EPW Forum

Dear H Lee, Thank you for your help. I have copied the path2.dat file from the tutorial. I have managed to get the epw run work. However, I am unable to get the doping of small charge using the steps given in the tutorial. I have introduced a small charge doping of 0.00037 and modified the value of ...

Dear H. Lee, Thank you for your help. I have followed your instructions and used the updated mgp.epw.in. However, this time I am getting the following error. CARSH file %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% task # 0 from epw_readin : error # 29 opening file ...

By the way, I have manually copied the required files to the 'save' folder and tried to run the epw using the command line >mpirun -np 4 /home/krish/q-e-qe-6.7MaX-Release/bin/epw.x <mgo.epw.in> mgo.epw.out application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 The CRASH file detail task # 0 ...

Dear Members, I tried the above mentioned exercise 3 for which I have got the details from the web page: https://docs.epw-code.org/_downloads/80c451e841eff22049941c0fd8bd6063/Wed.4.Verdi.pdf I completed the scf step and the next phonon calculations. Here are the input files. input file of mgo.scf.in ...