[Wien] Problem in scf launching !!

Brahim Abraime b.abraime at gmail.com
Mon Nov 16 11:25:44 CET 2015


Dear developpers and users,
We are trying to run a self consistency calculation of a material with hexagonal structure, but we obtain this error:
running dstart in single mode
forrtl: severe (24): end-of-file during read, unit 81, file /home/user/WIEN2k/hexa.rsp
0.0u 0.0s 0:00.05 40.0% 0+0k 0+40io 0pf+0w
error: command   /home/user/wien2k/dstartpara dstart.def   failed
n stop error n Could you help me please
Best regards.

Brahim AbraimeDoctorant à MAScIR (Moroccan foundation for Advanced Science Innovation and Research)Doctorant au Laboratoire de Magnétisme et Physique des Hautes Energies (LMPHE)Faculté des Sciences RabatUniversité Mohamed 5 		 	   		  
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