Error in running quantum expresso

[Keshav Singh]

Dear Developers, 

I am tryin to predict the structure of molecular crystal via USPEX (python version) but I am encountering errors. I am using quantum espresso for structure relaxation.

I have attached the error as an  Image file and all the inputs are attached with this massage. Please have a look and help me to rectify it. No output file is produced. 

Thank you in advance 

[Dmitry Volkov]

Dear Keshav!


I looked into your input.uspex. You missed ':' after 'blocks' in line 9, closing ')' in line 19. Also 'kresol=0.12' is incorrect, it should be 'kresol: 0.12'.
 And we don't have a default for stopCrit, so you should specify it. As well you should specify fractions for variation operators.
 One more problem is that our format do not allow breaking line beеween ':' and '{' as you did in lines 2-3. This is unfortunate limitation and we are planning to lift it in later releases.
Besides, your molecules definition in 'input.uspex' is not complete. Please, see examples provided together with USPEX distribution.

Good luck and best wishes!