Error in BSE calculation

Deals with issues related to computation of optical spectra in reciprocal space: RPA, TDDFT, local field effects.

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sdwang
Posts: 287
Joined: Fri Apr 09, 2010 12:30 pm

Error in BSE calculation

Post by sdwang » Sun May 30, 2010 2:08 am

Dear all:
When I perform BSE calculation, I have met the error message:
"[M 0.053 Gb] Alloc BS_W (0.013)forrtl: severe (67): input statement requires too much data, unit 44, file /home/sdwang/xxx/sih.save/./SAVE//db.pp"
What is this problem??

Thanks!
S D Wang
S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn

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andrea marini
Posts: 325
Joined: Mon Mar 16, 2009 4:27 pm
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Re: Error in BSE calculation

Post by andrea marini » Sun May 30, 2010 9:27 am

sdwang wrote:Dear all:
When I perform BSE calculation, I have met the error message:
"[M 0.053 Gb] Alloc BS_W (0.013)forrtl: severe (67): input statement requires too much data, unit 44, file /home/sdwang/xxx/sih.save/./SAVE//db.pp"
What is this problem??
Frankly speaking... except guessing that you are trying to read an incomplete database I have no idea of the reason of the problem. Follow the instructions written in the "RADME FIRST" post and post all the relevant informations.
Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)

sdwang
Posts: 287
Joined: Fri Apr 09, 2010 12:30 pm

Re: Error in BSE calculation

Post by sdwang » Sun May 30, 2010 10:08 am

I am very sorry for neglecting the rule!
I reduce the FFTGvecs and recalculate it, it dose well now.
Thanks!
S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn

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