7/16/2020 · But when I tried to do nscf > > calculation I have been facing with the following error . > > > > ***** > > error in routine pw_readschemafile (1 ): xml data file not found > > ***** > > > > Usually, this kind of error only occurs If we miss out ‘from_scratch’ > > option in the ‘restart_mode’.
3/3/2015 · I try to restart the calculations I got the following error message: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%. Error in routine pw_readfile ( 1 ): error opening xml data file. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%. I have tried this calculation in two different machines and got the same. error .
Reading data from directory: ./tmp/silicon.save/ %%%%% Error in routine pw_readschemafile (1 ): xml data file not found %%%%% stopping … application called MPI_Abort(MPI_COMM_WORLD, 1 ) – process 0 [unset]: write_line error fd=- 1 buf=:cmd=abort exitcode= 1 : system msg for write_line failure : Bad file descriptor —————————————————————————————————–, I got a > new error message as follows. > > %%%%% > Error in routine pw_readschemafile (1 ): > xml data file not found > %%%%% > > The data-file.xml did exist in the pwscf.save directory. I guess we might still need a small fix here.
12/5/2016 · I am getting the following error in the output file. Error in routine pw_readfile ( 1 ): error opening xml data file Initially I have made a folder named halite to store expected calc.save folder and calc.wfc file. I have attached the file that I am trying to run. Please go through and help me to rectify the errors .
10/10/2018 · Error in routine pw_readschemafile (1): xml data file not found The xml data file is available in the output directory generated by SCF calculation still I get this error!, 5.8 The code stops with an error in routine “scale_h” During a variable-cell structural optimization (“vc-relax”) you may get the following error : _ Error in routine scale_h ( 1 ): Not enough space allocated for radial FFT: try restarting with a larger cellfactor. This is a consequence of a too small starting unit cell.
9/13/2018 · Atomic positions and unit cell read from directory: ./mgb2.save/ %%%%% Error in routine pw_readschemafile (1 ): XML data file not found %%%%% ???6. 1 ??????6.2???????? Error : (unicode error ) ‘unicodeescape’ codec can’t decode bytes in.
5/31/2020 · 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:, From the external data tab, in the export group, tap to the excel option. Now from the Export – Excel Spreadsheet dialog box, take review of the suggested file name for the excel workbook. If you wish then you can make changes to file name. In file format box, select the file format which you want.
