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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