Dear Dr. Peter Blaha (sir) and experts,
I have tried to import a cif file of experimental structure with space group
C2/c(#15) by using cif2struct script. This script interchanged Y-Z (Beta into
gamma) for Monoclinic lattice. I have tried to fixed it my manually but
initialization was failed.
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Best Regards,
Enamul HaqueMawlana Bhashani Science and Technology UniversityTangail,
Bangladesh.Email: enamul@mailaps.orgCell: +8801831911133
On Thursday, August 23, 2018, 5:20:03 PM GMT+6, Enamul Haque
wrote:
Dear Sir,We get SG 8 Cm if we run sgroup with "x sgroup -s
Dear Wien2k Users and Experts,
We already got sufficient help from Dr. Gavin in this case but we are not
convinced from the space group point of view.
With the original CIF file (attached), we want to check the ground state energy
of the AFM case of "Cs3Fe2Cl9" (conventional standard and
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