Messages

1

General Questions and Answers / Re: problem in saving seperate bias nc file with different bias

« on: June 11, 2013, 05:32 »

Dear Blom, when i run the sript, it did output seperate bias.nc file, for example 0.1.nc, 0.2.nc, but in these nc files, there is nothing execpt several configurations. What's wrong with the input file.

2

General Questions and Answers / Re: problem in saving seperate bias nc file with different bias

« on: June 4, 2013, 17:35 »

Thank you very much for your help. And i find it's the energy point just several minutes ago. In fact, our team have made a plan to update the version soon.

3

General Questions and Answers / Re: problem in saving seperate bias nc file with different bias

« on: June 4, 2013, 15:28 »

Thanks for your help. It isn't promblem of the memory. First, my twoprobe system is not big, every time it stopped in the place of DDOS when i change the order of  calculation contents; second, many calculations can be done in this cpu with atk of 2008 version. In the calculation, we use the version of ATK 11.2.0.

4

General Questions and Answers / Re: problem in saving seperate bias nc file with different bias

« on: June 4, 2013, 03:27 »

No，I check it several times. 

5

General Questions and Answers / Re: problem in saving seperate bias nc file with different bias

« on: June 4, 2013, 00:51 »

the calculation "Stopped" as in it's hanging: Calculating DOS          :===========

6

General Questions and Answers / Re: problem in saving seperate bias nc file with different bias

« on: June 3, 2013, 04:01 »

Dear sir,
          Thank you very much for your help. Then i come across another problem in the calculation. The total energy， the transmission spectra, etc, can be calculated, howerer, the calculations stopped in the device density of states. In other word, the device density of states  can't be caculated. In the input.py, exchange_correlation = LSDA.PZ is set. Then what is the problem?  Thank you again for your help!
                  Sincerely,
                                  zhou.
            
  

7

General Questions and Answers / problem in saving seperate bias nc file with different bias

« on: June 1, 2013, 07:35 »

Dir sir:
    I come across the problem when i want to have seperate bias.nc file under different bias. The attacted files are the message of errors in calculation and the input file, respectively.
                 thanks
                                your sincerely.
                                                           zhou