[Pw_forum] Re: Pw_forum digest, Vol 1 #1203 - 3 msgs

[wang yanchao]

Dear Andrea:
      Thank you for your help.When caculating el-ph interaction of the doped
material, I used the smearing .I set the degauss=0.05.The total energy does
not converge,so I set the different value to test.but it does not converge
still.So I set the different value of K-point to test again,the result is
not very good. I want to know how to deal with this program.In addtion, I
want to know what the relationship between the value of degauss and
K-point.Thank you!








sincerely

Wang yanchao
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