[Wien] A problem in volume otimization with sin orbit interaction

Hello every wien user this is my first calculation of so with acompound ( examle:AB3N4) or BN doped with A the calculation without SO and with SO (SCF) done well but when I tried to optimize the volume with runsp_lapw -so this error was obtained thank you for help forrtl: severe (24):

[Wien] A problem in volume otimization with sin orbit interaction

I tried to do this optimization to the AN compound and every thing was done well but when I tried to do it for BN doed with A I face this error --- On Sun, 11/14/10, Mahmoud Farout mq2021 at yahoo.com wrote: From: Mahmoud Farout mq2...@yahoo.com Subject: [Wien] A problem in volume otimization

[Wien] Fw: Optimization problem

thank you all I solved the problem with gnuplot package --- On Wed, 10/27/10, Mahmoud Farout mq2021 at yahoo.com wrote: From: Mahmoud Farout mq2...@yahoo.com Subject: [Wien] Fw: Optimization problem To: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at Date: Wednesday, October

[Wien] spin orbit calculation (problem with Wien2k_10)

- University 55099 Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;Mahmoud Farout [mq2021 at yahoo.com] Gesendet: Sonntag, 24. Oktober 2010 19:07 Bis: A Mailing list for WIEN2k users

[Wien] spin orbit calculation (problem with Wien2k_10)

every thing going well All Thanks to Dr Stefan and to any body like to help others From: Mahmoud Farout mq2...@yahoo.com To: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at Sent: Sun, October 24, 2010 5:49:37 PM Subject: Re: [Wien] spin orbit

[Wien] WIEN(Spin orbit calculation)

I am working with FeN compound , and want to do spin orbit calculation . so I tried a usual calculation without so then save files after that I started the initso the run SCF cycle with so , but I face a problem with an error after lapw1 has finished this is the error forrtl :severe(64) : input