Tanmay's Research Blog

Error during vc-relax calculation in parallel This error is a problem with the input file, this place is because &CELL ... / An additional 3 spaces were entered between the following module, causing it to generate an exception when reading the input file. It is best not to have extra spaces in the input file. In addition, such problems usually leave a file of input_tmp.in in the workspace. Ref: https://lists.quantum-espresso.org/pipermail/users/2019-March/042248.html https://github.com/LCPQ/quantum_package/issues/184 http://www.programmersought.com/article/87821528671/

Error in routine pw_readschemafile (1): xml data file not found Arises while running band structure calculation This error occurs when bands.in file can not read some data from the nscf run. The files might not be in the correct directory and not have the same filename/prefix etc. Ref:

This error arises while running scf calculation in parallel & solved by putting diagonalization='cg' ; in the input file