Dear sir I want to calculate the phonon spectrum of ZnS using the phonopy 1.10.0. so in this order, i followed these steps: mkstruct init_lapw phonopy --wien2k -c ZnS.struct -d --dim="2 2 2" so it generate the four files ZnS.structS-001 ZnS.structS-002 ZnS.structS-003 ZnS.structS-004 after this process, i calculated the scf file of each struct file by making directory of each struct file separetly then copy into the ZnS directory then i would like to compute the total force so i gave the command " phonopy --wien2k -f 1.scf 2.scf 3.scf 4.scf " which showing the following error
[ambeshst@IITJ_HPC ZnS]$ phonopy --wien2k -f 1.scf 2.scf 3.scf 4.scf _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 1.10.0 ********************************************************** **** Wien2k FORCE_SETS support is experimental. **** **** Your feedback would be appreciated. **** ********************************************************** It is assumed that there is no symmetrically-equivalent atoms in '1.scf' at wien2k calculation. Drift force of 1.scf 0.00053796 -0.00033949 -0.08833666 This drift force was subtracted from forces. 2.scf does not contain necessary information. Plese check if there are "FGL" lines with "total forces" are required. FORCE_SETS could not be created. _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| -- *Goutam Kumar Gupta* *Mob:8561995547*
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