[Pw_forum] regarding 'nscf' calculation

kulwinder kaur kulwindercmp at gmail.com
Wed Sep 3 08:29:04 CEST 2014


hello QE user
when i submit my job on cluster. scf calculation run well. but when i
submit my job for 'nscf' calculation the following error occur

########################################
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=-1)
# ERROR IN: iotk_scan_dat (iotk_dat.spp:768)
# CVS Revision: 1.27
# Dat not found
name=CELL_SYMMETRY

please tell me where is problem ?


-- 
Regards
Kulwinder Kaur
Research scholar (JRF-CSIR)
Physics Department
Panjab University Chandigarh.
India
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