Search found 2 matches

by srp_100
Tue Jun 11, 2024 2:51 am
Forum: Running the code
Topic: MoS2 xml file error
Replies: 1
Views: 1279

MoS2 xml file error

Hello, I am trying to run a Wannierization calculation on MoS2. I get an error that says end of file reached, tag Root not found I think it has to do with processing the xml file named patterns.1.xml, patterns.2.xml, etc. I verified that the xml files in the _ph0 and save directories had no syntax e...
by srp_100
Tue Jun 11, 2024 2:39 am
Forum: Running the code
Topic: High K-Mesh wannierization: Not enough bvectors found
Replies: 0
Views: 2074

High K-Mesh wannierization: Not enough bvectors found

Hello, I am trying to run a Wannierization calculation on a 32x32x1 K-point mesh. However, I get an error in the epw.out file that says the following: kmesh_get_bvector: Not enough bvectors found Error: examine the output/error file for details I see in some W90 forums that the error could be occurr...