same problem in the calculation of thin films, the LAPWC2 was a week and not run. I am also no alternative. Dr A. V. dos Santos

[Wien] DSTART

2012-03-26 Thread Antônio Vanbderlei dos Santos
Dear users I'm with sequinte error: Could someone help me 'DSTART' - can't open unit: 15 'DSTART' -filename: fefcc.in2c 'DSTART' - status: old form: formatted

[Wien] Error in LAPW1

2012-03-26 Thread Antônio Vanbderlei dos Santos
Dear users I'm with sequinte error: Could someone help me Error in LAPW1 'INILPW' - can't open unit: 10 'INILPW' -filename: /mnfe3.vectorup 'INILPW' - status: unknown form: unformatted 'LAPW1' - INILPW aborted unsuccessfully. when you run the following structure. Mn3Fe

[Wien] Error in LAPW1

2012-03-27 Thread Antônio Vanbderlei dos Santos
Dear Thanks for the help, really worked and I'm running. > >> It says exactly what the problem is -- it was not able to open the >> file ./mnfe3.vectorup . Why -- less obvious. Perhaps you have rights >> to the directory/file, you have overrun your space allocation, hard to >> say exactly. > >>>