[Pw_forum] something strange with my nscf and projwfc calculations

[vega lew]

Dear all

I have done the relax calculation for my system. Then I downloaded the results
file with all the file at $outdir fold from the computer center. And put the last 
coordinate in the output file to the scf inputfile to carry out the scf calculation in my
own cluster in the office. Whe the scf calculation was done, the calculated energy 
was exactly the same as output file of the relaxed results. The I chage the 'scf' command
in &control section directly to 'nscf'. But the 'nscf' output file said,      
     Band Structure Calculation
     Davidson diagonalization with overlap
     WARNING:    14 eigenvalues not converged

And There was also an error occured during the projwfc calculations. the error information 
was,
 
Calling projwave .... 
     gamma-point specific algorithms are used
 
 
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        10
     error while reading from file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

There is also another thing I should mentioned that when I doing the relax and scf calculation
I set disk_io to 'none' to save communication and disk space. Does these cause the error in the 
post-processing?

thank you for reading 

vega

Vega Lew
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
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