some questions with QE if ibrav=0

[zc994646659]

if ibrav =0 ,when i use the scripts, it report that ValueError: Coordinate format (crystal) in input file not known,how to resolve it
MoNbB4.txt

[henriquemiranda]

Thank you for reporting this issue.
The problem is not due to ibrav==0 but to the way we try to read the type of coordinates in which the atomic positions are specified.
Commit bb41b88 should fix this issue.
Let me know if it works so I can close the issue.

[zc994646659]

Yes, The (crystal) should become {crystal} If do this, it will be fine. Thank you

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------------------ 原始邮件 ------------------ 发件人: "henriquemiranda/phononwebsite" ***@***.***>; 发送时间: 2023年2月15日(星期三) 晚上10:49 ***@***.***>; ***@***.******@***.***>; 主题: Re: [henriquemiranda/phononwebsite] some questions with QE if ibrav=0 (Issue #20) Thank you for reporting this issue. The problem is not due to ibrav==0 but to the way we try to read the type of coordinates in which the atomic positions are specified. Commit bb41b88 should fix this issue. Let me know if it works so I can close the issue. — Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you authored the thread.Message ID: ***@***.***>