[Wien] dstart problem with supercell

rcais@cal3.vsnl.net.in rcais at cal3.vsnl.net.in
Thu Sep 27 04:05:58 CEST 2007


Dear developers and users,
I am having a problem with phonon lapw in the new version of Wien (Wien2k 07.3). I ran init_lapw on a supercell case generated from a d.45 file (from Phonon). For this structure file dstart  took 3.5 hours to complete in the Wien2k 05 version. But with the new version dstart did not complete even in 5.5 hours. my compilation was ok and scf runs fine in other systems. Other cases also did not complete dstart in 7 hours.
I am attaching the structure file. 
Thank you for your help.
Chandrika


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