Re: [Wien] Cif File

24.04.2021 15:21, 413119...@nitt.edu wrote:  I am using wien2k in my ubuntu system and Iam not able to open  this cif file into structgen.when i click use this file iam getting an error in error files such that "this cif file cannot be acccessed.Also i want to know how can i make this as an in

Re: [Wien] Cif File

For example, in the cif file below you see the lattice parameters (in the hexagonal setting) and spacegroup: _cell_length_a                    3.35 _cell_length_b                    3.35 _cell_length_c                    16.53 _cell_angle_alpha                90 _cell_angle_beta                9

Re: [Wien] Cif File

Your cif file has 3 datasets, the last one looks like it is corrupted. I am not sure that cif2struct works right with multiple datasets. I suggest, similar to Lyudmila, that you read and edit the file by hand. _ Professor Laurence Marks "Research is to see what everybody else has seen, and to

[Wien] Cif File

sir I am using wien2k in my ubuntu system and Iam not able to open this cif file into structgen.when i click use this file iam getting an error in error files such that "this cif file cannot be acccessed.Also i want to know how can i make this as an input file for AFM calculation for