[Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure

ma.azadparvar ma.azadparvar at hsu.ac.ir
Sun Nov 20 10:22:20 CET 2022


Dear Wien2k users,

I have optimized a monoclinic structure with option 7 "vary A, B, C , and gamma (4D-case) monoclinic lattice". After optimization without any error (using 7 81 1%), I want to obtain lattice parameters. So by running the “parabolfit_lapw”:

>>>>parabolfit_lapw -t 2/3/4   -f FILEHEAD -scf '*case*.scf'  -g

After running, I have faced with following  error:

/bin/ls:no match.

The following scf files were used for analysis:

Case_1_defult.scf

.

.

.

Case_81_defult.scf

FILEHEAD.ene and FILEHEAD.latparam generated

ERROR IN OPENING UNIT: 10

FILE NAME:

Case.ene

STATUS:old

FORM:formatted

OPEN FAILED

0.008u   0.004s    0:00.01   0.0%              0+0k   0+0io   0pf+0w


Please let me know how to solve this problem?

Thank you in advance.



Maliheh Azadparvar

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